NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1820 8.1727 122.0549 56.3177 34.1656 174.1846 2 V 4.6055 8.1677 126.6737 60.6895 32.2014 174.5194 3 F 4.5455 9.1267 127.7572 57.4691 40.1804 174.5760 4 E 4.4214 9.0616 119.3545 55.3074 31.6658 176.3812 5 R 3.5305 8.9533 118.8540 60.9607 30.2602 179.1450 6 C 4.4211 8.2119 115.8744 59.5156 34.9284 175.7576 7 E 3.9056 7.8310 121.2529 59.0131 29.2417 178.6088 8 L 3.6213 8.1327 120.2637 57.8835 42.1630 178.4315 9 A 3.9261 7.7681 120.7535 55.5880 18.3010 179.8094 10 R 3.9014 7.9609 116.1843 59.6309 30.1015 179.6067 11 T 3.8062 7.7134 115.1760 66.7681 68.6027 176.7667 12 L 3.8453 8.2228 121.1648 57.7498 41.6726 179.7357 13 K 3.9783 8.1617 119.7660 59.3772 31.9899 179.0746 14 R 4.0956 7.7488 114.9441 58.3725 29.4705 177.6238 15 L 4.4378 7.5255 118.6807 53.8976 41.7478 176.5075 16 G 3.8912 7.6558 106.2047 47.1153 0.0000 175.3798 17 M 3.9530 7.9031 121.3559 56.4038 32.4872 175.8894 18 D 4.4315 8.0306 118.0017 55.9775 41.1854 175.8921 19 G 3.9068 9.5718 116.2735 45.2094 0.0000 171.2751 20 Y 4.2184 8.2167 121.7262 58.4894 38.6548 175.9682 21 R 3.2613 8.8864 128.7163 57.4386 28.3151 176.8888 22 G 3.8326 8.2446 103.1055 45.1788 0.0000 174.0476 23 I 4.0167 7.3489 122.1347 59.3505 37.8528 175.9557 24 S 4.6788 8.2680 120.2766 57.4904 64.0985 174.8831 25 L 4.1842 9.0861 123.0048 58.5873 41.7416 179.2252 26 A 4.1355 8.1699 120.0639 55.3285 18.4277 179.2020 27 N 4.5059 8.2039 115.1526 56.1463 38.6686 177.7743 28 W 4.3190 8.0550 120.0569 59.8905 29.2230 178.3157 29 M 4.1252 8.5391 119.0160 58.6649 31.5288 177.9881 30 C 3.2706 8.0535 118.5161 59.0455 44.4663 175.3842 31 L 4.0174 7.9792 121.3931 58.2138 41.7538 178.8227 32 A 4.0902 8.0937 120.6516 54.9212 18.3922 179.3974 33 K 3.1880 8.2824 118.1170 59.5023 32.0857 179.0202 34 W 4.2525 7.8285 116.6644 59.1122 29.1354 178.2860 35 E 4.3442 8.4211 118.7643 58.7582 29.4361 177.7803 36 S 4.4938 8.1937 109.3004 56.9354 65.5172 175.1969 37 G 3.3923 7.9672 108.5884 46.4348 0.0000 173.3890 38 Y 3.7666 7.9332 114.2099 58.3779 34.8648 167.8568 39 N 5.3377 7.5926 118.9868 51.9311 39.8436 175.8581 40 T 3.9924 8.9302 117.3577 64.1549 69.0936 175.8448 41 R 4.3281 8.0230 119.8871 55.8827 30.4335 176.2129 42 A 4.4177 7.6956 121.6558 52.5257 19.3964 177.3699 43 T 5.4460 8.1751 109.3004 60.5765 72.3753 172.9824 44 N 4.8211 8.2990 121.0672 52.8966 42.2909 172.3266 45 Y 4.8116 8.7551 128.0465 56.9880 40.5277 174.3395 46 N 4.5723 8.3103 124.1951 51.2286 39.8284 175.3165 47 A 3.7695 8.4496 128.1108 54.9189 18.9924 178.7267 48 G 3.8499 8.2172 104.0175 48.4085 0.0000 173.9031 49 D 4.7231 7.8294 116.9994 51.8319 39.8024 176.3389 50 R 3.9320 7.4333 116.4308 57.5515 28.3007 175.8328 51 S 4.8867 7.1431 111.8383 57.0725 66.4405 172.5606 52 T 5.0543 8.9710 115.4931 61.9929 72.9322 173.0459 53 D 5.3180 8.9933 125.3403 53.3444 43.1092 175.1579 54 Y 4.8879 8.9737 120.2056 57.5159 41.6013 177.0311 55 G 4.1193 8.9147 110.3034 45.8110 0.0000 173.5151 56 M 4.3792 8.3368 116.3388 57.6331 32.1284 177.3963 57 F 4.5548 7.9058 114.0236 56.6094 40.2374 175.2539 58 Q 3.5950 7.5300 118.7621 57.0930 26.3363 173.8676 59 I 4.3806 8.3809 118.9962 60.4528 38.8079 176.8822 60 N 5.2890 9.2019 127.1328 53.8876 39.5052 175.7858 61 S 4.6106 9.1189 120.5765 60.4880 63.4053 175.5270 62 R 3.7748 8.5660 121.9575 58.6129 30.3970 177.8272 63 Y 4.2852 7.6890 114.4580 57.6550 40.7917 176.9205 64 W 4.8703 7.9326 119.0937 57.7827 30.8618 174.1296 65 C 5.8107 8.0972 111.9477 52.4695 42.1798 172.3865 66 N 5.2224 9.0000 119.2056 52.1941 39.8324 174.8028 67 D 4.6933 8.9489 124.2988 52.3997 40.5625 177.2539 68 G 4.0174 8.5091 108.3192 45.8745 0.0000 174.2422 69 K 4.6376 8.4601 117.1816 56.4461 33.2833 175.6307 70 T 4.5827 7.8680 115.6037 61.4661 70.3047 172.5412 71 P 4.2684 0.0000 0.0000 63.4956 31.8630 176.3195 72 G 3.8414 8.7235 110.4512 46.4199 0.0000 173.5799 73 A 4.2548 7.9235 121.2690 51.4598 19.1487 177.8227 74 V 4.4159 8.1349 120.3429 61.1620 35.0506 175.1826 75 N 4.9489 8.0383 117.8299 51.6403 38.6220 174.5781 76 A 3.8809 8.2551 123.6068 55.4864 19.0878 178.7096 77 C 4.4686 8.3946 111.5010 57.8044 41.1189 173.1022 78 H 4.0806 8.2553 116.6749 55.7292 26.0076 173.6281 79 L 4.5243 7.2854 117.6641 54.4129 43.5691 174.8014 80 S 4.5857 8.4358 114.7551 58.0296 63.1151 175.7515 81 C 3.9342 8.9956 125.9086 59.9485 35.1257 176.2594 82 S 3.9188 7.9163 114.2500 61.3553 61.7283 175.7938 83 A 4.1731 7.9720 121.9894 54.1268 18.2240 177.8403 84 L 4.4854 7.7567 116.8900 54.8451 41.8195 177.5296 85 L 5.5638 7.7073 116.5831 53.7711 42.3104 176.5123 86 Q 4.5172 7.7693 117.5226 54.7626 30.0223 175.7964 87 D 4.3906 8.5912 119.8592 57.0154 41.0714 176.4321 88 N 4.6818 8.0061 118.0565 52.6739 38.8951 174.6629 89 I 4.1673 8.4179 119.2277 61.2448 37.9623 176.8661 90 A 3.9439 8.3239 124.7877 56.0492 18.0878 179.9274 91 D 4.3120 8.0636 116.3874 57.2697 41.0308 178.6407 92 A 4.0859 7.9610 120.9603 55.0241 18.3744 179.7011 93 V 3.1851 7.9735 116.5199 66.0516 31.5143 178.0135 94 A 3.7867 7.6100 120.0816 55.4363 18.3022 178.7779 95 C 4.2270 8.2247 116.4411 59.3352 38.6813 175.6211 96 A 3.8853 7.8206 122.7512 54.7958 17.6064 179.7242 97 K 3.7782 7.7179 116.6694 59.3835 32.3432 179.2713 98 R 4.0813 7.6648 119.2792 59.2089 29.8909 178.6538 99 V 2.4445 7.2415 117.7178 65.6811 31.2143 177.8814 100 V 3.9283 7.4082 108.1843 62.5157 31.5430 177.8100 101 R 4.2205 7.6779 117.9144 57.2379 30.6162 176.6384 102 D 4.6686 7.3271 119.1604 52.9020 41.5592 175.2764 103 P 4.2309 0.0000 0.0000 66.1596 30.9342 177.5769 104 Q 3.9731 8.1317 119.2632 56.5982 30.2975 176.7029 105 G 3.9715 7.9877 106.8924 45.8224 0.0000 174.8709 106 I 3.7857 7.7452 118.9714 63.0751 38.0801 178.2009 107 R 4.4002 7.2380 116.4397 58.0115 30.0418 177.4199 108 A 4.1380 7.7156 121.2677 54.5026 18.6548 178.4228 109 W 4.7292 8.2791 116.8209 55.7369 30.0695 177.5079 110 V 3.7240 8.7454 124.1669 66.0399 30.9658 177.6408 111 A 3.9931 8.2290 120.0658 54.8447 18.2253 179.2244 112 W 3.9816 8.3502 126.3263 60.6951 30.6748 178.1853 113 R 3.6236 7.8922 116.2485 59.4607 29.6236 178.5931 114 N 4.3735 8.1656 114.9785 55.1868 38.6323 176.7280 115 R 4.0530 7.7725 116.9145 55.6936 32.0095 175.8327 116 C 4.4961 7.9048 115.5008 57.7371 42.4918 174.3771 117 Q 3.1727 6.2976 119.2605 57.3164 28.5669 176.0795 118 N 4.3140 8.7029 120.4852 53.6102 36.3823 173.9829 119 R 4.5643 7.1330 116.5084 53.8645 32.5325 175.3782 120 D 4.4961 8.5092 119.9715 54.6764 41.4779 176.3199 121 V 4.7776 8.3519 118.3887 61.3032 33.1302 177.8244 122 R 4.0790 8.4573 122.8540 58.9285 30.0168 179.0152 123 Q 3.9912 8.1617 116.0110 59.2592 28.4934 178.3621 124 Y 4.0389 7.4793 115.3643 60.1299 38.1391 177.0761 125 V 4.4471 7.8477 110.0996 60.5355 33.5845 175.3809 126 Q 4.1953 7.5695 120.3172 57.3946 28.5982 176.6272 127 G 4.0365 9.1588 111.4791 45.4985 0.0000 174.2807 128 C 4.5136 8.0238 115.8630 56.1886 40.8691 173.8137 129 G 3.9012 7.9485 107.1851 46.7395 0.0000 174.1284 130 V 3.9807 7.9228 117.6611 61.0762 31.8620 176.1658 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 K 8.17 4.18 0.00 1.86 1.68 0.00 1.27 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.18 7.81 2 V 8.17 4.61 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.13 4.55 0.00 2.81 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 4 E 9.06 4.42 0.00 2.15 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 0.00 2.24 2.37 0.00 5 R 8.95 3.53 0.00 2.08 1.98 0.00 3.42 0.00 0.00 3.48 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 6 C 8.21 4.42 0.00 3.18 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 7 E 7.83 3.91 0.00 2.01 2.24 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 2.58 2.38 0.00 8 L 8.13 3.62 0.00 1.43 1.42 0.18 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 3.93 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 10 R 7.96 3.90 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 11 T 7.71 3.81 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 1.19 0.00 0.00 12 L 8.22 3.85 0.00 1.55 1.58 0.90 0.59 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 13 K 8.16 3.98 0.00 1.85 2.06 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 R 7.75 4.10 0.00 2.01 2.04 0.00 3.10 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 15 L 7.53 4.44 0.00 1.52 1.59 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.66 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.90 3.95 0.00 1.30 2.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 18 D 8.03 4.43 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.57 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 20 Y 8.22 4.22 0.00 3.39 3.29 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 21 R 8.89 3.26 0.00 1.36 1.82 0.00 3.24 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 22 G 8.24 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 23 I 7.35 4.02 1.70 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.74 -0.26 0.00 0.00 24 S 8.27 4.68 0.00 4.06 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 25 L 9.09 4.18 0.00 2.13 1.81 0.99 1.10 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 26 A 8.17 4.14 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.20 4.51 0.00 2.84 2.72 0.00 0.00 7.07 7.80 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 28 W 8.05 4.32 0.00 3.53 3.08 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 0.00 0.00 0.00 29 M 8.54 4.13 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.99 0.00 30 C 8.05 3.27 0.00 2.65 3.18 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 0.00 0.00 0.00 31 L 7.98 4.02 0.00 1.85 1.93 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.09 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.28 3.19 0.00 1.92 1.89 0.00 0.77 0.00 0.00 1.17 0.00 0.00 2.83 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.48 0.86 7.81 34 W 7.83 4.25 0.00 3.34 3.30 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 35 E 8.42 4.34 0.00 2.12 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 0.00 2.58 2.36 0.00 36 S 8.19 4.49 0.00 4.08 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 37 G 7.97 3.39 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 0.00 38 Y 7.93 3.77 0.00 3.21 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 39 N 7.59 5.34 0.00 2.85 2.80 0.00 0.00 7.01 7.10 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 40 T 8.93 3.99 4.42 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 1.43 0.00 0.00 41 R 8.02 4.33 0.00 1.99 2.02 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 A 7.70 4.42 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 43 T 8.18 5.45 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 1.24 0.00 0.00 44 N 8.30 4.82 0.00 2.91 2.74 0.00 0.00 6.62 7.76 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 45 Y 8.76 4.81 0.00 2.94 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 46 N 8.31 4.57 0.00 2.54 2.59 0.00 0.00 6.99 7.88 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 47 A 8.45 3.77 1.36 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 48 G 8.22 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 49 D 7.83 4.72 0.00 2.73 2.81 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 50 R 7.43 3.93 0.00 1.99 2.09 0.00 3.15 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 51 S 7.14 4.89 0.00 3.94 3.88 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 52 T 8.97 5.05 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 0.66 0.00 0.00 53 D 8.99 5.32 0.00 2.71 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 54 Y 8.97 4.89 0.00 3.03 2.87 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 55 G 8.91 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 0.00 0.00 0.00 56 M 8.34 4.38 0.00 1.32 1.86 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.68 0.00 57 F 7.91 4.55 0.00 3.22 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 58 Q 7.53 3.59 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.80 0.00 59 I 8.38 4.38 2.13 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 1.43 1.12 1.10 0.00 0.00 60 N 9.20 5.29 0.00 3.05 3.01 0.00 0.00 6.92 7.98 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 61 S 9.12 4.61 0.00 4.07 4.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.77 0.00 1.66 1.57 0.00 2.84 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 63 Y 7.69 4.29 0.00 1.83 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 0.00 0.00 0.00 64 W 7.93 4.87 0.00 3.48 3.28 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 65 C 8.10 5.81 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.00 5.22 0.00 2.85 2.71 0.00 0.00 7.11 9.28 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 67 D 8.95 4.69 0.00 2.87 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 68 G 8.51 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 0.00 0.00 0.00 69 K 8.46 4.64 0.00 1.88 1.87 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.54 7.81 70 T 7.87 4.58 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 71 P 0.00 4.27 0.00 2.01 1.98 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.92 4.25 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 74 V 8.13 4.42 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 0.73 0.00 0.00 0.93 0.00 0.00 75 N 8.04 4.95 0.00 2.76 2.61 0.00 0.00 6.89 7.69 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 76 A 8.26 3.88 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 77 C 8.39 4.47 0.00 3.45 3.25 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 78 H 8.26 4.08 0.00 3.27 3.38 0.00 5.88 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 79 L 7.29 4.52 0.00 1.83 1.74 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.44 4.59 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 9.00 3.93 0.00 2.14 1.36 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 82 S 7.92 3.92 0.00 3.83 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 83 A 7.97 4.17 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 84 L 7.76 4.49 0.00 1.92 1.80 1.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.71 5.56 0.00 1.80 1.70 1.09 1.20 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 86 Q 7.77 4.52 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 7.33 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 87 D 8.59 4.39 0.00 2.66 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 88 N 8.01 4.68 0.00 2.70 2.77 0.00 0.00 6.99 7.96 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 89 I 8.42 4.17 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.87 0.00 0.00 90 A 8.32 3.94 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 91 D 8.06 4.31 0.00 2.71 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 A 7.96 4.09 1.49 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 93 V 7.97 3.19 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 0.74 0.00 0.00 0.86 0.00 0.00 94 A 7.61 3.79 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 95 C 8.22 4.23 0.00 3.13 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.82 3.89 0.69 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 97 K 7.72 3.78 0.00 1.61 1.43 0.00 1.28 0.00 0.00 0.78 0.00 0.00 2.27 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.66 4.08 0.00 1.92 2.08 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 99 V 7.24 2.44 1.70 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 -0.23 0.00 0.00 -0.54 0.00 0.00 100 V 7.41 3.93 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 1.02 0.00 0.00 1.48 0.00 0.00 101 R 7.68 4.22 0.00 2.12 2.05 0.00 3.25 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 102 D 7.33 4.67 0.00 3.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 104 Q 8.13 3.97 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 5.81 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 105 G 7.99 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 0.00 106 I 7.75 3.79 1.05 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.88 -0.85 0.00 0.00 107 R 7.24 4.40 0.00 2.13 2.08 0.00 3.37 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 108 A 7.72 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.28 4.73 0.00 3.55 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 0.00 110 V 8.75 3.72 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 1.17 0.00 0.00 1.02 0.00 0.00 111 A 8.23 3.99 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 0.00 112 W 8.35 3.98 0.00 3.40 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 0.00 113 R 7.89 3.62 0.00 2.06 1.99 0.00 3.45 0.00 0.00 3.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.15 0.00 114 N 8.17 4.37 0.00 2.54 2.70 0.00 0.00 6.91 7.21 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 0.00 115 R 7.77 4.05 0.00 0.76 0.66 0.00 2.62 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.33 0.00 116 C 7.90 4.50 0.00 1.66 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 0.00 117 Q 6.30 3.17 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.51 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 118 N 8.70 4.31 0.00 2.80 2.89 0.00 0.00 6.96 7.63 0.00 0.00 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 R 7.13 4.56 0.00 1.78 1.79 0.00 3.18 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 120 D 8.51 4.50 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.78 2.39 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 0.87 0.00 0.00 1.06 0.00 0.00 122 R 8.46 4.08 0.00 2.09 2.01 0.00 3.17 0.00 0.00 3.61 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 123 Q 8.16 3.99 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.81 0.00 0.00 0.00 0.00 0.00 2.05 1.45 0.00 124 Y 7.48 4.04 0.00 3.21 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 0.00 125 V 7.85 4.45 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 0.87 0.00 0.00 1.08 0.00 0.00 126 Q 7.57 4.20 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 5.67 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 127 G 9.16 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 0.00 128 C 8.02 4.51 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 0.00 129 G 7.95 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 0.00 130 V 7.92 3.98 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 0.74 0.00 0.00 0.97 0.00 0.00