NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 E 4.3268 8.4444 116.7546 55.5009 31.5257 174.3841 29 V 3.7659 8.0415 116.9223 63.0667 32.1644 173.7942 30 Q 4.3542 9.2841 127.5358 54.6360 29.7226 175.4364 31 L 4.2960 8.2879 123.4029 54.1452 42.4434 177.1202 32 L 4.0705 8.8118 122.9037 54.4772 41.9447 177.8737 33 K 4.0998 8.4671 122.9415 57.0820 33.2429 176.1627 34 E 3.5892 8.3827 117.5950 56.9914 26.3170 173.4630 *36 P 4.1096 0.0000 0.0000 62.1692 33.1066 176.5753 37 K 4.4214 8.4390 123.9988 53.9086 33.2098 174.2941 38 P 4.5240 0.0000 0.0000 62.9277 31.7716 176.7058 39 K 4.2521 8.8877 122.7729 58.9957 33.0081 176.3367 40 A 4.5897 7.6623 118.9934 50.6376 23.6615 174.9161 *42 T 4.3968 8.2600 113.5171 63.7854 70.0621 173.6598 43 I 4.9020 8.2087 126.2453 58.9344 40.4470 174.5761 44 D 4.4571 9.0768 127.1725 54.2446 41.6988 175.0742 45 P 4.5797 0.0000 0.0000 63.7247 31.7755 177.0988 46 S 4.3665 8.2520 113.7342 59.8073 63.6047 174.7809 47 L 4.2938 7.3260 122.1549 54.2772 41.9953 177.6574 48 S 4.3873 9.2971 118.4856 57.9843 65.0606 175.3281 49 Q 3.9126 8.5572 122.8347 59.2202 28.7454 178.3949 50 K 3.8921 7.9790 120.0027 59.5481 32.1100 178.4353 51 E 4.1148 7.9501 117.1385 59.4760 29.5087 178.9508 52 A 4.1479 7.9936 119.5518 55.3955 18.7037 179.4560 53 T 3.9491 7.9206 114.5162 66.4501 68.5472 177.6572 54 E 4.2764 8.0662 118.6814 56.5976 29.6969 179.0584 *56 V 4.0738 7.7968 120.8476 64.3422 33.6692 176.8791 57 H 4.2566 8.9804 116.9438 58.8615 28.4813 177.4721 58 A 4.0027 8.2477 122.2715 55.3054 18.2407 179.6118 59 A 4.1329 8.0588 118.6761 55.4356 18.4845 179.7035 60 Q 4.1451 8.4622 116.7076 59.2559 28.6928 179.2763 61 R 3.9413 8.2408 119.1571 59.0406 30.0732 178.8224 62 F 4.1797 8.2717 120.4750 61.6874 39.3086 176.8013 63 Y 4.4651 7.9914 115.6487 60.4224 37.6123 177.8676 64 A 4.0050 8.3980 122.5701 54.9478 18.3878 179.3642 65 F 3.9210 8.3463 119.3725 61.3360 39.2405 177.5408 66 W 3.8600 7.4377 116.9863 59.5011 28.8692 177.7150 67 D 4.5362 8.2934 118.0641 56.3608 40.7629 177.3080 68 T 4.4840 7.9541 108.4342 60.2441 70.3915 175.2434 69 G 3.4207 8.0288 108.6573 45.7190 0.0000 173.8109 70 K 4.2198 7.5900 120.2577 55.6184 31.4495 177.8495 71 E 4.1576 8.8472 125.5678 58.9197 29.1796 178.9148 72 E 4.0280 8.1929 116.5274 59.0577 29.6630 178.7044 73 L 4.0834 8.0371 119.9323 57.1447 41.4879 179.1026 74 I 3.3176 7.4644 120.6523 63.7363 36.8448 176.5819 75 P 4.1890 0.0000 0.0000 65.6176 31.1905 177.8312 76 Q 4.1202 7.5576 116.9495 57.8446 28.8586 176.6512 77 T 4.3627 7.5740 115.5944 63.8350 70.7512 174.3743 78 V 4.7861 7.4350 112.4286 59.1476 34.7137 175.4565 79 T 4.2379 8.4393 114.6981 61.5577 69.5719 176.3815 80 E 4.0058 8.7085 117.9057 58.5854 29.7723 177.6924 81 N 4.9736 7.9361 113.4746 52.9867 39.3706 174.3923 82 F 4.8816 7.9356 120.8354 58.4927 40.5619 173.8305 83 F 4.6650 7.8978 126.7946 56.1813 42.5264 172.6310 84 D 4.8163 8.1277 126.8262 52.6186 40.9842 175.9635 85 H 4.5574 8.7499 124.5288 56.8646 29.2194 175.7484 86 T 4.7247 7.9867 108.8502 60.6248 67.6809 175.2585 87 L 4.1942 7.8143 122.9013 55.0140 42.9053 174.4222 88 P 4.3071 0.0000 0.0000 62.7905 31.9622 176.7450 89 K 4.0684 8.4642 123.0744 56.3495 31.8178 177.3540 90 G 3.9280 8.8306 111.5695 44.4662 0.0000 173.1790 91 R 3.7112 7.6169 120.4350 54.2003 31.1404 174.4137 92 P 4.1815 0.0000 0.0000 62.5019 32.0103 175.7630 93 Q 4.0367 8.2007 122.3601 56.9038 30.0194 177.1693 94 G 4.2461 8.3720 110.8970 44.8826 0.0000 173.5813 95 T 3.8738 8.6180 107.7821 65.2418 68.3444 175.9147 96 E 4.1664 8.2990 120.7505 58.9891 29.4246 179.3088 97 G 4.2180 8.0357 107.3479 47.0963 0.0000 175.9034 98 L 4.2997 7.8777 120.9498 57.5709 41.6066 179.5145 99 K 4.0885 8.0865 117.9900 59.5158 32.0779 178.7086 100 F 4.1146 8.4297 120.5146 61.4686 39.2375 177.0069 101 A 4.0793 8.7709 120.1553 55.2389 18.2727 179.5013 102 A 4.2712 8.3637 119.1738 55.5189 18.4510 179.9349 103 Q 3.9467 8.2295 116.6033 59.1081 28.6327 178.7046 104 N 4.1223 8.1102 117.5537 56.3113 38.4504 177.3702 105 F 4.1570 8.4220 119.5020 60.8001 38.8915 177.9545 106 R 4.2830 8.2541 117.3166 58.6027 29.5741 179.2552 107 K 3.9939 7.7914 118.4367 59.4419 32.4985 178.9372 108 I 4.2064 7.6087 113.2955 62.3388 38.9099 175.1988 109 V 4.8288 8.1697 120.2551 59.4757 31.3627 173.2404 110 P 4.5814 0.0000 0.0000 63.6843 31.6350 176.9018 111 N 4.9578 7.8498 113.6880 52.1344 37.7759 174.4875 112 I 4.0905 7.5894 119.1022 62.7874 38.8894 174.4705 113 H 5.2024 9.2353 127.4046 54.4968 33.3142 171.3122 114 C 4.7109 9.2769 125.6975 57.3926 33.6488 172.7552 115 E 4.5604 8.4873 125.0975 54.4424 33.1166 175.3837 116 I 4.1221 8.0134 124.0797 60.4295 37.3750 176.2966 117 E 4.0115 9.1095 129.1128 59.0491 30.6422 176.9247 118 D 4.9535 7.6600 117.0186 52.8576 45.0041 173.8859 119 L 5.1761 8.5419 126.3251 53.3446 45.1313 175.4043 120 L 4.8841 9.2026 126.2145 53.1224 44.8339 175.5371 121 V 4.9397 8.8193 125.4710 60.9170 34.0210 174.8796 122 V 4.7333 8.9620 127.0915 60.4823 35.0352 174.1554 123 G 3.9139 9.0339 113.8973 47.3553 0.0000 173.7999 124 D 4.9282 8.8611 124.2488 53.4411 41.3058 174.9624 125 K 5.2632 8.2981 119.4285 54.6368 36.0722 175.3282 126 V 4.9737 8.8762 121.9873 61.7124 35.0175 174.0790 127 T 5.1726 9.1322 124.7226 62.0436 70.6852 173.4028 128 A 5.1602 9.1855 128.0180 50.0540 22.2473 174.7519 129 R 4.9324 8.8926 122.7713 54.5994 32.3559 174.8716 130 L 5.1216 9.0062 126.5176 52.7349 45.4473 175.4021 131 S 4.9053 8.5662 116.3139 56.5011 65.7756 172.6925 132 F 5.1021 8.9521 123.2761 55.6695 41.2919 174.7472 133 T 5.0745 9.1292 112.8556 59.8373 72.8071 174.4859 134 G 4.2223 7.3436 107.9798 46.5322 0.0000 171.1246 135 T 4.9215 8.9105 116.4005 62.0238 71.8217 173.3736 136 H 4.8893 9.1695 125.9691 54.1135 31.3418 176.3604 137 N 4.1003 8.7249 128.2598 54.4737 37.2509 175.1889 138 D 4.8962 9.2607 121.2098 53.4654 40.2604 176.0492 139 K 4.6435 7.9673 119.2365 54.8208 35.0033 175.6304 140 K 4.7044 8.6457 122.8736 56.3691 33.1734 176.2585 141 I 4.7588 8.7870 125.0438 59.8725 40.1101 174.8070 142 D 4.7208 9.9736 126.4386 53.9970 43.1277 174.0778 143 F 5.3334 9.2008 121.2306 55.3737 42.1811 173.2201 144 F 5.4967 9.0090 113.9019 55.4569 41.4235 173.4759 145 A 5.0027 8.8565 119.1658 50.9201 23.2407 175.2783 146 I 5.1816 8.9302 119.3713 59.8450 41.3697 174.5527 147 D 5.6773 9.3992 125.6414 52.6240 45.3767 174.6878 148 I 5.0917 9.2787 122.2646 59.7210 40.2219 174.4459 149 L 5.3246 9.5503 127.4327 53.2676 44.6449 174.8453 150 H 5.3382 9.4128 123.9079 54.7820 31.6550 173.5117 151 V 4.8551 9.1517 126.3649 61.0542 33.8974 174.8757 152 K 4.5102 8.8596 127.1888 55.7402 34.8688 176.1774 153 D 4.4721 9.8345 124.3991 55.5625 38.3106 174.6826 154 G 3.9781 8.5179 103.4471 45.5938 0.0000 173.7986 155 K 4.7189 7.7276 117.9893 54.0582 35.8782 175.4096 156 I 4.4677 8.5457 123.9938 61.6322 37.4860 176.8053 157 T 4.3803 9.3176 118.4910 62.8527 70.5270 174.4270 158 E 4.9604 7.9606 117.7013 55.4840 32.6992 173.8783 159 D 5.3571 8.2615 119.2083 52.0179 43.7520 173.9012 160 W 5.1136 9.6064 119.3211 55.2733 32.3550 174.3775 161 H 5.5987 9.6986 119.5232 54.4291 31.7734 172.6917 162 L 4.6262 9.0570 121.0704 54.0663 45.5172 174.7239 163 E 4.8573 8.7389 125.2626 54.9110 32.0777 176.7288 164 D 4.4844 8.1394 121.6319 53.6092 38.4783 176.7506 165 N 4.1327 7.9056 121.3495 55.2435 39.0602 176.4564 166 L 3.8830 7.6960 121.6713 58.2698 42.3094 178.7735 167 T 3.8525 7.7706 115.7915 66.5416 68.3726 176.1434 168 L 3.7915 7.7935 122.1168 58.2222 42.0391 179.1765 169 K 3.8648 8.1333 118.4689 59.4834 31.9507 179.3383 170 Q 4.2993 8.0297 119.5555 58.6931 28.4501 178.9830 171 Q 4.0744 8.0074 117.7598 58.8285 28.8436 178.3499 172 L 4.1962 7.9530 118.3885 55.5401 41.7138 178.1145 173 G 3.9418 7.8725 107.0708 45.5860 0.0000 174.3456 174 L 4.3214 7.7319 119.6772 55.7375 42.1871 176.8734 175 I 4.4137 7.4459 117.6169 60.2861 41.3094 174.8193 176 A 4.1572 8.4542 124.0082 52.8008 18.5511 176.7496 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 28 E 8.44 4.33 0.00 2.01 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 1.88 0.00 29 V 8.04 3.77 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 0.93 0.00 0.00 0.93 0.00 0.00 30 Q 9.28 4.35 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 31 L 8.29 4.30 0.00 1.66 1.63 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.81 4.07 0.00 1.67 1.56 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.47 4.10 0.00 1.74 1.74 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 E 8.38 3.59 0.00 2.11 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 2.22 2.25 0.00 *36 P 0.00 4.11 0.00 2.14 2.02 0.00 3.91 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 37 K 8.44 4.42 0.00 1.71 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 38 P 0.00 4.52 0.00 2.09 2.04 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 39 K 8.89 4.25 0.00 1.75 1.84 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.49 7.81 40 A 7.66 4.59 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 *42 T 8.26 4.40 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 43 I 8.21 4.90 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.92 0.00 0.00 44 D 9.08 4.46 0.00 2.84 2.59 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 45 P 0.00 4.58 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 46 S 8.25 4.37 0.00 4.02 4.03 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 47 L 7.33 4.29 0.00 1.74 1.65 0.94 0.89 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 48 S 9.30 4.39 0.00 4.00 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 49 Q 8.56 3.91 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 50 K 7.98 3.89 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 51 E 7.95 4.11 0.00 2.15 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 2.35 2.33 0.00 52 A 7.99 4.15 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 53 T 7.92 3.95 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 0.91 0.00 0.00 54 E 8.07 4.28 0.00 2.21 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 2.53 2.32 0.00 *56 V 7.80 4.07 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 1.07 0.00 0.00 1.03 0.00 0.00 57 H 8.98 4.26 0.00 3.24 3.34 0.00 5.70 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 58 A 8.25 4.00 1.39 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 0.00 0.00 0.00 59 A 8.06 4.13 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 4.15 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 61 R 8.24 3.94 0.00 2.04 1.98 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 62 F 8.27 4.18 0.00 2.98 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 63 Y 7.99 4.47 0.00 3.21 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 64 A 8.40 4.01 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 65 F 8.35 3.92 0.00 2.91 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 66 W 7.44 3.86 0.00 3.42 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 67 D 8.29 4.54 0.00 2.78 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 68 T 7.95 4.48 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 1.25 0.00 0.00 69 G 8.03 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 0.00 0.00 0.00 70 K 7.59 4.22 0.00 1.85 2.14 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 71 E 8.85 4.16 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 2.55 2.67 0.00 72 E 8.19 4.03 0.00 2.10 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 0.00 2.27 2.34 0.00 73 L 8.04 4.08 0.00 1.86 1.71 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.46 3.32 1.70 0.00 0.00 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 0.52 -0.31 0.63 0.00 0.00 75 P 0.00 4.19 0.00 2.17 2.13 0.00 3.90 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 76 Q 7.56 4.12 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 77 T 7.57 4.36 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 1.22 0.00 0.00 78 V 7.43 4.79 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 0.06 0.00 0.00 0.66 0.00 0.00 79 T 8.44 4.24 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 80 E 8.71 4.01 0.00 2.01 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 2.23 1.91 0.00 81 N 7.94 4.97 0.00 2.69 2.86 0.00 0.00 6.81 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.94 4.88 0.00 3.22 2.99 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 83 F 7.90 4.66 0.00 2.83 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.82 0.00 2.52 2.36 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 85 H 8.75 4.56 0.00 2.44 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.99 4.72 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 1.38 0.00 0.00 87 L 7.81 4.19 0.00 1.58 1.54 0.97 0.89 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 88 P 0.00 4.31 0.00 2.24 1.96 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 89 K 8.46 4.07 0.00 1.77 1.63 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 90 G 8.83 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 0.00 0.00 0.00 91 R 7.62 3.71 0.00 1.85 1.92 0.00 3.41 0.00 0.00 3.58 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 92 P 0.00 4.18 0.00 2.21 1.83 0.00 3.07 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 93 Q 8.20 4.04 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 94 G 8.37 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 0.00 0.00 0.00 0.00 95 T 8.62 3.87 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 1.19 0.00 0.00 96 E 8.30 4.17 0.00 2.01 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 0.00 2.41 2.33 0.00 97 G 8.04 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 98 L 7.88 4.30 0.00 1.63 1.38 0.33 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.09 4.09 0.00 2.09 1.95 0.00 1.86 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.49 7.81 100 F 8.43 4.11 0.00 3.25 3.29 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 0.00 101 A 8.77 4.08 1.88 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 0.00 102 A 8.36 4.27 1.12 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 0.00 0.00 103 Q 8.23 3.95 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 104 N 8.11 4.12 0.00 2.41 2.46 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.42 4.16 0.00 3.20 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 0.00 106 R 8.25 4.28 0.00 2.12 2.00 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 107 K 7.79 3.99 0.00 1.87 1.84 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.40 7.81 108 I 7.61 4.21 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.84 0.00 0.00 109 V 8.17 4.83 2.22 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 1.21 0.00 0.00 1.07 0.00 0.00 110 P 0.00 4.58 0.00 2.09 2.14 0.00 3.95 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 111 N 7.85 4.96 0.00 2.82 2.89 0.00 0.00 5.95 7.81 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 0.00 112 I 7.59 4.09 2.11 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 1.24 0.91 0.98 0.00 0.00 113 H 9.24 5.20 0.00 3.21 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 9.28 4.71 0.00 2.80 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 0.00 115 E 8.49 4.56 0.00 1.70 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 0.00 2.01 1.91 0.00 116 I 8.01 4.12 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 0.82 0.00 0.00 117 E 9.11 4.01 0.00 1.91 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 2.20 2.31 0.00 118 D 7.66 4.95 0.00 2.65 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 0.00 119 L 8.54 5.18 0.00 1.68 1.51 1.10 0.84 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 0.00 120 L 9.20 4.88 0.00 1.61 1.56 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.82 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 1.12 0.00 0.00 0.98 0.00 0.00 122 V 8.96 4.73 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 0.66 0.00 0.00 0.98 0.00 0.00 123 G 9.03 3.91 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 0.00 0.00 0.00 124 D 8.86 4.93 0.00 2.81 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 0.00 125 K 8.30 5.26 0.00 1.75 1.69 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.74 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.30 1.43 7.81 126 V 8.88 4.97 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 1.12 0.00 0.00 1.01 0.00 0.00 127 T 9.13 5.17 4.29 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 1.31 0.00 0.00 128 A 9.19 5.16 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 0.00 129 R 8.89 4.93 0.00 1.89 1.76 0.00 2.94 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 130 L 9.01 5.12 0.00 1.30 0.83 -0.02 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.57 4.91 0.00 3.70 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 0.00 132 F 8.95 5.10 0.00 1.51 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 0.00 0.00 0.00 0.00 133 T 9.13 5.07 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 1.23 0.00 0.00 134 G 7.34 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 0.00 135 T 8.91 4.92 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 0.00 136 H 9.17 4.89 0.00 3.24 3.23 0.00 5.98 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.72 4.10 0.00 2.75 2.16 0.00 0.00 7.07 8.06 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 0.00 138 D 9.26 4.90 0.00 2.77 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 0.00 139 K 7.97 4.64 0.00 1.97 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.40 7.81 140 K 8.65 4.70 0.00 1.68 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.44 7.81 141 I 8.79 4.76 2.09 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 1.21 1.16 1.22 0.00 0.00 142 D 9.97 4.72 0.00 2.66 2.63 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 0.00 0.00 0.00 0.00 143 F 9.20 5.33 0.00 3.07 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 0.00 144 F 9.01 5.50 0.00 3.26 3.13 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 0.00 145 A 8.86 5.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.93 5.18 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 1.06 0.00 0.00 147 D 9.40 5.68 0.00 2.99 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 0.00 148 I 9.28 5.09 2.18 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.95 0.00 0.00 149 L 9.55 5.32 0.00 1.65 1.61 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.41 5.34 0.00 3.50 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 9.15 4.86 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 0.91 0.00 0.00 0.99 0.00 0.00 152 K 8.86 4.51 0.00 1.74 1.64 0.00 1.88 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.45 7.81 153 D 9.83 4.47 0.00 2.79 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 0.00 154 G 8.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.73 4.72 0.00 1.80 1.62 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.35 7.81 156 I 8.55 4.47 1.57 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 1.01 0.00 0.00 157 T 9.32 4.38 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 1.20 0.00 0.00 158 E 7.96 4.96 0.00 1.81 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 2.29 2.15 0.00 159 D 8.26 5.36 0.00 3.13 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 0.00 160 W 9.61 5.11 0.00 3.35 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 0.00 161 H 9.70 5.60 0.00 3.42 3.49 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 9.06 4.63 0.00 1.78 1.52 0.90 0.90 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 0.00 163 E 8.74 4.86 0.00 1.92 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 2.13 2.34 0.00 164 D 8.14 4.48 0.00 2.23 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 0.00 165 N 7.91 4.13 0.00 2.72 2.74 0.00 0.00 6.64 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 0.00 166 L 7.70 3.88 0.00 1.72 1.63 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.77 3.85 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 168 L 7.79 3.79 0.00 0.94 1.41 0.80 0.28 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 0.00 169 K 8.13 3.86 0.00 1.84 1.79 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.51 7.81 170 Q 8.03 4.30 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 171 Q 8.01 4.07 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 172 L 7.95 4.20 0.00 1.68 1.59 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.87 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 0.00 174 L 7.73 4.32 0.00 1.75 1.69 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.45 4.41 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.90 0.00 0.00 176 A 8.45 4.16 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 * Residues marked with a * may have inaccurate shift predictions.