NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3823 8.3049 120.3502 55.2208 33.3815 174.3730 1 D 4.5216 8.3009 120.5743 53.2216 42.0172 174.3425 2 I 4.3117 9.7734 123.6945 60.5868 39.7694 175.3790 3 I 4.6410 8.2810 126.5954 59.9684 40.1255 174.2857 4 L 4.9083 9.2421 127.5295 52.9084 45.5060 176.2543 5 G 4.5103 8.3744 107.3688 45.0045 0.0000 171.9403 6 I 4.6679 8.9710 124.4642 59.0196 41.5699 173.7973 7 R 4.8248 8.7488 129.7789 55.3543 30.8240 175.3697 8 V 4.3546 8.0552 123.5633 60.1155 34.1197 175.1719 9 Q 4.1595 8.9477 120.9245 60.0258 28.7304 178.5266 10 D 5.1060 7.7577 113.2609 53.3583 42.3105 174.9249 11 S 4.6807 7.5582 113.0762 57.7767 65.2956 173.3437 12 V 4.8643 8.2982 120.0464 61.1510 33.7916 174.3581 13 I 4.6147 9.0659 128.2317 59.4811 39.9896 174.4706 14 L 5.1941 8.5489 125.1297 52.8546 44.6991 175.5227 15 A 4.8065 8.8580 125.6410 50.1813 21.7123 175.2261 16 S 5.1512 8.4550 117.8331 56.3273 66.5727 174.3767 17 S 4.2996 8.6153 119.7206 59.1857 63.1515 174.5255 18 K 4.8909 8.9187 118.2897 55.9054 33.6296 176.2341 19 A 4.6093 7.9271 122.1624 51.7704 19.6586 177.5841 20 V 4.2497 8.8228 120.3716 61.7067 34.2566 174.0580 21 T 4.9121 8.5220 124.3618 61.9622 70.5962 175.3338 22 R 4.4351 8.7080 124.7092 54.7952 33.0701 177.5312 23 G 3.8387 8.9183 117.4164 46.5975 0.0000 173.4405 24 I 4.0135 8.9783 123.8869 61.8237 39.0417 174.5650 25 S 4.7338 7.7814 115.3555 56.5629 65.1842 173.5307 26 V 4.2873 7.9626 123.2304 61.2270 30.2316 175.5081 27 L 4.1602 8.2388 127.5209 57.0076 42.0185 177.9796 28 K 4.6775 7.6505 117.5109 55.1244 35.1031 175.1766 29 D 5.2737 8.6425 121.9674 52.8715 40.2002 175.5429 30 S 4.7687 7.7958 112.8768 58.3827 62.7997 173.1868 31 D 4.6032 8.4652 120.6655 54.7310 42.7769 174.6857 32 D 4.8555 8.6587 126.0381 51.9894 41.7265 176.6576 33 K 4.0381 7.8221 131.6091 55.5299 31.8233 176.3785 34 T 4.9718 6.9765 110.7367 60.8798 71.4277 173.6756 35 R 4.7949 9.0697 123.9862 54.5722 35.3641 173.9569 36 Q 4.6030 8.6102 123.9853 55.1302 29.7656 176.2922 37 L 4.0720 8.7237 128.1136 57.3555 42.2420 177.0966 38 S 4.6150 7.6565 110.7857 56.0254 65.6337 172.8528 39 P 4.6507 0.0000 0.0000 64.9638 30.7181 176.7119 40 H 4.9238 9.2792 114.4744 55.2914 29.6299 172.7063 41 T 5.0623 8.2857 116.8593 61.8044 72.3309 172.7089 42 L 5.1438 9.6559 128.8977 53.3505 45.7793 174.6450 43 M 5.4019 8.9503 124.2484 53.9111 35.5190 174.2695 44 S 5.1567 9.0506 121.0314 57.0155 66.0701 172.9159 45 F 5.6479 7.4678 114.4046 56.1539 41.0344 173.2342 46 A 4.7157 9.1845 120.8535 50.4903 22.6799 176.7471 47 G 3.6732 8.7391 106.2756 44.9752 0.0000 172.0176 48 E 3.8307 8.7822 123.2010 57.0239 29.4885 178.4404 49 A 3.6594 7.7859 126.4522 55.1599 19.7975 179.0981 50 G 3.8231 8.0077 100.7682 47.0454 0.0000 175.3363 51 D 4.5956 8.1689 120.6439 57.4272 40.8845 178.2070 52 T 3.7623 7.8241 113.4141 65.5755 67.2591 176.2027 53 V 3.2066 7.5636 119.2155 65.7003 31.7378 177.7406 54 Q 4.0101 7.8383 117.7563 59.0213 28.5183 178.9450 55 F 3.7279 8.4311 121.4500 61.0272 39.3291 176.8541 56 A 3.7022 7.4107 119.8383 55.3823 18.0768 179.5775 57 E 3.8507 8.3632 117.2504 59.4077 29.5453 179.0880 58 Y 4.0599 7.7635 119.7746 60.7386 38.8908 178.0366 59 I 3.3691 7.5617 120.9922 64.0430 37.0455 178.0633 60 Q 3.8230 8.1628 120.4487 59.1788 28.8643 178.0664 61 A 3.9230 7.9338 121.6598 55.4619 18.3687 179.3410 62 N 4.1186 7.6828 114.2678 56.5494 38.5230 177.7868 63 I 3.5203 7.6093 121.1019 64.2667 37.1303 178.5292 64 Q 3.9522 8.2092 119.1129 58.9095 28.5608 178.5780 65 L 3.9512 8.0630 121.4212 58.2010 42.0210 178.4772 66 Y 3.7948 7.9404 119.5261 60.6432 38.6917 177.8739 67 S 5.0232 8.2846 117.5896 61.4363 62.7745 176.9872 68 I 3.7395 7.6033 120.9609 64.1566 36.8819 178.2180 69 R 3.9482 7.8156 118.9227 58.8741 30.0719 177.5782 70 E 4.2205 8.0021 115.1359 54.9575 30.9831 175.0867 71 D 4.4545 8.1950 118.4284 54.3097 40.4297 171.7671 72 Y 4.6702 7.3458 117.2842 56.6883 42.0992 172.1648 73 E 4.6574 7.7028 124.8672 53.8381 30.8399 175.8013 74 L 4.1272 8.4113 126.7074 54.7266 42.4518 178.0421 75 S 4.3230 8.3919 116.6870 57.7743 64.9984 173.6582 76 P 4.2490 0.0000 0.0000 65.7886 31.0604 178.8105 77 Q 3.9141 8.0236 117.7307 59.0333 29.0779 178.0178 78 A 3.9575 7.8957 121.8125 55.2215 18.4655 179.7553 79 V 3.5413 8.1391 117.4816 66.1665 31.4926 178.4218 80 S 4.2599 8.4599 114.2865 61.4411 62.8915 176.7212 81 S 4.1471 8.2250 118.9684 61.2278 62.5823 176.2815 82 F 4.1119 8.3780 123.4449 61.3829 39.2327 177.4258 83 V 3.5701 8.0758 117.9163 65.7388 31.2288 177.9426 84 R 3.8622 8.3830 118.9536 59.5198 30.1082 178.0984 85 Q 3.9179 8.0954 119.2813 59.2946 28.9521 178.1966 86 E 3.9534 7.8714 119.2909 59.6461 29.5186 179.5045 87 L 4.0099 7.9921 118.4650 57.6980 41.4373 179.4551 88 A 4.0135 8.1153 120.0011 54.6169 18.5979 179.7637 89 K 4.0507 7.9677 117.1598 59.7680 32.2668 179.1629 90 S 4.0609 8.0529 113.4186 61.7236 61.9710 176.0937 90A I 3.7320 7.8411 120.0918 63.2796 37.6330 176.5301 90B R 4.4512 7.5417 116.3251 55.7230 30.1290 176.0669 91 S 4.5724 7.4268 114.4149 56.5625 65.0763 174.1026 92 R 3.8927 8.5572 119.7381 59.0089 29.5476 177.0174 93 R 4.3560 7.3371 120.5294 53.0594 30.6297 172.5049 94 P 4.3220 0.0000 0.0000 62.2751 32.0747 175.9756 95 Y 4.2768 8.9856 120.3729 58.2343 38.3469 176.9701 96 Q 4.4789 8.2948 126.3653 54.3345 27.5248 173.9424 97 V 4.8649 7.4670 119.3593 60.9109 35.1937 173.9630 98 N 5.1918 9.4397 124.7269 51.7501 41.4364 174.1090 99 V 5.1827 8.3077 113.8616 59.8386 36.4500 174.4859 100 L 4.8410 8.8228 121.8660 53.0521 44.8923 175.6250 101 I 4.8171 8.6349 124.1851 59.5214 39.5863 174.9826 102 G 4.2007 9.4301 115.4417 44.3586 0.0000 172.1535 103 G 4.6020 8.6004 110.5748 45.1239 0.0000 171.1941 104 Y 4.5191 8.6009 123.0074 55.3884 40.2096 175.2801 105 D 4.3705 8.0265 125.2362 54.4660 41.3925 175.6213 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 M 8.30 4.38 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 1 D 8.30 4.52 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 9.77 4.31 1.85 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 1.22 0.85 0.90 0.00 0.00 3 I 8.28 4.64 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.90 0.00 0.00 4 L 9.24 4.91 0.00 1.49 1.51 0.91 0.66 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 5 G 8.37 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.97 4.67 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 1.12 1.34 0.95 0.00 0.00 7 R 8.75 4.82 0.00 1.85 1.83 0.00 3.26 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 8 V 8.06 4.35 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 0.71 0.00 0.00 1.02 0.00 0.00 9 Q 8.95 4.16 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.34 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 10 D 7.76 5.11 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.56 4.68 0.00 3.98 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 12 V 8.30 4.86 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 0.90 0.00 0.00 1.02 0.00 0.00 13 I 9.07 4.61 1.87 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 1.24 0.92 0.91 0.00 0.00 14 L 8.55 5.19 0.00 1.45 1.51 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.86 4.81 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 16 S 8.46 5.15 0.00 3.60 3.60 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 17 S 8.62 4.30 0.00 3.88 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 18 K 8.92 4.89 0.00 1.74 1.88 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.25 7.81 19 A 7.93 4.61 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 V 8.82 4.25 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 1.00 0.00 0.00 0.96 0.00 0.00 21 T 8.52 4.91 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 1.25 0.00 0.00 22 R 8.71 4.44 0.00 1.73 1.84 0.00 3.41 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 23 G 8.92 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 24 I 8.98 4.01 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 1.42 0.89 0.91 0.00 0.00 25 S 7.78 4.73 0.00 3.90 3.72 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 26 V 7.96 4.29 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 0.85 0.00 0.00 0.94 0.00 0.00 27 L 8.24 4.16 0.00 1.80 1.73 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.65 4.68 0.00 1.74 1.59 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.43 7.81 29 D 8.64 5.27 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.80 4.77 0.00 3.83 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 31 D 8.47 4.60 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.66 4.86 0.00 2.71 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 33 K 7.82 4.04 0.00 1.55 1.33 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.40 7.81 34 T 6.98 4.97 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 1.32 0.00 0.00 35 R 9.07 4.79 0.00 1.85 1.79 0.00 3.38 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 36 Q 8.61 4.60 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 37 L 8.72 4.07 0.00 1.67 1.65 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.66 4.62 0.00 3.99 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 39 P 0.00 4.65 0.00 2.04 2.21 0.00 3.35 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.98 0.00 40 H 9.28 4.92 0.00 3.30 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.29 5.06 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 1.27 0.00 0.00 42 L 9.66 5.14 0.00 1.68 1.47 0.96 -0.19 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 43 M 8.95 5.40 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 44 S 9.05 5.16 0.00 3.76 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 45 F 7.47 5.65 0.00 3.13 3.16 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 46 A 9.18 4.72 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 47 G 8.74 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 48 E 8.78 3.83 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 2.39 2.40 0.00 49 A 7.79 3.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.01 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 0.00 0.00 0.00 51 D 8.17 4.60 0.00 2.79 3.03 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 52 T 7.82 3.76 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 53 V 7.56 3.21 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 1.08 0.00 0.00 1.01 0.00 0.00 54 Q 7.84 4.01 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 55 F 8.43 3.73 0.00 2.31 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 56 A 7.41 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.36 3.85 0.00 1.98 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 2.32 2.43 0.00 58 Y 7.76 4.06 0.00 3.08 3.02 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 59 I 7.56 3.37 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.05 0.86 0.00 0.00 60 Q 8.16 3.82 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 61 A 7.93 3.92 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 62 N 7.68 4.12 0.00 2.70 2.50 0.00 0.00 7.09 6.94 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 63 I 7.61 3.52 1.75 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.85 0.00 0.00 64 Q 8.21 3.95 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 65 L 8.06 3.95 0.00 1.72 1.79 0.90 0.69 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 66 Y 7.94 3.79 0.00 3.12 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 67 S 8.28 5.02 0.00 4.11 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 68 I 7.60 3.74 1.85 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 1.40 0.46 0.89 0.00 0.00 69 R 7.82 3.95 0.00 1.76 1.83 0.00 2.98 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 70 E 8.00 4.22 0.00 1.73 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 2.04 2.19 0.00 71 D 8.20 4.45 0.00 2.75 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 72 Y 7.35 4.67 0.00 3.21 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.70 4.66 0.00 1.84 1.62 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 2.13 2.26 0.00 74 L 8.41 4.13 0.00 1.45 1.41 -0.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.39 4.32 0.00 4.02 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 76 P 0.00 4.25 0.00 2.15 2.13 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 77 Q 8.02 3.91 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 78 A 7.90 3.96 1.33 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 0.00 0.00 0.00 79 V 8.14 3.54 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 1.04 0.00 0.00 0.82 0.00 0.00 80 S 8.46 4.26 0.00 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.23 4.15 0.00 4.10 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 82 F 8.38 4.11 0.00 3.05 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.08 3.57 2.30 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 1.14 0.00 0.00 1.08 0.00 0.00 84 R 8.38 3.86 0.00 2.02 2.03 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 85 Q 8.10 3.92 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 86 E 7.87 3.95 0.00 2.28 2.23 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 1.70 2.21 0.00 87 L 7.99 4.01 0.00 1.86 1.66 0.90 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.12 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.97 4.05 0.00 2.08 1.87 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 90 S 8.05 4.06 0.00 4.08 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 90A I 7.84 3.73 2.00 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 1.50 1.18 0.90 0.00 0.00 90B R 7.54 4.45 0.00 1.85 1.89 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 91 S 7.43 4.57 0.00 3.92 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 92 R 8.56 3.89 0.00 1.74 1.94 0.00 3.14 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 93 R 7.34 4.36 0.00 1.67 1.65 0.00 3.25 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 94 P 0.00 4.32 0.00 2.03 2.01 0.00 3.66 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 1.98 2.19 0.00 95 Y 8.99 4.28 0.00 2.67 2.49 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 96 Q 8.29 4.48 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 97 V 7.47 4.86 1.63 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 0.87 0.00 0.00 0.87 0.00 0.00 98 N 9.44 5.19 0.00 2.64 2.69 0.00 0.00 6.49 7.72 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 99 V 8.31 5.18 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 0.98 0.00 0.00 1.06 0.00 0.00 100 L 8.82 4.84 0.00 1.58 1.54 0.89 0.61 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 0.00 101 I 8.63 4.82 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.94 0.00 0.00 102 G 9.43 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 0.00 0.00 0.00 0.00 103 G 8.60 4.60 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 0.00 0.00 0.00 104 Y 8.60 4.52 0.00 3.03 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 0.00 105 D 8.03 4.37 0.00 2.53 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