NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3209 8.3044 120.3216 54.8813 33.4275 174.1589 2 V 3.9802 7.9738 120.7793 62.2824 32.4247 173.7248 3 K 4.4095 9.3503 128.3920 55.5424 34.1681 175.1226 4 Q 4.5375 8.6736 126.7347 55.2227 29.6989 174.7416 5 I 4.2640 8.4440 128.8553 59.9807 38.1645 176.1482 6 E 4.7244 8.3238 127.9616 55.2250 31.0164 176.1626 7 S 4.6303 7.4590 111.1166 56.8913 66.2922 176.4513 8 K 4.0690 8.0866 123.6106 59.7557 31.9985 179.4170 9 T 3.9011 7.8920 115.7168 66.5355 68.4818 176.4016 10 A 4.0174 8.5490 123.1733 54.8354 18.4510 179.5302 11 F 4.0506 8.1839 119.0255 61.6374 39.5530 177.3915 12 Q 3.8467 8.0550 117.3996 58.8989 28.5270 178.6337 13 E 3.8901 8.2815 119.3029 59.5318 29.4324 179.4033 14 A 4.0451 7.8438 120.5964 55.0520 18.1314 179.7191 15 L 3.6765 7.2313 116.5379 57.6305 41.7462 178.9675 16 D 4.3610 7.9939 117.8120 57.2767 41.1145 177.8518 17 A 4.1707 8.2262 118.5499 53.6614 18.7250 178.7860 18 A 4.0539 7.9199 119.9319 50.6536 18.4183 181.4684 19 G 3.8686 8.0852 105.0298 46.9278 0.0000 174.7436 20 D 4.4616 9.2904 121.5846 56.1321 42.1072 175.8918 21 K 4.1390 7.7186 117.5534 56.0832 32.7530 175.9396 22 L 4.4654 8.2373 123.1770 54.8033 43.7433 175.3473 23 V 4.6835 8.9591 126.1799 61.0441 34.2972 174.1412 24 V 4.4461 8.5906 128.2197 61.0660 33.8734 174.0790 25 V 4.7017 8.7963 128.7157 61.1806 33.9221 173.6942 26 D 4.6841 8.9633 128.2633 52.5723 42.8645 175.0667 27 F 4.8890 8.7972 127.2662 56.3864 40.3703 175.3500 28 S 4.8628 8.6813 118.0600 56.4290 67.2604 172.5142 29 A 4.7476 7.6966 119.6702 50.2909 21.5123 177.7180 30 T 3.7768 7.9401 113.1630 63.9930 68.9160 175.6343 31 W 4.4016 7.4021 117.7353 58.0718 28.7284 176.4324 32 C 4.2435 6.9375 121.0382 58.8183 31.6546 173.4614 33 G 3.5940 8.8469 115.6597 47.4924 0.0000 173.0808 34 P 4.2591 0.0000 0.0000 65.4566 31.1838 178.3472 35 C 4.0608 7.2974 113.9175 62.8074 28.0771 176.0933 36 K 4.1249 8.2033 120.0846 59.4091 31.4268 179.0583 37 M 4.0533 7.9762 117.2161 58.4685 32.6191 177.2016 38 I 4.2391 7.7673 116.4333 61.3205 38.3740 177.1268 39 K 4.0806 7.8193 120.6703 60.0680 32.0121 176.6252 40 P 4.2931 0.0000 0.0000 65.6334 31.2896 178.3528 41 F 4.1823 8.3479 119.0012 61.2623 39.1826 176.7820 42 F 4.1317 8.4333 119.4406 61.5609 39.5149 176.6007 43 H 4.0701 8.5551 116.2363 58.6328 28.4468 177.7327 44 S 3.9953 8.2287 116.4519 61.4404 62.4769 176.4462 45 L 3.6966 7.4114 123.9455 57.6865 41.5257 179.1037 46 S 2.7900 6.4167 112.5228 60.5114 62.8164 175.7230 47 E 4.1027 7.6017 120.6547 57.9890 29.5779 178.0280 48 K 4.1648 7.3537 119.0635 57.6427 33.0697 176.5348 49 Y 4.5498 8.0634 119.6960 56.2566 38.5924 176.2403 50 S 4.5071 8.5180 119.3516 59.2832 63.9750 174.8296 51 N 4.7742 8.1701 117.7429 52.8344 37.4885 174.5313 52 V 4.4855 7.3392 117.6249 61.3947 34.6434 174.7069 53 I 4.2518 8.5331 128.7944 60.3791 38.7884 174.5399 54 F 5.1348 8.8582 125.6979 55.7539 41.2682 174.5142 55 L 5.3283 9.4598 124.1169 52.9340 45.0046 175.3453 56 E 4.9387 9.1428 121.7747 54.5081 32.9748 175.0555 57 V 4.3969 8.3988 124.6103 60.8720 34.5847 173.7693 58 D 4.9510 8.5685 128.6073 53.6828 41.6388 177.2928 59 V 3.6760 8.8751 120.7371 64.8147 31.6988 177.9045 60 D 4.5288 8.8219 120.3510 57.6085 40.9746 177.6121 61 D 4.4854 8.4550 117.0605 57.2717 41.3960 177.1050 62 C 4.8288 7.8265 117.6913 58.0570 27.4938 174.5826 63 Q 4.1115 7.9496 122.3258 58.6874 28.7952 177.9275 64 D 4.3072 7.9668 120.0473 56.4064 39.6016 178.7156 65 V 3.4646 7.6571 119.0280 65.2563 31.7260 177.5775 66 A 3.7250 8.0785 120.6673 55.2788 18.2737 179.7418 67 S 3.9950 8.2073 113.6768 61.9712 62.7688 177.0297 68 E 4.0490 8.0201 119.4104 58.9027 29.2043 178.1795 69 C 4.4437 7.7455 114.4549 58.3453 28.9468 173.0808 70 E 3.6902 7.8645 119.2753 57.1255 27.3043 175.3045 71 V 3.6968 7.1604 116.7700 62.4482 32.3450 175.5272 72 K 4.5384 8.3517 122.2258 56.1727 34.3618 175.6863 73 C 4.9399 7.8870 115.2419 57.8238 31.2884 172.5479 74 M 4.5460 8.1966 120.1049 53.0511 34.6067 173.2162 75 P 4.5958 0.0000 0.0000 62.4935 33.9024 174.7031 76 T 4.6586 8.0124 117.0632 61.6849 71.9631 172.9331 77 F 5.1261 8.5423 124.8822 55.7365 41.5544 174.4989 78 Q 5.1213 8.8746 122.7240 54.0713 31.9824 174.4826 79 F 5.2720 9.0091 121.9738 55.7787 41.6635 174.7073 80 F 5.3676 9.6158 121.9860 55.5859 43.1171 174.3658 81 K 4.6053 9.0609 123.5259 54.6941 35.0355 176.3621 82 K 3.8934 9.4614 129.2024 57.6377 29.1463 176.8575 83 G 3.9637 8.0535 103.8646 45.8289 0.0000 172.5571 84 Q 4.6544 7.7014 121.2890 53.8458 30.6189 174.3761 85 K 3.9794 8.6647 126.4639 56.4538 32.6252 176.5329 86 V 4.3829 8.3425 118.3020 60.7643 33.1518 175.3131 87 G 4.1024 7.2619 106.2198 45.7970 0.0000 172.1918 88 E 5.9800 9.1323 117.9992 56.2312 32.2513 175.0797 89 F 5.2141 8.1000 119.7045 56.3314 41.2212 172.7691 90 S 5.0113 9.1555 113.5388 56.7654 65.9184 174.0256 91 G 4.0968 8.7178 108.4762 45.5768 0.0000 174.5989 92 A 4.5353 8.3043 125.5040 50.7078 17.7791 178.0575 93 N 4.7427 8.0387 120.4331 51.3673 40.4760 174.5830 94 K 3.7199 8.3286 128.1487 59.3872 32.2694 178.6249 95 E 3.8948 8.0934 118.9404 59.4727 29.5487 178.7146 96 K 3.9117 8.1045 119.0695 59.1743 32.0693 178.3069 97 L 4.3029 7.8158 120.4226 58.3407 42.1241 178.5500 98 E 3.9822 8.5572 118.9190 59.2438 29.2855 178.6568 99 A 3.9964 8.5405 121.2465 55.6079 18.4236 179.8109 100 T 3.7717 8.0705 114.1923 66.4515 68.4488 177.2443 101 I 3.6232 7.6731 121.9011 64.4532 36.9453 178.1757 102 N 4.4262 8.0153 115.5213 55.4560 38.3520 176.4773 103 E 4.1349 7.4106 119.0363 58.0679 30.0319 177.3752 104 L 4.3880 7.5041 116.9601 55.0059 42.3603 176.9473 105 V 3.7749 7.6325 123.2571 61.8670 31.2521 175.8525 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 4.32 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 V 7.97 3.98 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 0.98 0.00 0.00 0.62 0.00 0.00 3 K 9.35 4.41 0.00 1.75 1.72 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.41 7.81 4 Q 8.67 4.54 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 5 I 8.44 4.26 1.97 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 1.27 1.10 1.03 0.00 0.00 6 E 8.32 4.72 0.00 1.91 1.90 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 2.20 2.20 0.00 7 S 7.46 4.63 0.00 4.00 3.92 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 8 K 8.09 4.07 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.55 1.58 7.81 9 T 7.89 3.90 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 1.22 0.00 0.00 10 A 8.55 4.02 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 11 F 8.18 4.05 0.00 3.20 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 12 Q 8.06 3.85 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.87 0.00 13 E 8.28 3.89 0.00 2.09 1.97 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 2.50 2.45 0.00 14 A 7.84 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.23 3.68 0.00 1.54 1.46 0.13 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.99 4.36 0.00 2.73 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 17 A 8.23 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 18 A 7.92 4.05 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 19 G 8.09 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 20 D 9.29 4.46 0.00 2.63 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.72 4.14 0.00 1.90 1.70 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.66 1.38 7.81 22 L 8.24 4.47 0.00 1.77 1.48 1.09 0.75 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 23 V 8.96 4.68 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 0.69 0.00 0.00 0.87 0.00 0.00 24 V 8.59 4.45 1.77 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 0.65 0.00 0.00 0.75 0.00 0.00 25 V 8.80 4.70 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 0.26 0.00 0.00 1.11 0.00 0.00 26 D 8.96 4.68 0.00 1.66 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 0.00 0.00 0.00 27 F 8.80 4.89 0.00 2.85 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 28 S 8.68 4.86 0.00 3.63 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 29 A 7.70 4.75 0.31 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 30 T 7.94 3.78 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 31 W 7.40 4.40 0.00 3.56 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 32 C 6.94 4.24 0.00 1.90 2.46 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 33 G 8.85 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 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.15 2.18 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 35 C 7.30 4.06 0.00 2.93 2.83 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 36 K 8.20 4.12 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.58 7.81 37 M 7.98 4.05 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 38 I 7.77 4.24 2.01 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.33 1.17 0.00 0.00 39 K 7.82 4.08 0.00 2.02 1.82 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.58 7.81 40 P 0.00 4.29 0.00 2.28 2.13 0.00 3.87 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 2.16 2.17 0.00 41 F 8.35 4.18 0.00 3.16 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.43 4.13 0.00 3.33 3.42 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 43 H 8.56 4.07 0.00 3.44 3.29 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.23 4.00 0.00 3.92 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 45 L 7.41 3.70 0.00 1.44 0.85 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.42 2.79 0.00 3.73 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.60 4.10 0.00 1.96 1.93 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 2.21 2.25 0.00 48 K 7.35 4.16 0.00 1.48 1.74 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.56 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.98 7.81 49 Y 8.06 4.55 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.51 0.00 4.00 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 51 N 8.17 4.77 0.00 2.89 3.00 0.00 0.00 5.77 7.68 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 52 V 7.34 4.49 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 0.18 0.00 0.00 0.89 0.00 0.00 53 I 8.53 4.25 1.76 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 1.17 0.69 0.87 0.00 0.00 54 F 8.86 5.13 0.00 2.87 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 55 L 9.46 5.33 0.00 1.73 1.54 0.91 0.50 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 56 E 9.14 4.94 0.00 1.90 1.80 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 2.03 2.45 0.00 57 V 8.40 4.40 1.46 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 0.90 0.00 0.00 0.64 0.00 0.00 58 D 8.57 4.95 0.00 2.73 2.50 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 59 V 8.88 3.68 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 0.78 0.00 0.00 0.96 0.00 0.00 60 D 8.82 4.53 0.00 2.76 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 61 D 8.46 4.49 0.00 2.80 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 62 C 7.83 4.83 0.00 2.93 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 63 Q 7.95 4.11 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 64 D 7.97 4.31 0.00 2.85 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 65 V 7.66 3.46 1.94 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 0.26 0.00 0.00 0.80 0.00 0.00 66 A 8.08 3.72 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 67 S 8.21 4.00 0.00 3.95 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 68 E 8.02 4.05 0.00 1.96 2.03 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 2.34 2.61 0.00 69 C 7.75 4.44 0.00 2.62 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 70 E 7.86 3.69 0.00 2.03 1.94 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 2.22 2.20 0.00 71 V 7.16 3.70 1.69 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 0.55 0.00 0.00 -0.27 0.00 0.00 72 K 8.35 4.54 0.00 1.82 1.80 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.42 7.81 73 C 7.89 4.94 0.00 2.92 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 74 M 8.20 4.55 0.00 1.59 1.69 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.09 0.00 75 P 0.00 4.60 0.00 1.42 1.87 0.00 3.68 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 2.01 1.99 0.00 76 T 8.01 4.66 4.10 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 1.14 0.00 0.00 77 F 8.54 5.13 0.00 2.37 2.52 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 78 Q 8.87 5.12 0.00 2.40 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 79 F 9.01 5.27 0.00 3.07 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 80 F 9.62 5.37 0.00 2.90 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 81 K 9.06 4.61 0.00 1.79 1.64 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.43 7.81 82 K 9.46 3.89 0.00 1.95 1.85 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 83 G 8.05 3.96 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 0.00 0.00 0.00 84 Q 7.70 4.65 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 85 K 8.66 3.98 0.00 1.43 1.60 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.24 1.05 7.81 86 V 8.34 4.38 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 0.77 0.00 0.00 1.02 0.00 0.00 87 G 7.26 4.10 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 0.00 0.00 0.00 88 E 9.13 5.98 0.00 2.01 1.86 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 2.13 2.16 0.00 89 F 8.10 5.21 0.00 3.23 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 90 S 9.16 5.01 0.00 4.03 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 91 G 8.72 4.10 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 0.00 0.00 0.00 92 A 8.30 4.54 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 93 N 8.04 4.74 0.00 2.85 2.79 0.00 0.00 7.06 5.97 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 94 K 8.33 3.72 0.00 1.47 0.90 0.00 1.44 0.00 0.00 1.13 0.00 0.00 2.50 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.14 7.81 95 E 8.09 3.89 0.00 1.98 1.91 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 2.38 2.37 0.00 96 K 8.10 3.91 0.00 1.65 1.42 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.42 1.02 7.81 97 L 7.82 4.30 0.00 2.25 2.02 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.56 3.98 0.00 2.38 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 0.00 2.47 2.49 0.00 99 A 8.54 4.00 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 0.00 100 T 8.07 3.77 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 0.39 0.00 0.00 101 I 7.67 3.62 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.28 0.34 0.00 0.00 102 N 8.02 4.43 0.00 2.82 2.89 0.00 0.00 7.01 7.28 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 0.00 103 E 7.41 4.13 0.00 2.06 1.93 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 2.24 2.41 0.00 104 L 7.50 4.39 0.00 1.57 1.65 0.52 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.63 3.77 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 0.70 0.00 0.00 0.98 0.00 0.00