NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4806 8.3044 120.3326 55.3317 32.4669 173.9210 2 E 5.0882 8.6223 124.5771 52.4327 32.4846 173.3758 3 S 4.9881 9.3446 120.0986 56.5033 67.0907 172.2985 4 V 4.9409 8.4029 120.4871 61.5014 33.9056 174.5812 5 T 4.6486 9.0872 124.4710 61.8726 71.2562 173.1262 6 R 4.7081 8.6145 125.6281 55.0237 31.9405 175.9694 7 I 4.4491 8.5290 124.0581 59.1821 40.8227 174.4253 8 K 4.3802 8.6273 129.0182 55.5118 32.8355 176.5744 9 V 3.9516 8.2305 128.5221 63.3415 32.1253 175.6952 10 R 4.7643 9.4775 127.1810 55.0107 31.9024 176.7944 11 Y 3.3979 9.0028 122.1653 60.6528 38.7356 178.5529 12 A 4.0798 8.0657 120.4253 54.7695 18.6649 177.8241 13 E 4.1732 8.3029 114.7756 57.4296 30.0109 176.6354 14 T 4.7406 7.3305 109.4504 60.3808 70.1269 174.0358 15 D 5.0108 8.6702 123.0883 51.5941 42.0105 176.7001 16 Q 3.9844 8.5625 116.6835 59.6630 28.6457 177.6555 17 M 4.1290 8.4823 115.8920 55.9933 31.9775 177.2618 18 G 3.8855 8.3769 107.4077 45.3758 0.0000 173.1558 19 V 4.6780 7.2775 111.8121 58.5405 36.1199 174.9047 20 V 4.0303 8.2812 122.5334 63.2019 31.8042 175.3779 21 H 4.4439 9.4002 128.9129 55.8875 29.9176 175.8354 22 H 3.9576 8.6537 121.3150 58.8481 27.7584 177.7808 23 S 4.2119 7.7018 116.0638 60.8917 62.9634 176.3743 24 V 3.2607 7.8219 122.3199 65.7241 31.0288 177.3033 25 Y 3.7191 7.7134 115.7908 60.9679 37.6802 178.5298 26 A 3.9014 7.6545 121.2381 55.1844 18.4747 179.8947 27 V 3.5632 7.6451 116.7456 66.0476 31.5324 177.9795 28 Y 4.3704 7.5319 116.1967 61.2229 37.7478 178.2462 29 L 3.5884 8.1050 120.0875 57.4408 41.5079 179.3588 30 E 3.7930 8.0647 119.0412 59.2824 29.6305 178.7074 31 A 4.0664 8.1155 120.5867 55.0568 18.3187 179.5310 32 A 4.1173 8.0368 120.6418 54.7883 18.4466 179.8368 33 R 3.5587 8.2698 117.6225 59.5420 30.0405 178.9569 34 V 3.5926 8.2204 118.5093 65.8811 31.3990 177.5424 35 D 4.3308 8.3089 118.0888 57.1580 41.1619 177.9352 36 F 4.0616 8.5818 121.5893 61.4466 39.4376 177.1619 37 L 4.1967 8.4297 118.7889 57.7257 41.3966 179.1460 38 E 4.0008 8.5664 119.5392 59.4526 29.4093 179.1412 39 R 3.9156 8.1285 117.0605 58.9252 30.1849 178.1368 40 A 4.1886 7.4971 117.7820 52.3005 18.3862 177.9521 41 G 3.8356 8.0687 105.5970 45.8119 0.0000 174.6826 42 L 4.8029 8.0219 116.5918 51.8876 41.9228 175.7392 43 P 4.2736 0.0000 0.0000 63.3805 31.8442 176.9797 44 Y 4.2100 9.0767 124.9485 61.0082 38.6692 177.7097 45 H 4.0813 8.3384 115.5050 58.6444 28.4339 177.6794 46 R 3.8387 7.7079 120.9345 58.6635 29.9012 178.9676 47 V 3.3967 7.3358 117.6601 66.0447 31.5328 177.8678 48 E 3.6482 7.9907 119.5582 58.2091 28.9213 178.8433 49 A 3.9242 7.2563 120.3744 55.0875 18.4248 178.9721 50 R 4.2585 7.2601 111.0756 56.1605 29.9095 177.1192 51 G 3.7589 8.3506 107.7920 45.9469 0.0000 172.7176 52 V 4.6694 6.9488 119.5082 60.6854 33.7023 174.7122 53 F 4.9918 9.1600 125.5313 55.3669 43.2256 174.3161 54 F 6.2241 9.4338 120.3281 54.5579 37.7351 173.5990 55 P 4.5612 0.0000 0.0000 62.8963 33.0159 177.2020 56 V 4.1591 8.4368 122.4752 63.1547 31.6505 175.8513 57 V 4.4498 8.9476 120.3202 61.4088 33.6402 175.5556 58 E 4.7525 7.8509 120.6977 54.9212 32.9437 173.3388 59 L 4.9229 8.5367 128.0323 53.3076 45.4992 175.6569 60 G 3.6769 7.6890 110.4855 44.7583 0.0000 171.7336 61 L 4.8746 8.1336 123.3698 53.3114 46.1718 175.3730 62 T 4.2221 8.7264 119.9038 61.6569 71.4676 172.9589 63 F 4.5852 8.5167 125.7031 56.5528 39.5724 175.6262 64 R 4.4606 8.8415 122.7204 57.6567 31.1391 176.8987 65 A 4.9187 8.2400 119.9024 49.3267 22.7273 173.8765 66 P 4.7717 0.0000 0.0000 62.7245 32.8667 175.2785 67 A 5.0809 8.4454 121.3093 50.5102 22.1835 176.1663 68 R 4.9440 9.3537 118.2420 53.7515 34.1770 175.1054 69 F 4.3798 8.6707 122.5060 59.6507 39.7836 175.3935 70 G 3.5785 7.9922 114.7534 44.8450 0.0000 172.8188 71 E 4.6539 7.7809 118.5999 54.5565 32.9025 174.8497 72 V 4.7297 8.1249 120.2241 61.3624 33.8660 175.1636 73 V 4.5531 8.7045 120.9547 59.8151 34.9272 174.4126 74 E 5.0028 9.4401 121.7534 54.5912 32.9410 175.2523 75 V 4.7664 8.9350 124.8079 61.3393 34.0437 174.3193 76 R 5.2051 9.1262 128.8569 55.1733 31.7811 175.8366 77 T 5.1788 9.1878 114.7394 59.9685 72.3329 173.1613 78 R 4.8814 8.0816 118.2459 54.8080 33.4850 174.1582 79 L 3.8955 8.3676 123.5110 54.0175 41.1424 175.8212 80 A 4.1890 8.3251 129.5513 54.1165 19.2667 177.4064 81 E 4.5236 7.6148 113.0896 54.6310 34.2132 174.7929 82 L 4.9664 7.9533 123.6684 54.0061 45.5302 174.9436 83 S 4.8604 8.9373 120.9903 56.9761 67.4143 174.8353 84 S 4.1553 8.6028 114.3808 60.1943 62.6277 175.4480 85 R 4.6761 7.9136 117.7495 55.8080 33.1174 174.7762 86 A 5.3224 7.9568 118.8675 50.3000 23.4849 174.6618 87 L 4.9485 8.7908 117.4927 53.0392 46.8095 175.5864 88 L 5.0829 8.3907 123.6323 53.4608 45.1302 174.9688 89 F 4.9977 9.2883 125.3695 55.7738 41.6371 175.0858 90 R 5.1430 8.2702 120.6802 54.7748 33.9778 174.2464 91 Y 5.4475 9.3684 118.7097 56.6440 43.2814 174.4456 92 R 5.0001 8.9374 119.1967 54.7085 34.3230 174.4531 93 V 4.7872 9.4388 125.6807 61.5168 33.3074 174.5026 94 E 5.2700 9.6974 126.6638 54.7581 34.8517 174.9005 95 R 4.4275 8.8159 120.7267 54.5680 32.7435 174.7044 96 E 3.8225 9.7161 128.5579 57.4043 26.7209 176.0089 97 G 3.9614 8.0160 104.2007 45.3709 0.0000 172.2274 98 V 4.1141 7.3874 120.4156 60.9257 32.7443 174.4894 99 L 4.4934 8.4092 129.2206 54.6997 42.1520 175.8492 100 L 4.4882 9.4501 127.3728 56.4901 43.0564 176.8186 101 A 4.9940 7.6375 117.5694 51.0285 22.6763 174.9297 102 E 4.9728 8.5073 116.7374 55.2131 33.7732 175.4613 103 G 4.1278 8.4518 105.5559 47.1745 0.0000 171.5797 104 F 5.7403 8.0579 114.3077 56.5937 42.1418 173.2426 105 T 5.1211 9.5353 113.5402 60.9184 70.9310 172.0588 106 R 5.2401 9.3454 129.6626 55.1800 32.6367 174.4700 107 H 5.6086 9.7986 122.0020 54.1792 33.5470 172.1286 108 L 5.3173 8.7898 119.1933 53.2510 46.1089 174.7232 109 C 5.6079 8.4552 119.4627 58.0232 34.1881 172.6424 110 Q 5.0937 9.3586 124.2873 53.9636 32.4355 175.9476 111 V 5.3856 9.0106 120.0560 61.5430 32.5685 174.9064 *113 E 4.0994 8.0747 115.0554 55.7099 30.5492 175.0431 114 R 4.5520 8.1737 121.4959 54.0722 33.3947 173.9558 115 A 4.4444 8.5573 127.1775 53.1605 18.9121 175.9972 116 A 4.5537 8.2436 120.7404 51.2036 22.8029 176.4595 117 R 4.3829 8.5348 118.2054 55.7385 31.4013 176.9469 118 I 4.1759 8.7988 123.4317 60.4706 37.6458 174.7914 119 P 4.2708 0.0000 0.0000 63.0084 31.4848 176.1709 120 E 3.8530 8.7304 121.6927 59.9527 29.4011 178.7869 121 D 4.4361 8.2214 118.1112 57.0129 39.2977 178.8407 122 I 3.8247 7.7887 120.6201 64.1152 37.1562 177.6308 123 Y 4.0173 8.5123 120.8075 60.5291 38.3942 177.9331 124 R 3.8935 8.3140 118.9230 59.2967 30.5098 178.1373 125 A 4.1057 7.7835 120.4437 55.2915 18.4028 179.4406 126 L 3.9050 7.9083 117.4662 58.1617 41.7995 179.7330 127 S 3.8498 8.0876 113.2010 61.4367 61.9951 176.5537 128 V 3.7458 7.4854 113.6594 63.2573 31.3711 177.4227 129 L 4.4082 7.7961 117.2320 54.2012 42.4327 175.7560 130 H 4.9463 7.4083 118.1496 53.8633 32.3964 172.4348 131 L 4.6084 7.7713 126.1741 52.6032 44.9763 176.2616 132 K 4.0580 8.6111 123.3395 56.9112 31.9208 176.7182 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 4.48 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 E 8.62 5.09 0.00 2.07 1.83 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 2.24 2.63 0.00 3 S 9.34 4.99 0.00 3.97 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 4 V 8.40 4.94 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 0.86 0.00 0.00 0.97 0.00 0.00 5 T 9.09 4.65 4.27 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 1.25 0.00 0.00 6 R 8.61 4.71 0.00 1.66 1.81 0.00 3.13 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 7 I 8.53 4.45 1.37 0.00 0.00 0.65 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 0.57 0.63 0.00 0.00 8 K 8.63 4.38 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.35 7.81 9 V 8.23 3.95 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 0.96 0.00 0.00 0.94 0.00 0.00 10 R 9.48 4.76 0.00 2.12 1.94 0.00 3.45 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 11 Y 9.00 3.40 0.00 2.47 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 12 A 8.07 4.08 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 13 E 8.30 4.17 0.00 2.25 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 2.26 2.26 0.00 14 T 7.33 4.74 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 15 D 8.67 5.01 0.00 2.86 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 16 Q 8.56 3.98 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 17 M 8.48 4.13 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 18 G 8.38 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 19 V 7.28 4.68 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 0.80 0.00 0.00 1.02 0.00 0.00 20 V 8.28 4.03 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 0.41 0.00 0.00 1.03 0.00 0.00 21 H 9.40 4.44 0.00 3.15 3.05 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.65 3.96 0.00 2.42 2.74 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.70 4.21 0.00 4.03 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 24 V 7.82 3.26 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 0.28 0.00 0.00 0.84 0.00 0.00 25 Y 7.71 3.72 0.00 3.39 3.12 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 26 A 7.65 3.90 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 27 V 7.65 3.56 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 1.03 0.00 0.00 0.87 0.00 0.00 28 Y 7.53 4.37 0.00 3.15 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 29 L 8.10 3.59 0.00 1.45 0.56 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.06 3.79 0.00 2.10 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 0.00 2.30 2.29 0.00 31 A 8.12 4.07 1.40 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 0.00 0.00 32 A 8.04 4.12 1.48 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 33 R 8.27 3.56 0.00 1.70 1.99 0.00 2.48 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 34 V 8.22 3.59 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 1.12 0.00 0.00 1.01 0.00 0.00 35 D 8.31 4.33 0.00 2.98 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 36 F 8.58 4.06 0.00 3.20 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 37 L 8.43 4.20 0.00 2.01 2.11 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.57 4.00 0.00 2.24 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 2.41 0.00 39 R 8.13 3.92 0.00 1.78 1.88 0.00 3.16 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 40 A 7.50 4.19 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 41 G 8.07 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 42 L 8.02 4.80 0.00 1.82 1.74 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.27 0.00 2.06 2.28 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 44 Y 9.08 4.21 0.00 3.16 3.14 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 45 H 8.34 4.08 0.00 3.45 3.59 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.71 3.84 0.00 1.91 1.90 0.00 3.25 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.66 0.00 47 V 7.34 3.40 1.89 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 0.78 0.00 0.00 1.08 0.00 0.00 48 E 7.99 3.65 0.00 1.64 1.66 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 1.62 1.47 0.00 49 A 7.26 3.92 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 50 R 7.26 4.26 0.00 1.86 1.95 0.00 3.03 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 51 G 8.35 3.76 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 0.00 0.00 0.00 52 V 6.95 4.67 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 0.61 0.00 0.00 0.78 0.00 0.00 53 F 9.16 4.99 0.00 2.92 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 54 F 9.43 6.22 0.00 3.02 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 55 P 0.00 4.56 0.00 2.20 2.28 0.00 4.28 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 56 V 8.44 4.16 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 0.78 0.00 0.00 0.90 0.00 0.00 57 V 8.95 4.45 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 0.77 0.00 0.00 1.02 0.00 0.00 58 E 7.85 4.75 0.00 2.11 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 2.63 2.43 0.00 59 L 8.54 4.92 0.00 1.53 1.38 0.79 0.93 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 60 G 7.69 3.68 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 0.00 0.00 0.00 61 L 8.13 4.87 0.00 1.16 0.42 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.73 4.22 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 63 F 8.52 4.59 0.00 2.82 2.82 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 64 R 8.84 4.46 0.00 1.95 1.98 0.00 3.31 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 65 A 8.24 4.92 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 66 P 0.00 4.77 0.00 2.15 2.11 0.00 3.78 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 2.03 2.00 0.00 67 A 8.45 5.08 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 68 R 9.35 4.94 0.00 1.95 1.83 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 69 F 8.67 4.38 0.00 2.96 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 70 G 7.99 3.58 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 0.00 0.00 0.00 71 E 7.78 4.65 0.00 2.01 1.82 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 2.20 2.25 0.00 72 V 8.12 4.73 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 0.76 0.00 0.00 0.87 0.00 0.00 73 V 8.70 4.55 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 0.66 0.00 0.00 0.52 0.00 0.00 74 E 9.44 5.00 0.00 1.84 1.81 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 2.18 2.32 0.00 75 V 8.94 4.77 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 1.14 0.00 0.00 0.90 0.00 0.00 76 R 9.13 5.21 0.00 1.84 2.08 0.00 3.15 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 77 T 9.19 5.18 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 1.47 0.00 0.00 78 R 8.08 4.88 0.00 1.85 2.03 0.00 2.75 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 79 L 8.37 3.90 0.00 1.29 1.54 -0.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.33 4.19 1.15 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 0.00 0.00 81 E 7.61 4.52 0.00 1.70 1.64 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 2.19 2.15 0.00 82 L 7.95 4.97 0.00 1.25 1.20 0.77 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.94 4.86 0.00 3.92 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 84 S 8.60 4.16 0.00 3.79 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 85 R 7.91 4.68 0.00 1.91 1.99 0.00 3.08 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 86 A 7.96 5.32 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 87 L 8.79 4.95 0.00 1.40 1.02 0.83 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.39 5.08 0.00 1.68 1.38 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.29 5.00 0.00 2.89 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 0.00 0.00 0.00 90 R 8.27 5.14 0.00 1.64 1.77 0.00 3.01 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 91 Y 9.37 5.45 0.00 2.82 2.82 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 92 R 8.94 5.00 0.00 1.79 1.83 0.00 3.12 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 93 V 9.44 4.79 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 1.20 0.00 0.00 1.12 0.00 0.00 94 E 9.70 5.27 0.00 1.88 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 2.25 2.27 0.00 95 R 8.82 4.43 0.00 1.84 1.77 0.00 3.24 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 96 E 9.72 3.82 0.00 2.10 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 2.23 2.28 0.00 97 G 8.02 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 98 V 7.39 4.11 2.21 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 1.05 0.00 0.00 0.95 0.00 0.00 99 L 8.41 4.49 0.00 1.65 1.60 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.45 4.49 0.00 1.88 2.03 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.64 4.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.51 4.97 0.00 2.03 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 2.13 2.20 0.00 103 G 8.45 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 0.00 104 F 8.06 5.74 0.00 3.35 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 0.00 105 T 9.54 5.12 4.39 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 1.75 0.00 0.00 106 R 9.35 5.24 0.00 2.07 1.89 0.00 3.09 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 107 H 9.80 5.61 0.00 3.15 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.79 5.32 0.00 1.70 1.65 0.98 0.92 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 0.00 109 C 8.46 5.61 0.00 3.21 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 0.00 110 Q 9.36 5.09 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 111 V 9.01 5.39 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 0.71 0.00 0.00 0.95 0.00 0.00 *113 E 8.07 4.10 0.00 2.04 1.83 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 2.13 2.17 0.00 114 R 8.17 4.55 0.00 1.86 1.76 0.00 3.25 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 115 A 8.56 4.44 1.29 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 0.00 0.00 116 A 8.24 4.55 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 0.00 117 R 8.53 4.38 0.00 1.69 2.01 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 118 I 8.80 4.18 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 1.25 0.00 0.00 119 P 0.00 4.27 0.00 2.42 2.21 0.00 3.85 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 2.15 1.97 0.00 120 E 8.73 3.85 0.00 2.12 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 2.42 2.53 0.00 121 D 8.22 4.44 0.00 2.94 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 0.00 122 I 7.79 3.82 2.20 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 1.62 0.87 1.20 0.00 0.00 123 Y 8.51 4.02 0.00 3.07 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 0.00 124 R 8.31 3.89 0.00 2.19 2.08 0.00 3.47 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 125 A 7.78 4.11 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 0.00 126 L 7.91 3.91 0.00 1.63 1.59 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.09 3.85 0.00 3.43 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 0.00 128 V 7.49 3.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 129 L 7.80 4.41 0.00 1.86 1.88 0.78 1.07 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 0.00 130 H 7.41 4.95 0.00 2.95 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.77 4.61 0.00 1.48 1.37 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.61 4.06 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.