NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4256 8.1727 120.1028 56.3257 34.6468 173.5121 3 K 4.9764 9.3690 123.3831 54.3812 34.7319 173.1437 4 I 4.7903 8.9869 128.5697 59.3702 40.7202 173.6253 5 L 4.9938 8.7147 129.1243 53.6230 43.9949 174.9079 6 I 4.5438 8.4600 127.7544 59.7582 39.2580 174.9560 7 V 4.4938 8.6256 129.1145 61.4284 33.0253 174.0914 8 D 5.1606 8.5236 128.1031 53.2336 44.5277 175.4547 9 D 4.9469 9.1947 124.3581 53.5123 40.4392 176.4512 10 E 4.5687 8.4123 121.7520 54.7732 31.0509 176.4675 11 K 4.1772 8.6842 125.5085 59.1033 32.2916 176.7911 12 P 4.2946 0.0000 0.0000 65.7603 31.2913 178.6724 13 I 3.8247 7.7449 118.0550 64.3084 37.1001 178.0038 14 S 4.1345 8.2009 114.0780 61.8120 62.0895 176.1456 15 D 4.4798 8.3788 121.3269 57.3736 40.5546 178.8729 16 I 3.8292 7.6979 120.4423 64.5060 37.1574 178.6272 17 I 3.8972 7.9941 120.7543 64.0955 36.8555 178.3128 18 K 3.9129 8.5168 120.9786 59.4628 32.0600 178.4127 19 F 4.1888 8.5259 120.9456 61.5866 39.2031 176.8741 20 N 4.2039 8.4623 115.8928 56.6330 38.4251 177.4207 21 M 4.2736 8.6803 120.4294 58.6572 31.9828 178.9522 22 T 4.0564 8.2809 116.3025 66.7096 68.4290 176.8420 23 K 3.8082 7.6080 119.0179 59.1432 32.0647 178.5089 24 E 4.1565 7.6974 116.9482 56.8739 29.6269 177.5260 25 G 3.8560 7.8074 107.6026 45.0210 0.0000 173.2393 26 Y 4.5835 7.1172 116.3065 57.3688 38.9892 174.9254 27 E 4.2871 8.9975 124.2042 55.9044 31.0963 175.2469 28 V 4.8554 8.4510 126.5271 61.2634 33.6598 174.8808 29 V 4.7077 8.6033 120.8919 59.7199 34.7162 174.7805 30 T 5.0650 8.4495 112.5462 59.9313 71.8529 172.9239 31 A 4.6463 8.3727 123.5640 50.4426 22.6878 176.6644 32 F 5.0393 10.1446 117.4365 56.2823 40.4657 174.6375 33 N 5.0143 7.6222 118.3736 50.8852 41.2273 175.0872 34 G 3.6635 8.5337 107.4308 47.0253 0.0000 175.8839 35 R 3.8659 7.9955 120.4895 59.5799 30.2194 178.2666 36 E 4.0137 9.0799 118.5370 59.2418 29.3056 179.2365 37 A 3.9813 8.1641 120.8344 55.3535 18.4674 179.7670 38 L 4.1084 7.9389 117.3909 57.8833 41.6719 179.6043 39 E 3.9893 8.3124 118.6113 59.6431 29.4337 179.5201 40 Q 4.0152 8.4536 118.3539 58.6618 28.8918 178.2704 41 F 4.2137 8.5196 122.0288 61.5401 39.2195 177.1488 42 E 3.4017 8.0224 116.4307 59.1263 29.3230 178.8334 43 A 4.1164 7.8028 119.6095 54.3315 18.7964 178.6524 44 E 4.2340 8.5311 115.2943 55.3732 31.5427 176.0809 45 Q 3.2168 7.6483 117.2159 56.0676 26.6884 172.0051 46 P 4.4822 0.0000 0.0000 62.9615 32.5028 176.8754 47 D 4.6190 8.6832 119.9330 56.9577 41.4746 176.4971 48 I 4.6882 7.4544 116.6725 59.7227 41.8361 173.2314 49 I 4.8841 8.5288 127.6672 59.5693 40.4823 174.4137 50 I 4.6028 8.4803 128.1546 59.6941 39.0041 174.4320 51 L 4.9380 8.8545 130.1414 52.9717 44.3812 175.1666 52 D 5.5381 8.6823 126.9262 52.3589 40.2088 177.0206 53 L 3.9890 8.5957 120.4609 57.4817 42.9244 176.5315 54 M 4.2136 7.7990 119.1179 53.2459 30.5855 173.3780 55 L 4.2705 7.9406 121.2474 54.6752 45.2712 174.1760 56 P 3.4649 0.0000 0.0000 61.9395 31.9031 174.1872 57 E 4.0667 8.1743 124.3159 59.3618 28.4858 174.1460 58 I 3.4429 8.3049 129.9081 61.2084 36.3269 174.8799 59 D 4.4639 8.3765 121.2889 57.0226 40.9751 178.2221 60 G 3.6931 7.9441 105.8842 47.8410 0.0000 175.6225 61 L 4.0081 7.8575 121.0782 57.4563 41.6491 179.0882 62 E 3.8899 8.2735 119.2684 59.0782 29.4781 178.9158 63 V 3.4972 8.1861 118.5214 65.9413 31.6137 177.8374 64 A 3.8152 7.9226 120.2947 54.9734 18.0227 179.1800 65 K 3.7186 7.8395 116.9317 60.2619 32.6171 178.4318 66 T 4.0380 8.2631 113.3383 64.8350 67.2459 176.3000 67 I 3.3685 7.7843 122.1203 64.4761 36.8980 178.4561 68 R 4.2922 7.6414 118.0543 57.8375 29.8425 178.7054 69 K 4.1070 7.6824 118.2983 58.8474 32.1264 177.6148 70 T 4.5588 7.8710 106.6077 61.4892 70.4064 174.1552 71 S 4.6969 7.6974 115.7466 56.7763 65.5295 173.5551 72 S 4.7207 8.6213 119.9803 57.8501 63.1604 174.2668 73 V 3.6729 7.6827 120.9521 62.1903 31.4519 174.4329 74 P 4.5973 0.0000 0.0000 63.0962 32.6368 175.0504 75 I 4.8968 8.9492 124.2691 59.3331 40.6416 174.0443 76 L 4.9235 8.8305 129.7065 53.6085 44.0104 174.9265 77 M 4.7731 8.6754 126.6015 54.1635 34.1718 175.2852 78 L 5.2521 8.0268 121.8910 52.0590 45.6150 175.5653 79 S 4.8096 8.0867 113.9535 57.3665 65.0708 176.1039 80 A 4.3531 8.8935 128.7069 54.2784 18.5217 178.2659 81 K 4.2802 7.8636 116.1164 56.6725 32.3585 176.5284 82 D 4.9218 8.6220 121.1628 52.1599 40.6542 176.2488 83 S 4.4500 7.9946 115.6063 57.9656 65.3267 174.5521 84 E 3.7997 8.5670 122.3718 59.3909 29.3861 178.3192 85 F 3.9932 8.2963 120.1839 61.5314 39.3459 176.7616 86 D 4.3303 7.8545 118.2276 57.2841 40.6907 178.9182 87 K 2.5771 7.4874 118.8391 58.9696 31.9574 179.5979 88 V 3.4091 7.8148 118.8262 66.0141 31.4319 177.9417 89 I 3.5389 7.7107 118.8923 63.6367 37.6924 177.9356 90 G 3.7907 8.0220 106.7063 47.9830 0.0000 175.6825 91 L 4.2890 7.7881 123.0023 56.9867 41.4171 179.4672 92 E 3.9777 8.0459 117.5956 59.2469 29.5138 178.7782 93 L 4.2529 7.7226 116.3697 55.2354 41.8838 176.4877 94 G 3.4117 7.4337 107.5154 44.8426 0.0000 174.5405 95 A 4.0949 8.0054 125.1476 52.5485 18.8736 177.9890 96 D 4.6467 8.7829 121.3062 56.2299 41.8539 175.9879 97 D 4.7201 7.7460 116.2052 53.6072 45.0461 173.4377 98 Y 5.0286 8.3516 122.8315 56.3134 41.9364 173.9951 99 V 4.6935 8.7994 127.0086 61.2721 34.8558 174.5204 100 T 5.0595 8.6996 117.1390 60.8930 70.9263 173.8235 101 K 5.0216 8.6297 122.9233 54.2981 34.3379 174.5514 102 P 4.6266 0.0000 0.0000 62.1888 32.3650 175.2348 103 F 5.0009 7.5468 114.2041 54.7347 40.9647 174.9022 104 S 4.5177 8.4720 115.2729 57.5405 64.0291 174.5911 105 N 4.6656 8.7732 126.4463 56.6564 38.4923 177.7884 106 R 4.0043 8.0164 119.0693 59.1662 30.1484 178.5714 107 E 3.9785 8.5395 119.3708 59.0469 29.5807 178.5054 108 L 3.8920 8.1288 120.4281 58.3129 42.1561 178.9823 109 Q 4.0074 8.2815 117.6432 58.9890 28.6900 178.7179 110 A 4.0445 8.1072 121.7040 55.3279 18.3577 179.9759 111 R 3.9037 8.4032 116.9922 59.1438 30.0400 179.4396 112 V 3.4735 7.9968 118.3563 65.7897 31.4810 177.8983 113 K 3.9376 8.2119 119.1380 59.5948 31.7977 178.5921 114 A 3.9905 7.9099 119.7736 55.0657 18.4725 179.2738 115 L 4.0760 8.1120 117.6396 58.0474 41.4981 179.8411 116 L 4.0054 7.9278 117.8358 57.6880 41.6020 179.0989 117 R 4.0647 8.0903 118.0967 58.7170 29.9389 177.5215 118 R 4.5539 7.3587 116.1964 55.8315 30.4561 175.7984 119 S 4.1526 7.7311 117.1601 58.1707 62.7569 173.4229 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 2 K 8.17 4.43 0.00 2.02 1.92 0.00 1.66 0.00 0.00 2.00 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.52 7.81 3 K 9.37 4.98 0.00 1.83 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.50 7.81 4 I 8.99 4.79 1.74 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.57 0.78 0.00 0.00 5 L 8.71 4.99 0.00 1.75 1.51 0.94 1.03 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 6 I 8.46 4.54 1.76 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 1.02 0.42 0.82 0.00 0.00 7 V 8.63 4.49 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 0.94 0.00 0.00 0.85 0.00 0.00 8 D 8.52 5.16 0.00 2.69 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 9.19 4.95 0.00 2.92 2.90 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 10 E 8.41 4.57 0.00 2.11 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 2.29 2.34 0.00 11 K 8.68 4.18 0.00 1.83 1.81 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.62 7.81 12 P 0.00 4.29 0.00 2.22 2.10 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 13 I 7.74 3.82 1.95 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 1.58 1.09 1.15 0.00 0.00 14 S 8.20 4.13 0.00 3.98 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 0.00 15 D 8.38 4.48 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.70 3.83 2.10 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 1.52 0.94 1.05 0.00 0.00 17 I 7.99 3.90 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.87 0.00 0.00 18 K 8.52 3.91 0.00 1.92 2.12 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 F 8.53 4.19 0.00 3.19 3.31 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 20 N 8.46 4.20 0.00 2.95 2.93 0.00 0.00 7.12 6.96 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 21 M 8.68 4.27 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.91 0.00 22 T 8.28 4.06 4.37 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 1.19 0.00 0.00 23 K 7.61 3.81 0.00 1.65 1.66 0.00 0.84 0.00 0.00 1.43 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 0.55 7.81 24 E 7.70 4.16 0.00 2.06 1.76 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 2.42 2.55 0.00 25 G 7.81 3.86 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 0.00 0.00 0.00 26 Y 7.12 4.58 0.00 2.99 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 27 E 9.00 4.29 0.00 2.11 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 2.32 2.28 0.00 28 V 8.45 4.86 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 0.87 0.00 0.00 0.97 0.00 0.00 29 V 8.60 4.71 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 0.70 0.00 0.00 0.92 0.00 0.00 30 T 8.45 5.07 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 1.18 0.00 0.00 31 A 8.37 4.65 1.14 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 0.00 0.00 32 F 10.14 5.04 0.00 3.20 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 33 N 7.62 5.01 0.00 2.98 2.96 0.00 0.00 6.10 6.92 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 34 G 8.53 3.66 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 0.00 0.00 0.00 35 R 8.00 3.87 0.00 1.91 2.11 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 36 E 9.08 4.01 0.00 2.05 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 2.40 2.56 0.00 37 A 8.16 3.98 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 38 L 7.94 4.11 0.00 1.78 1.82 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.31 3.99 0.00 2.19 2.02 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 2.35 2.50 0.00 40 Q 8.45 4.02 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 41 F 8.52 4.21 0.00 3.14 3.36 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 42 E 8.02 3.40 0.00 2.05 1.87 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 2.14 2.22 0.00 43 A 7.80 4.12 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 44 E 8.53 4.23 0.00 2.02 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 2.25 2.47 0.00 45 Q 7.65 3.22 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 46 P 0.00 4.48 0.00 2.37 2.07 0.00 3.94 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 2.15 2.10 0.00 47 D 8.68 4.62 0.00 2.70 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 I 7.45 4.69 1.79 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 1.22 1.51 0.72 0.00 0.00 49 I 8.53 4.88 1.77 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 1.22 0.66 0.86 0.00 0.00 50 I 8.48 4.60 1.73 0.00 0.00 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 0.94 0.54 0.71 0.00 0.00 51 L 8.85 4.94 0.00 1.56 1.36 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.68 5.54 0.00 2.64 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 53 L 8.60 3.99 0.00 1.66 1.78 0.81 1.08 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 54 M 7.80 4.21 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 55 L 7.94 4.27 0.00 1.71 1.51 1.01 1.12 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 P 0.00 3.46 0.00 2.31 2.37 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 57 E 8.17 4.07 0.00 1.95 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 2.33 2.34 0.00 58 I 8.30 3.44 1.90 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 1.32 1.03 0.93 0.00 0.00 59 D 8.38 4.46 0.00 2.84 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 60 G 7.94 3.69 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 0.00 61 L 7.86 4.01 0.00 1.87 1.73 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.27 3.89 0.00 2.18 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 2.30 2.35 0.00 63 V 8.19 3.50 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 0.94 0.00 0.00 1.04 0.00 0.00 64 A 7.92 3.82 1.32 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 0.00 0.00 65 K 7.84 3.72 0.00 1.81 2.03 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 66 T 8.26 4.04 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 67 I 7.78 3.37 1.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.10 0.30 0.00 0.00 68 R 7.64 4.29 0.00 1.96 1.96 0.00 3.26 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 K 7.68 4.11 0.00 1.91 1.89 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 70 T 7.87 4.56 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 1.27 0.00 0.00 71 S 7.70 4.70 0.00 4.10 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 72 S 8.62 4.72 0.00 4.01 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 73 V 7.68 3.67 2.20 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 0.62 0.00 0.00 1.09 0.00 0.00 74 P 0.00 4.60 0.00 2.05 1.99 0.00 3.72 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 2.17 2.11 0.00 75 I 8.95 4.90 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.91 0.81 0.00 0.00 76 L 8.83 4.92 0.00 1.58 1.38 0.82 0.53 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 77 M 8.68 4.77 0.00 1.54 1.66 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 78 L 8.03 5.25 0.00 1.32 1.34 0.47 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.09 4.81 0.00 3.63 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 80 A 8.89 4.35 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 81 K 7.86 4.28 0.00 1.93 2.14 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.45 7.81 82 D 8.62 4.92 0.00 2.77 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 83 S 7.99 4.45 0.00 4.11 4.08 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 84 E 8.57 3.80 0.00 2.05 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 2.36 2.34 0.00 85 F 8.30 3.99 0.00 3.18 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 86 D 7.85 4.33 0.00 2.84 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 87 K 7.49 2.58 0.00 1.50 1.48 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.60 0.75 7.81 88 V 7.81 3.41 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 0.86 0.00 0.00 0.90 0.00 0.00 89 I 7.71 3.54 1.01 0.00 0.00 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 1.32 1.01 0.63 0.00 0.00 90 G 8.02 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 91 L 7.79 4.29 0.00 1.66 1.70 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.05 3.98 0.00 1.86 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 2.51 2.40 0.00 93 L 7.72 4.25 0.00 1.68 1.68 0.96 0.81 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 94 G 7.43 3.41 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 0.00 95 A 8.01 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.78 4.65 0.00 2.62 2.71 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 97 D 7.75 4.72 0.00 2.67 2.42 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 98 Y 8.35 5.03 0.00 2.96 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 99 V 8.80 4.69 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 0.94 0.00 0.00 0.90 0.00 0.00 100 T 8.70 5.06 4.35 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 1.39 0.00 0.00 101 K 8.63 5.02 0.00 1.82 1.87 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.43 7.81 102 P 0.00 4.63 0.00 2.06 1.98 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 103 F 7.55 5.00 0.00 3.12 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 0.00 104 S 8.47 4.52 0.00 3.95 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 0.00 105 N 8.77 4.67 0.00 2.89 2.98 0.00 0.00 7.16 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 0.00 106 R 8.02 4.00 0.00 1.90 2.01 0.00 3.15 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 1.76 1.73 0.00 107 E 8.54 3.98 0.00 2.08 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 0.00 2.34 2.35 0.00 108 L 8.13 3.89 0.00 2.04 1.80 0.62 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.28 4.01 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 110 A 8.11 4.04 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 0.00 111 R 8.40 3.90 0.00 2.00 1.96 0.00 3.13 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 112 V 8.00 3.47 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 0.75 0.00 0.00 0.83 0.00 0.00 113 K 8.21 3.94 0.00 1.95 1.97 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 114 A 7.91 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.11 4.08 0.00 1.90 1.70 0.87 0.56 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 0.00 116 L 7.93 4.01 0.00 1.78 1.77 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.09 4.06 0.00 2.10 1.97 0.00 3.25 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 118 R 7.36 4.55 0.00 1.77 2.01 0.00 3.31 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 119 S 7.73 4.15 0.00 3.79 3.81 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