NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.7534 8.5445 117.8417 56.3871 29.4375 171.8314 *1C H 4.5656 7.9178 116.6345 54.0301 34.2601 172.7068 1D H 4.9134 8.7639 118.1917 55.7815 30.6358 174.1700 1E H 5.1017 7.7044 115.6858 53.6650 32.5813 172.3961 1F H 4.5986 8.9586 117.1219 56.0873 28.8285 174.3465 1G F 4.8314 8.4367 119.2020 57.8428 39.9804 174.0744 2 N 4.5965 8.5137 117.2498 52.3287 38.8619 174.5296 3 L 4.7093 8.0718 123.4282 52.2193 43.8640 174.5850 4 P 4.5778 0.0000 0.0000 61.2071 32.5693 174.0450 5 P 4.3698 0.0000 0.0000 62.3128 32.2204 174.9273 6 G 4.0118 7.4629 104.8412 43.5885 0.0000 172.1136 7 N 4.4843 7.7278 115.9679 51.8563 39.9405 173.6928 8 Y 4.7578 7.9224 114.9499 57.9517 38.4028 177.1388 9 K 4.1158 8.8140 121.7544 59.1898 32.2241 177.5125 10 K 4.5921 7.6040 115.5533 53.9529 34.0451 174.4233 11 P 4.8033 0.0000 0.0000 62.9023 32.3534 175.4408 12 K 4.9733 9.4833 119.9191 55.2609 37.2486 175.3227 13 L 5.3087 9.1769 121.2555 52.7951 44.5771 176.2907 14 L 5.1729 8.8054 121.4318 53.3683 43.8597 174.2033 15 Y 4.9065 9.4039 126.5735 56.7394 40.5824 173.4964 16 C 4.2493 8.9700 128.9699 56.5158 32.3157 174.5515 17 S 3.8354 8.2603 122.0103 60.9562 62.8895 174.9035 18 N 4.0733 7.7646 118.9566 56.2517 38.3790 175.2696 19 G 3.8773 7.6498 102.8276 44.3539 0.0000 172.3384 20 G 3.5933 7.6067 106.9160 45.0251 0.0000 173.1925 21 H 4.9719 7.1314 114.0945 53.6142 33.4219 174.0236 22 F 5.5303 8.9424 120.1087 55.7421 40.6918 175.4017 23 L 4.6074 9.3033 126.6666 55.9544 43.2285 175.7921 24 R 5.1044 9.5030 124.9739 54.8969 34.1241 173.7248 25 I 4.9201 8.3877 125.8805 59.4777 39.2845 175.7334 26 L 4.1234 8.9347 128.1061 53.3381 42.3202 176.8520 27 P 4.2375 0.0000 0.0000 65.6969 31.2545 177.4703 28 D 4.4907 7.9640 114.9317 53.8635 39.9222 177.0226 29 G 4.1787 8.5242 110.2888 45.2275 0.0000 173.8969 30 T 4.2800 8.5370 118.1452 63.5121 68.9709 173.2970 31 V 4.9014 8.1092 125.4981 61.2252 33.9505 174.3939 32 D 4.6025 8.6890 125.8074 53.0468 42.7534 174.1595 33 G 4.5898 8.8392 105.0072 45.3906 0.0000 172.3828 34 T 4.9928 8.8037 115.2588 60.4719 70.8783 174.8119 35 R 4.2076 8.8959 124.9172 57.1720 31.0496 176.2769 36 D 4.5657 8.1545 118.5596 53.5588 40.3014 176.5564 37 R 3.7178 8.7052 128.3019 58.7718 30.2381 177.2970 38 S 4.3783 8.8750 110.8804 58.2966 63.5912 173.9706 39 D 4.3717 7.6872 121.4889 55.2745 41.2258 175.9947 40 Q 4.2719 8.4771 122.9997 56.6535 29.3776 175.7318 41 H 4.8219 9.3403 116.4979 55.5140 29.9229 174.4038 42 I 4.6786 7.3219 110.4919 59.9760 39.0454 174.3506 43 Q 4.4985 7.3596 122.8649 54.7068 30.6876 174.4980 44 F 5.2470 9.1489 122.2991 55.6365 43.4738 173.7819 45 Q 4.7904 9.3527 124.5119 54.7514 30.1805 174.4809 46 L 5.2261 8.6499 126.8886 54.0624 43.4487 176.3412 47 S 4.6002 8.6713 115.1692 56.8046 66.8561 172.4674 48 A 4.3689 8.2475 123.1872 51.5449 19.9973 175.0203 49 E 3.9483 9.2855 123.6221 56.3182 29.8868 178.0313 50 S 4.6585 6.8669 113.7984 56.3627 65.6746 173.8692 51 V 3.8759 8.1544 121.4908 64.7250 31.5741 176.1680 52 G 3.9374 9.2355 114.7917 45.2425 0.0000 171.7514 53 E 5.2226 8.2479 119.8492 54.5468 32.2965 175.6607 54 V 4.8823 8.8919 116.6549 59.8249 36.6969 173.8610 55 Y 5.1867 8.8136 119.5834 56.4885 40.9962 175.3647 56 I 4.3091 8.6499 123.4406 59.6325 39.8438 173.8712 57 K 4.5255 8.6943 129.4396 54.0613 34.4007 175.2698 58 S 4.3599 9.1044 123.6511 58.6172 62.6199 174.8929 59 T 3.7559 8.3500 118.8449 64.7383 68.6924 175.8502 60 E 4.0156 8.1871 122.3164 58.2334 29.8948 177.0133 61 T 4.3041 8.0823 106.7142 60.8074 70.1687 175.6305 62 G 3.8893 8.2391 110.1126 45.2602 0.0000 173.8004 63 Q 4.5223 7.6445 118.4920 56.1570 30.3253 174.6027 64 Y 4.8228 8.9509 119.5827 55.9427 40.6905 175.2190 65 L 4.4048 8.9172 126.0059 55.4236 43.4824 175.6131 66 A 5.0579 8.8077 126.0856 50.8346 23.3563 174.5365 67 M 5.4007 8.5787 118.9555 53.8451 34.8730 175.3681 68 D 5.2924 9.6445 126.2447 51.9788 40.8489 177.1922 69 T 4.0895 8.5242 108.6576 64.0708 68.6321 174.5609 70 D 4.6399 8.4435 120.3009 54.2941 41.7100 177.0693 71 G 3.3170 8.6374 108.8470 44.8055 0.0000 172.9120 72 L 4.5732 8.0933 120.3356 53.5986 42.6743 175.8774 73 V 4.8018 8.2673 123.4107 62.5819 32.5796 174.3841 74 Y 4.9369 9.2029 124.9558 55.8160 42.1558 173.5632 75 G 4.2208 8.8424 107.9426 45.2986 0.0000 173.2534 76 S 5.1272 9.0047 120.9047 56.6151 64.2360 175.3233 77 Q 4.2414 9.0637 125.0857 58.2620 28.8985 176.4323 78 T 4.5174 7.5675 105.9777 58.7706 71.6754 172.2321 79 P 3.8314 0.0000 0.0000 61.4408 30.7394 174.2018 80 N 5.1798 7.9793 122.6549 50.7212 40.2466 174.5012 81 E 4.0179 8.8631 114.7478 59.7335 29.5019 177.7220 82 E 4.1348 9.0067 118.3434 57.7933 29.7520 177.4354 83 C 5.0282 8.0244 115.2157 58.8741 29.2754 173.4920 84 L 4.3030 7.3800 121.2399 53.9239 42.6924 175.7482 85 F 5.1578 8.9027 121.5522 55.5749 43.4446 174.2345 86 L 4.7965 9.1398 122.8323 53.7326 42.8104 175.5786 87 E 4.3850 8.7944 126.9219 55.2624 29.9971 175.6007 88 R 4.8014 8.5058 125.5493 53.9773 34.7762 174.8540 89 L 4.7290 8.5499 123.0646 55.2819 43.2503 175.8149 90 E 4.6720 9.0855 124.0174 55.3107 33.5294 174.9853 91 E 3.9325 9.5692 125.0672 58.1298 27.1831 174.0868 92 N 4.3246 8.5296 110.2890 54.1068 36.6923 174.1074 93 H 4.8325 8.4630 116.4178 57.6893 37.0608 173.5292 94 Y 4.4912 7.8419 116.0804 57.5658 39.9034 173.7190 95 N 5.4773 9.5428 118.6584 52.0051 41.0334 174.5743 96 T 5.2039 8.7392 112.9252 60.0953 72.7855 172.6035 97 Y 4.9484 8.6926 120.2620 56.5903 41.0547 174.2736 98 I 4.5753 8.5565 126.1877 59.3177 39.3760 175.5831 99 S 3.8315 8.9574 122.6318 58.5674 62.3720 173.9836 100 K 3.9438 8.6777 129.2114 59.4347 32.3096 178.5835 101 K 3.7065 7.9371 118.0575 59.2774 32.1609 176.9198 102 H 4.5967 8.1236 114.6888 55.0934 29.4379 176.4589 103 A 3.9398 7.7739 125.9574 55.3564 18.2031 180.8783 104 E 3.9126 7.9932 111.7774 58.5452 29.7222 177.7097 105 K 3.9643 7.5822 117.4439 55.7626 32.8285 175.7952 106 N 3.8976 7.6021 115.4094 53.9768 36.2420 174.6015 107 W 5.0506 7.5590 117.7916 55.4985 31.2912 177.2920 108 F 5.4521 9.0870 123.3787 55.3122 41.5843 174.8823 109 L 4.4156 9.1806 123.3934 55.0823 43.0485 175.9003 110 G 4.3702 8.5669 111.0602 45.3493 0.0000 171.4296 111 L 5.2753 8.4493 120.5946 52.4609 45.3080 177.2071 112 K 4.2989 8.9273 123.1660 55.5360 32.8428 178.3485 113 K 4.0905 8.4848 119.7841 59.2549 31.9313 177.8647 114 N 4.5421 8.0825 113.7320 52.6640 37.8818 175.8490 115 G 3.5147 8.5716 109.0460 45.1792 0.0000 172.9423 116 S 5.0134 7.9487 114.6140 56.4960 65.4636 173.7511 117 C 4.7749 8.5472 119.3326 60.0858 28.6065 173.5886 118 K 4.4011 8.7256 122.0281 55.7688 33.3938 176.6445 119 R 4.4363 8.3464 120.9813 54.8027 31.8385 177.8309 120 G 3.3303 8.4798 112.9078 48.2183 0.0000 174.2428 121 P 4.3590 0.0000 0.0000 64.1542 31.3996 177.3413 122 R 4.4686 8.0251 116.4599 55.8748 30.2507 175.9438 123 T 5.3043 7.5485 108.0721 59.7309 71.3882 173.1615 124 H 4.8037 7.9313 115.0890 54.8815 30.6206 172.9699 125 Y 4.0852 8.7368 118.6377 59.8676 38.0813 176.7848 126 G 4.1258 9.0194 111.7401 45.6905 0.0000 174.0752 127 Q 4.2103 7.5878 118.3586 55.1324 29.8559 177.2917 128 K 3.7578 8.3405 119.6110 58.8857 32.7508 179.4412 129 A 3.9826 8.0460 121.1669 53.8931 18.3683 178.4491 130 I 4.4597 6.7258 106.0968 60.4798 38.3077 175.5290 131 L 4.3668 7.3058 122.9730 54.1167 42.5286 175.8376 132 F 5.2854 9.5505 122.7232 55.5477 43.3839 174.2826 133 L 5.3148 9.1412 120.8797 52.4556 44.5407 173.9512 134 P 5.1741 0.0000 0.0000 62.2523 32.4377 175.4482 135 L 5.0315 9.0921 124.9810 51.5991 44.9682 174.4160 136 P 4.5734 0.0000 0.0000 63.3863 31.9425 176.3817 137 V 3.8721 8.1906 119.3945 63.1082 31.5258 175.5294 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 1B H 8.54 4.75 0.00 3.02 3.47 0.00 5.85 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1C H 7.92 4.57 0.00 2.95 2.75 0.00 7.18 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.76 4.91 0.00 3.11 3.25 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.70 5.10 0.00 3.18 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.96 4.60 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.44 4.83 0.00 2.86 3.06 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 0.00 0.00 0.00 0.00 2 N 8.51 4.60 0.00 2.93 2.78 0.00 0.00 6.90 6.74 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 3 L 8.07 4.71 0.00 1.46 1.40 0.56 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.16 2.08 0.00 3.68 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 1.95 1.88 0.00 5 P 0.00 4.37 0.00 2.16 2.06 0.00 3.72 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 1.95 1.93 0.00 6 G 7.46 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.73 4.48 0.00 2.65 2.63 0.00 0.00 5.90 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 8 Y 7.92 4.76 0.00 3.10 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 9 K 8.81 4.12 0.00 1.75 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.72 7.81 10 K 7.60 4.59 0.00 1.73 1.73 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.51 7.81 11 P 0.00 4.80 0.00 1.94 2.01 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 12 K 9.48 4.97 0.00 1.72 1.86 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.65 7.81 13 L 9.18 5.31 0.00 1.75 1.76 0.52 0.59 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 14 L 8.81 5.17 0.00 1.50 1.55 0.17 0.72 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 15 Y 9.40 4.91 0.00 3.37 3.17 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 0.00 0.00 0.00 0.00 16 C 8.97 4.25 0.00 2.17 2.34 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 17 S 8.26 3.84 0.00 3.98 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 18 N 7.76 4.07 0.00 2.52 2.78 0.00 0.00 6.74 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 19 G 7.65 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 0.00 0.00 0.00 20 G 7.61 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 21 H 7.13 4.97 0.00 2.98 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.94 5.53 0.00 3.10 3.09 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 0.00 0.00 0.00 23 L 9.30 4.61 0.00 1.85 1.62 0.88 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.50 5.10 0.00 1.98 2.07 0.00 3.22 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 25 I 8.39 4.92 2.01 0.00 0.00 1.00 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 1.11 0.97 0.00 0.00 26 L 8.93 4.12 0.00 1.67 1.52 0.92 0.75 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 27 P 0.00 4.24 0.00 2.02 2.12 0.00 3.46 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 28 D 7.96 4.49 0.00 2.80 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 29 G 8.52 4.18 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 0.00 0.00 0.00 30 T 8.54 4.28 4.32 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 1.24 0.00 0.00 31 V 8.11 4.90 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 0.92 0.00 0.00 1.02 0.00 0.00 32 D 8.69 4.60 0.00 2.88 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 33 G 8.84 4.59 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 T 8.80 4.99 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 1.51 0.00 0.00 35 R 8.90 4.21 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 36 D 8.15 4.57 0.00 2.85 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 37 R 8.71 3.72 0.00 1.90 1.97 0.00 2.62 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 S 8.87 4.38 0.00 3.95 3.94 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 39 D 7.69 4.37 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.27 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.24 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 41 H 9.34 4.82 0.00 3.29 3.41 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.32 4.68 1.94 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.58 1.06 0.00 0.00 43 Q 7.36 4.50 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 44 F 9.15 5.25 0.00 2.89 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 45 Q 9.35 4.79 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 46 L 8.65 5.23 0.00 1.81 1.61 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.67 4.60 0.00 3.90 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 48 A 8.25 4.37 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 49 E 9.29 3.95 0.00 1.74 1.71 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 2.24 2.33 0.00 50 S 6.87 4.66 0.00 4.00 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 51 V 8.15 3.88 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 0.93 0.00 0.00 1.03 0.00 0.00 52 G 9.24 3.94 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 0.00 0.00 0.00 53 E 8.25 5.22 0.00 2.06 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 0.00 2.18 2.26 0.00 54 V 8.89 4.88 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 0.71 0.00 0.00 1.16 0.00 0.00 55 Y 8.81 5.19 0.00 2.99 3.06 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 0.00 0.00 0.00 0.00 56 I 8.65 4.31 1.60 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.68 0.29 0.00 0.00 57 K 8.69 4.53 0.00 1.27 1.59 0.00 0.98 0.00 0.00 1.34 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 0.34 7.81 58 S 9.10 4.36 0.00 3.91 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 59 T 8.35 3.76 4.15 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 1.17 0.00 0.00 60 E 8.19 4.02 0.00 1.86 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 2.15 2.32 0.00 61 T 8.08 4.30 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 1.23 0.00 0.00 62 G 8.24 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 63 Q 7.64 4.52 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 64 Y 8.95 4.82 0.00 2.93 2.95 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 65 L 8.92 4.40 0.00 1.49 1.39 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.81 5.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.58 5.40 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 68 D 9.64 5.29 0.00 2.98 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 69 T 8.52 4.09 4.36 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 1.33 0.00 0.00 70 D 8.44 4.64 0.00 2.68 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 71 G 8.64 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 0.00 0.00 0.00 72 L 8.09 4.57 0.00 1.90 1.62 0.88 0.48 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 73 V 8.27 4.80 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 0.83 0.00 0.00 1.00 0.00 0.00 74 Y 9.20 4.94 0.00 3.02 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 75 G 8.84 4.22 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 0.00 76 S 9.00 5.13 0.00 3.78 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 77 Q 9.06 4.24 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.57 4.52 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 1.21 0.00 0.00 79 P 0.00 3.83 0.00 0.97 0.49 0.00 3.38 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 80 N 7.98 5.18 0.00 2.91 2.93 0.00 0.00 5.91 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 81 E 8.86 4.02 0.00 2.05 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 0.00 2.28 2.33 0.00 82 E 9.01 4.13 0.00 2.23 2.25 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 2.38 2.44 0.00 83 C 8.02 5.03 0.00 3.33 3.34 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 84 L 7.38 4.30 0.00 1.36 1.32 0.76 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.90 5.16 0.00 3.11 3.09 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 0.00 0.00 0.00 86 L 9.14 4.80 0.00 1.52 1.61 0.90 0.79 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 87 E 8.79 4.39 0.00 2.11 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 2.18 1.97 0.00 88 R 8.51 4.80 0.00 1.77 1.81 0.00 3.05 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 89 L 8.55 4.73 0.00 1.53 1.68 0.97 0.72 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 90 E 9.09 4.67 0.00 2.23 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 2.30 2.43 0.00 91 E 9.57 3.93 0.00 2.38 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 0.00 2.28 2.37 0.00 92 N 8.53 4.32 0.00 2.84 2.88 0.00 0.00 6.88 8.16 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 93 H 8.46 4.83 0.00 2.88 3.01 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.84 4.49 0.00 3.12 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 95 N 9.54 5.48 0.00 3.05 2.71 0.00 0.00 6.93 7.08 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 96 T 8.74 5.20 4.46 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 1.35 0.00 0.00 97 Y 8.69 4.95 0.00 2.68 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 98 I 8.56 4.58 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.54 0.58 0.00 0.00 99 S 8.96 3.83 0.00 3.89 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 0.00 100 K 8.68 3.94 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.94 3.71 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.00 1.29 7.81 102 H 8.12 4.60 0.00 3.16 2.43 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.77 3.94 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 0.00 104 E 7.99 3.91 0.00 1.79 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 2.08 2.13 0.00 105 K 7.58 3.96 0.00 0.79 1.17 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.01 0.86 7.81 106 N 7.60 3.90 0.00 3.01 3.05 0.00 0.00 6.87 6.95 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 0.00 107 W 7.56 5.05 0.00 3.24 3.01 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 0.00 0.00 0.00 108 F 9.09 5.45 0.00 2.88 3.01 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 0.00 0.00 0.00 109 L 9.18 4.42 0.00 1.57 1.51 0.79 0.46 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 0.00 110 G 8.57 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 0.00 0.00 0.00 0.00 111 L 8.45 5.28 0.00 1.42 1.42 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.93 4.30 0.00 1.93 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 113 K 8.48 4.09 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.58 7.81 114 N 8.08 4.54 0.00 2.79 2.90 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.57 3.51 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 0.00 116 S 7.95 5.01 0.00 3.90 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 0.00 117 C 8.55 4.77 0.00 2.89 2.92 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 0.00 118 K 8.73 4.40 0.00 1.62 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.38 7.81 119 R 8.35 4.44 0.00 1.71 1.57 0.00 3.05 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 120 G 8.48 3.33 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 0.00 121 P 0.00 4.36 0.00 2.00 2.20 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 122 R 8.03 4.47 0.00 1.77 1.92 0.00 3.29 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 123 T 7.55 5.30 4.34 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 1.28 0.00 0.00 124 H 7.93 4.80 0.00 3.41 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.74 4.09 0.00 3.15 2.92 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 0.00 126 G 9.02 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 0.00 0.00 0.00 127 Q 7.59 4.21 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.76 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 128 K 8.34 3.76 0.00 1.76 1.65 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.27 7.81 129 A 8.05 3.98 1.24 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 0.00 0.00 0.00 130 I 6.73 4.46 1.68 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.09 0.64 0.00 0.00 131 L 7.31 4.37 0.00 0.99 0.60 0.30 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.55 5.29 0.00 3.33 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 0.00 133 L 9.14 5.31 0.00 1.92 1.73 1.12 0.92 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 0.00 134 P 0.00 5.17 0.00 2.18 2.23 0.00 3.80 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 2.05 2.13 0.00 135 L 9.09 5.03 0.00 1.67 1.62 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.57 0.00 2.07 2.08 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 137 V 8.19 3.87 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 0.75 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.