NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3530 0.0000 0.0000 62.4997 32.6192 175.5143 3 R 4.0718 8.4538 122.9636 55.0526 31.1656 174.7024 4 A 4.7052 7.9523 127.1325 49.2611 19.6380 175.1664 5 K 4.0201 7.9978 119.9191 56.5147 33.9410 178.1221 6 T 3.8994 8.8296 118.5742 66.5124 69.0188 175.8707 7 G 4.0989 8.3252 108.3052 45.3230 0.0000 174.0063 8 V 4.2604 8.0137 120.0685 61.3016 34.6041 178.7906 9 V 3.5705 7.4922 119.7065 66.1291 31.1383 177.9622 10 R 3.7797 7.8715 117.3859 59.4505 30.0058 177.8972 11 R 3.8273 8.0229 117.9911 59.8265 29.7929 178.3704 12 R 3.9090 7.7183 117.5440 59.2323 30.1881 179.2434 13 K 3.9918 7.7820 118.1090 59.7858 32.0116 179.2211 14 H 4.3382 8.4267 116.6486 58.6217 28.4890 178.1137 15 K 3.9581 8.2608 120.6330 59.2102 31.6968 178.9989 16 K 3.8080 7.9960 118.9621 59.9050 32.4100 178.4665 17 I 3.8936 7.6818 119.2919 64.3016 37.0833 178.3552 18 L 3.9917 7.9142 119.8953 57.6276 41.2455 179.4795 19 K 3.9032 8.3956 120.0250 59.4834 31.8988 178.8346 20 L 4.0275 7.5860 117.4324 56.7821 41.8209 178.1504 21 A 3.7085 7.5556 119.4595 50.4029 18.8432 176.9492 22 K 3.8239 6.7804 118.1432 58.2934 32.6190 175.6729 23 G 4.1480 9.0213 111.3464 46.2332 0.0000 173.8424 24 Y 4.6745 7.1435 115.8229 57.7193 38.6988 175.8538 25 W 4.4179 8.9450 131.4003 58.1544 32.7277 176.7130 26 G 3.5756 7.4366 113.1827 46.6808 0.0000 176.5375 27 L 4.2026 8.5181 123.5113 56.5369 41.8319 178.6272 28 R 4.1456 8.4599 118.4018 57.8763 30.0606 177.6777 29 S 4.8306 7.9461 110.1618 57.6028 64.1334 174.5831 30 K 4.2709 7.9480 119.1120 56.8032 34.1056 175.7457 31 S 4.4378 8.2614 116.8939 57.0423 61.5316 175.8831 *32 F 4.4477 8.2151 133.4445 55.3354 37.1807 172.4399 33 R 4.6728 10.6400 124.0408 56.6781 37.7400 176.6180 34 K 4.0631 7.7957 115.9958 58.6445 32.0969 179.2094 35 A 4.6861 7.8312 122.2313 54.6392 18.4416 179.2415 36 R 3.5148 7.8703 116.6795 59.6209 30.2256 178.1909 37 E 4.0005 7.6662 118.0303 59.7786 29.5938 179.4464 38 T 3.8476 7.9539 115.5766 66.8402 68.6759 176.7166 39 L 4.1273 8.3462 120.8217 57.4387 40.9669 179.6056 40 F 4.4659 7.8378 117.8303 60.7538 38.8201 177.5223 41 A 3.7052 7.6699 119.0872 54.9314 18.0041 179.5196 42 A 4.1355 7.9311 119.0541 55.0089 18.3729 180.0876 43 G 3.6336 7.8859 104.1295 47.7706 0.0000 176.0026 44 N 4.4095 7.7916 117.8521 56.1673 38.5265 176.8172 45 Y 4.4482 7.9578 118.3196 61.5232 37.9585 178.5342 46 A 4.3397 7.9195 120.9461 55.6961 17.5397 178.7790 47 Y 4.0284 8.3842 116.9933 60.9645 38.8904 178.6915 48 A 4.4320 8.9570 121.9892 55.3019 18.6576 179.1547 49 H 4.4161 9.2649 115.5573 58.4248 28.6255 178.1779 50 R 4.0173 8.2019 120.1010 58.9475 29.7674 178.8398 51 K 4.0152 7.4234 118.7309 59.6054 32.0869 179.4112 52 R 3.8780 7.8748 117.7388 59.2395 30.0734 178.8055 53 R 3.9122 8.3469 118.8810 59.6715 29.8639 178.2632 54 K 3.8746 7.6895 117.5400 59.8744 32.1022 179.4344 55 R 3.8836 7.8171 117.3780 59.2922 30.0391 178.5556 56 D 4.1542 8.5632 119.0299 57.4972 40.8015 179.0654 57 F 3.2452 7.8863 117.8356 59.8524 38.6768 177.6224 58 R 3.8546 7.1730 117.8408 59.6406 29.8435 178.6324 59 R 3.7710 7.6431 117.1300 59.6089 30.1683 178.3083 60 L 3.7761 7.4525 119.3105 58.3768 41.9312 178.6816 61 W 4.6159 8.2973 118.5270 60.2819 29.1701 178.2317 62 I 3.6921 8.4285 119.5634 64.8919 36.7927 178.5871 63 V 3.5921 8.0584 118.8546 65.9053 31.1959 178.3961 64 R 3.9265 8.0922 117.7845 59.4707 29.6375 178.8469 65 I 3.8740 8.6108 119.9001 64.4758 37.1306 178.0563 66 N 4.5841 8.5528 117.6359 56.6028 38.7477 176.5140 67 A 3.9650 7.6604 120.2346 55.3374 18.7650 178.9026 68 A 3.9391 8.0669 119.2261 55.5988 18.4129 179.2995 69 C 4.3604 7.8689 110.2289 59.8876 29.7259 175.1453 70 R 4.8790 7.5520 121.1350 57.2742 30.0293 177.4592 71 Q 4.3707 7.8107 116.8902 56.8146 29.0067 175.7780 72 H 5.0445 7.9600 116.6801 55.4385 31.1461 173.8739 73 G 4.0198 8.9118 112.0966 44.0510 0.0000 177.1599 74 L 3.8090 8.1509 124.3293 52.9537 42.8358 175.3926 75 N 5.3440 8.3655 116.8481 50.5882 41.3710 174.7171 76 Y 4.1892 8.6730 121.0886 61.3066 38.4769 178.1732 77 S 4.2520 8.4440 113.7943 62.8910 63.2022 176.5395 78 T 3.9982 8.3866 117.8433 65.8005 68.2892 176.7677 79 F 4.2858 8.6954 122.2288 61.7302 39.7312 178.2583 80 I 3.2064 7.5431 119.4373 64.1478 36.7846 177.9258 81 H 4.2241 8.5127 119.6909 59.1946 29.1424 177.1158 82 G 3.7958 8.1641 107.0358 48.0772 0.0000 174.8938 83 L 4.0026 7.5697 121.4807 57.2432 41.4648 179.3575 84 K 3.7406 7.8223 118.0197 59.7903 32.0972 178.4597 85 K 4.0595 8.2225 116.9514 59.2989 32.2095 178.9586 86 A 4.0791 8.9140 120.3062 53.6168 18.2646 178.5953 87 G 3.8215 8.3927 105.2076 45.1035 0.0000 174.3002 88 I 3.9906 7.2516 113.9583 59.9825 36.3900 175.0155 89 E 4.3928 8.3358 126.7998 56.9640 30.4907 176.4820 90 V 4.2418 7.0072 126.6910 60.3530 29.2304 178.8723 91 D 3.8778 9.4261 111.7047 52.9054 42.5686 172.5999 92 R 3.4391 7.2144 115.8098 59.6282 28.1815 179.5609 93 K 4.3969 7.2948 118.1620 58.3864 34.0337 176.5746 94 N 2.0000 6.9514 117.0303 55.8930 38.5444 176.1220 95 L 3.9346 8.1474 117.3191 56.8688 42.4207 177.3133 96 A 4.6153 7.5699 123.6036 51.5670 17.3930 177.2427 97 D 4.7369 7.6177 120.7318 53.2488 41.0527 178.7290 98 L 4.4461 7.7968 119.7315 57.4010 41.8576 178.2464 99 A 3.2602 8.0506 120.1123 54.6201 17.5004 177.6340 100 V 3.8315 7.9287 115.6195 64.2365 32.5631 175.5610 101 R 4.1433 7.5435 115.9377 56.8971 31.7957 176.4924 102 E 3.7799 8.8678 121.4512 56.9783 25.5687 174.5364 103 P 4.4091 0.0000 0.0000 65.6787 31.5753 177.8135 104 Q 3.9825 8.0456 117.9458 58.9877 28.7687 178.4458 105 V 3.5868 7.8054 118.6852 65.9026 31.5370 177.3945 106 F 3.9312 8.2220 119.8141 61.3278 39.3378 176.5474 107 A 4.0902 8.4889 120.7091 55.6399 18.1379 179.2868 108 E 3.8918 8.2095 117.3632 59.3919 29.6403 179.0304 109 L 3.9927 7.7984 119.1899 57.4433 41.6105 179.5244 110 V 3.2208 7.5856 118.5422 65.9687 31.4013 177.7529 111 E 3.8945 7.9929 117.6974 59.3734 29.3834 179.2246 112 R 3.8651 8.0257 117.6716 59.6155 30.0168 178.5812 113 A 4.0000 7.7676 118.9662 55.1461 19.0052 179.5151 114 K 4.1136 8.2778 115.4722 58.6114 32.4589 178.9268 115 A 4.0826 7.6934 122.2862 55.0947 18.7055 178.9678 116 A 4.1372 7.6139 116.1902 54.4861 18.4980 179.0832 117 Q 4.1276 7.6056 116.4223 57.1054 28.8611 176.3886 118 G 3.7484 7.7553 114.2742 45.8186 0.0000 173.1942 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 P 0.00 4.35 0.00 2.19 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.45 4.07 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 4 A 7.95 4.71 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 5 K 8.00 4.02 0.00 1.87 1.84 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 6 T 8.83 3.90 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 1.19 0.00 0.00 7 G 8.33 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.01 4.26 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 0.81 0.00 0.00 0.92 0.00 0.00 9 V 7.49 3.57 2.06 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 0.97 0.00 0.00 0.95 0.00 0.00 10 R 7.87 3.78 0.00 1.86 1.82 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 11 R 8.02 3.83 0.00 1.89 2.06 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 12 R 7.72 3.91 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 13 K 7.78 3.99 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.67 1.62 7.81 14 H 8.43 4.34 0.00 3.31 3.32 0.00 5.64 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 15 K 8.26 3.96 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 16 K 8.00 3.81 0.00 1.85 2.03 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 17 I 7.68 3.89 1.84 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 1.48 0.76 0.85 0.00 0.00 18 L 7.91 3.99 0.00 1.89 1.69 0.93 0.76 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 19 K 8.40 3.90 0.00 1.86 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 L 7.59 4.03 0.00 1.87 1.69 0.91 0.67 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 21 A 7.56 3.71 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 6.78 3.82 0.00 1.67 1.69 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 23 G 9.02 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 0.00 0.00 0.00 0.00 24 Y 7.14 4.67 0.00 3.13 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 25 W 8.95 4.42 0.00 3.54 2.93 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 26 G 7.44 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 27 L 8.52 4.20 0.00 1.78 1.76 0.95 0.88 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 28 R 8.46 4.15 0.00 2.24 2.08 0.00 3.14 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 29 S 7.95 4.83 0.00 3.87 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 30 K 7.95 4.27 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.28 7.81 31 S 8.26 4.44 0.00 3.83 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 *32 F 8.22 4.45 0.00 2.34 2.16 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 0.00 0.00 0.00 0.00 33 R 10.64 4.67 0.00 1.73 1.83 0.00 3.05 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 34 K 7.80 4.06 0.00 2.06 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.61 7.81 35 A 7.83 4.69 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.51 0.00 1.68 1.93 0.00 3.11 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.00 37 E 7.67 4.00 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 38 T 7.95 3.85 4.40 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 0.52 0.00 0.00 39 L 8.35 4.13 0.00 1.63 1.70 0.91 1.42 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 40 F 7.84 4.47 0.00 3.29 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.67 3.71 1.09 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 0.00 0.00 42 A 7.93 4.14 1.50 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 0.00 0.00 43 G 7.89 3.63 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 0.00 0.00 0.00 44 N 7.79 4.41 0.00 2.62 2.84 0.00 0.00 6.99 7.36 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 45 Y 7.96 4.45 0.00 3.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.92 4.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.03 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 48 A 8.96 4.43 1.58 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 49 H 9.26 4.42 0.00 3.20 3.36 0.00 5.82 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 50 R 8.20 4.02 0.00 1.62 1.94 0.00 3.13 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 51 K 7.42 4.02 0.00 2.13 1.80 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.46 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.44 7.81 52 R 7.87 3.88 0.00 1.83 1.93 0.00 3.14 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 53 R 8.35 3.91 0.00 2.01 2.14 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 54 K 7.69 3.87 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 55 R 7.82 3.88 0.00 1.92 1.92 0.00 3.12 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 56 D 8.56 4.15 0.00 2.62 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 57 F 7.89 3.25 0.00 2.40 1.45 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 0.00 58 R 7.17 3.85 0.00 1.82 2.04 0.00 3.14 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 59 R 7.64 3.77 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 60 L 7.45 3.78 0.00 1.44 1.46 1.00 1.14 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 61 W 8.30 4.62 0.00 3.66 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.43 3.69 1.85 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 1.38 1.21 -0.01 0.00 0.00 63 V 8.06 3.59 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 1.01 0.00 0.00 0.88 0.00 0.00 64 R 8.09 3.93 0.00 2.18 1.99 0.00 3.35 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 65 I 8.61 3.87 2.41 0.00 0.00 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 1.85 1.35 1.50 0.00 0.00 66 N 8.55 4.58 0.00 3.11 2.98 0.00 0.00 6.94 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 67 A 7.66 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.07 3.94 0.86 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 69 C 7.87 4.36 0.00 2.96 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 70 R 7.55 4.88 0.00 2.15 2.04 0.00 3.36 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 71 Q 7.81 4.37 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 72 H 7.96 5.04 0.00 3.03 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.91 4.02 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 0.00 0.00 0.00 74 L 8.15 3.81 0.00 1.95 1.83 0.94 0.25 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 75 N 8.37 5.34 0.00 3.09 3.02 0.00 0.00 5.51 7.57 0.00 0.00 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 Y 8.67 4.19 0.00 3.34 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 77 S 8.44 4.25 0.00 4.10 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 78 T 8.39 4.00 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 1.32 0.00 0.00 79 F 8.70 4.29 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.54 3.21 1.54 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.17 0.74 0.00 0.00 81 H 8.51 4.22 0.00 3.15 3.41 0.00 5.81 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 82 G 8.16 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.57 4.00 0.00 1.80 1.56 0.92 -0.09 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 84 K 7.82 3.74 0.00 1.88 1.94 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.54 7.81 85 K 8.22 4.06 0.00 1.73 1.77 0.00 1.48 0.00 0.00 1.42 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.22 7.81 86 A 8.91 4.08 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 87 G 8.39 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 0.00 0.00 0.00 88 I 7.25 3.99 1.82 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 1.25 0.52 0.88 0.00 0.00 89 E 8.34 4.39 0.00 1.92 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 2.26 2.27 0.00 90 V 7.01 4.24 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 0.75 0.00 0.00 0.90 0.00 0.00 91 D 9.43 3.88 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 3.44 0.00 2.03 1.75 0.00 3.13 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 93 K 7.29 4.40 0.00 2.19 2.46 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.80 1.79 7.81 94 N 6.95 2.00 0.00 1.44 2.24 0.00 0.00 7.00 7.78 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 95 L 8.15 3.93 0.00 1.83 1.63 0.85 0.95 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 96 A 7.57 4.62 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.74 0.00 2.86 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 98 L 7.80 4.45 0.00 1.92 2.00 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.05 3.26 0.70 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 0.00 0.00 100 V 7.93 3.83 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 0.80 0.00 0.00 0.94 0.00 0.00 101 R 7.54 4.14 0.00 1.92 1.84 0.00 3.23 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 102 E 8.87 3.78 0.00 2.23 2.19 0.00 0.00 0.00 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 2.25 0.00 103 P 0.00 4.41 0.00 2.29 2.30 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 104 Q 8.05 3.98 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 105 V 7.81 3.59 2.27 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 1.06 0.00 0.00 0.96 0.00 0.00 106 F 8.22 3.93 0.00 3.26 3.23 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 0.00 107 A 8.49 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.89 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 109 L 7.80 3.99 0.00 1.65 1.67 0.89 0.78 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 0.00 110 V 7.59 3.22 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 0.89 0.00 0.00 0.60 0.00 0.00 111 E 7.99 3.89 0.00 2.14 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 2.51 2.46 0.00 112 R 8.03 3.87 0.00 1.94 2.00 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 113 A 7.77 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.28 4.11 0.00 2.01 2.08 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.44 7.81 115 A 7.69 4.08 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 0.00 116 A 7.61 4.14 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 0.00 117 Q 7.61 4.13 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 118 G 7.76 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.