NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2611 0.0000 0.0000 62.0268 33.0143 174.8457 2 L 5.0986 7.7505 122.5563 51.4662 44.1026 174.2358 3 R 4.7758 9.2502 118.0697 54.6701 34.2734 173.5780 4 L 4.1595 8.5691 122.2139 54.6254 41.6360 176.0916 5 G 3.5752 9.1706 118.8132 47.4602 0.0000 172.7674 *7 N 4.4987 7.9763 118.6505 50.6876 39.4286 175.8367 8 G 3.9077 8.2081 105.9304 46.1320 0.0000 173.1276 9 Q 4.6478 9.2421 120.9231 54.0372 30.6340 175.2454 10 L 4.6939 8.7270 124.3314 54.8678 42.7558 176.1007 11 Q 4.7390 9.4151 124.8361 54.5027 31.8548 173.1870 12 Y 5.1991 8.8594 127.7568 55.9086 40.4101 174.4969 13 W 5.1954 7.8752 122.8915 54.1094 31.4039 173.0856 14 P 3.9210 0.0000 0.0000 61.5733 31.8893 175.9926 15 F 4.0517 8.1362 118.2098 57.9478 39.3512 175.7941 16 S 4.3034 8.7511 120.6145 57.9100 63.7502 175.1187 17 S 3.8597 8.9054 119.4650 61.8163 62.3623 176.9058 18 S 4.1343 7.5398 115.3549 60.3749 62.6441 176.1943 19 D 3.5837 7.6839 123.2611 56.7410 40.4977 178.5268 20 L 3.5921 6.9057 118.6894 58.0472 41.5929 179.1837 21 Y 4.3937 7.7628 116.6384 60.8754 37.6797 178.1754 22 N 4.3863 7.8023 117.7545 56.0223 38.3805 177.4386 23 W 4.5480 7.6361 119.5423 59.8251 29.3349 177.8625 24 K 4.1809 8.1427 120.4882 59.0411 31.5230 178.3811 25 N 4.5679 8.1523 118.5130 55.9503 38.8277 175.7681 26 N 4.8319 7.9113 112.8428 53.2049 39.2823 174.5836 27 N 5.1318 8.4591 115.7759 50.3475 42.5860 172.6259 28 P 4.4714 0.0000 0.0000 62.1214 32.3707 176.3960 29 S 4.3108 8.5597 114.5513 58.4744 63.4210 175.0217 30 F 4.1275 9.0999 123.7477 61.7809 38.4688 176.3721 31 S 3.9926 7.6743 114.4328 61.1779 63.2446 175.5348 32 E 3.9282 7.8614 120.7611 59.4517 28.9635 178.0368 33 D 4.2893 8.4307 120.5780 51.6928 43.3559 173.7993 34 P 4.2913 0.0000 0.0000 65.6078 31.4146 178.3872 35 G 3.7101 8.1122 105.0152 48.1478 0.0000 174.6311 36 K 3.9428 8.1798 119.9474 59.4918 32.0725 178.3414 37 L 4.2203 7.9531 119.2428 57.0310 41.8112 179.2025 38 T 4.2769 7.7092 115.6743 65.6335 68.9485 176.7778 39 A 4.2465 8.0161 122.4120 54.3338 18.3049 179.3658 40 L 3.8692 7.6470 118.7585 57.9102 42.3350 178.9638 41 I 3.4918 7.1637 118.3324 64.1171 37.0048 177.7431 42 E 3.8638 8.6094 120.5607 59.5083 29.4088 178.9443 43 S 4.1302 7.5438 111.4115 61.3965 62.4481 176.2880 44 V 3.6579 7.5539 122.2165 65.4328 31.0548 177.8640 45 L 4.2286 8.3058 117.4445 57.2129 41.4199 178.5869 46 T 4.4053 7.1854 113.4384 65.3527 69.3811 176.4989 47 T 4.2336 8.1545 111.3431 63.7721 69.2582 175.6371 48 H 4.6257 8.5247 117.3987 55.0316 30.2870 174.7611 49 Q 3.4246 7.8454 120.1298 56.3323 25.8701 172.6131 50 P 4.4610 0.0000 0.0000 62.2970 32.6542 177.5660 51 T 4.2133 8.5283 112.7374 61.0366 71.0646 174.8620 52 W 3.8975 8.7335 129.2640 60.9202 30.4614 177.1356 53 D 4.2872 8.4078 117.9240 57.6304 40.2955 178.2678 54 D 4.5239 8.4770 119.5439 58.0828 40.7857 179.1040 55 C 4.1937 8.1115 116.8645 62.8209 28.2485 176.1490 56 Q 3.8789 7.4597 119.0276 58.4494 28.1987 178.5304 57 Q 3.9827 8.0104 119.4320 58.7355 28.9566 177.6683 58 L 3.6735 8.0746 119.8951 58.2502 41.5972 179.6899 59 L 3.9540 8.4707 118.5536 57.7368 41.4876 179.6352 60 G 3.7736 7.5206 103.8563 48.5903 0.0000 175.5871 61 T 4.1088 7.7244 116.7882 65.2768 68.4629 176.1109 62 L 4.4966 7.4787 119.0684 54.2293 42.8340 176.4027 63 L 4.7057 7.4547 117.4451 52.8721 44.4864 176.3663 64 T 4.5288 9.1950 112.0055 60.4455 71.6449 176.0010 65 G 3.7035 8.5371 107.5320 48.2903 0.0000 175.6669 66 E 4.0421 8.0826 120.2412 59.1630 29.7235 179.0909 67 E 4.0643 7.9412 118.0980 59.1157 29.4806 179.3625 68 K 3.8444 8.2635 120.0032 59.4124 32.4329 178.6884 69 Q 3.9667 8.0394 119.9475 59.1497 28.8665 178.3447 70 R 3.8853 7.8942 119.2959 59.2602 30.1736 178.6261 71 V 3.5066 7.5642 117.5546 66.2816 31.5442 177.4494 72 L 3.8780 7.9946 118.5269 57.7576 41.4809 179.1591 73 L 3.9144 7.9507 117.8925 58.3377 41.5726 179.8373 74 E 3.8849 8.0764 116.5002 59.1530 29.6498 178.8351 75 A 3.9706 8.1440 121.0486 55.2684 18.2945 179.5687 76 R 3.7573 7.8177 116.6315 59.6274 30.0346 179.2646 77 K 4.0655 7.9140 115.7486 58.1790 31.9684 177.3572 78 A 4.5182 7.5751 121.3986 51.6747 19.2000 177.1799 79 V 3.8368 7.7312 122.9182 64.7254 30.5612 176.9704 80 R 4.3031 8.0895 127.6187 54.5343 28.0307 173.2877 *88 Q 4.3118 8.0002 121.8293 54.8527 31.2205 175.8799 89 L 4.3113 7.7106 116.9549 54.2664 43.7915 175.5006 90 P 4.2676 0.0000 0.0000 66.2301 31.2357 178.6895 91 N 4.4184 8.1272 114.9872 56.0554 37.3109 176.9374 92 E 4.1203 8.0188 119.6600 58.5582 29.4757 179.5246 93 V 3.6616 7.8261 118.7579 66.2775 31.5085 177.8486 94 D 4.5345 7.9882 116.8813 57.3226 40.6610 178.4134 95 A 4.2413 7.9246 119.9835 54.2217 18.4701 178.8154 96 A 4.6037 7.6212 117.7912 53.1441 21.1242 177.5243 97 F 4.7887 8.4587 117.7407 55.6317 39.2137 172.2630 98 P 4.5150 0.0000 0.0000 62.5265 32.3897 177.5858 99 L 4.3993 8.6774 122.2588 57.6639 42.0816 177.7152 100 E 4.1786 7.8473 116.2155 55.2674 30.1778 176.4880 101 R 2.0000 8.0267 122.1431 55.3540 30.1985 174.8634 102 P 3.9765 0.0000 0.0000 61.8539 32.2129 175.1317 103 D 4.5580 7.9321 115.9247 52.8980 39.3902 176.3509 104 W 4.2939 7.5706 120.3909 57.3630 29.4671 174.9950 105 D 4.6440 8.7376 124.0812 52.7234 40.8598 176.4736 106 Y 4.3530 8.5068 125.9799 59.6669 38.1750 177.1432 107 T 4.0758 7.4974 109.8454 62.8888 69.2313 175.0383 108 T 4.4210 7.3933 113.6327 60.5784 72.2745 175.2750 109 T 3.9515 8.0539 114.2331 65.1215 67.6042 176.2356 110 E 3.9549 8.1005 119.0547 58.9449 29.5396 179.2258 111 G 3.9409 7.5067 106.8438 47.5000 0.0000 176.0721 112 R 4.0276 7.6763 120.9745 58.5669 29.8982 178.9650 113 N 4.2183 8.0173 116.4214 56.9341 38.5757 176.5488 114 H 3.7321 7.8614 117.2654 58.6817 28.4547 177.8743 115 L 4.0088 7.4704 120.2344 57.9181 41.3967 180.1005 116 V 3.5794 7.7695 116.8733 65.9427 31.7916 177.2230 117 L 4.0855 8.0951 120.2902 58.5857 41.8098 177.9724 118 Y 4.3155 8.6499 119.4983 61.3771 38.3170 178.7960 119 R 4.1548 8.4392 118.0495 58.6971 30.0568 179.1838 120 Q 4.0517 8.2731 118.5959 58.9635 28.8036 178.1848 121 L 3.9571 8.0143 119.4961 57.8817 41.6292 179.3058 122 L 3.8812 8.3794 120.5314 57.6838 42.0174 178.7955 123 L 3.8889 7.6799 119.0861 57.9356 42.0072 178.4795 124 A 4.0392 8.3523 121.3615 55.3699 18.2797 179.8450 125 G 3.3688 8.0859 104.0626 47.8929 0.0000 175.6370 126 L 4.0151 7.8259 121.8418 57.7207 42.2062 178.9475 127 Q 4.1599 8.5360 118.4182 58.9755 28.7987 177.8929 128 N 4.3203 8.8345 117.6759 56.5103 38.4749 177.2431 129 A 4.2215 8.0599 121.0003 54.5806 18.3741 178.2139 130 G 3.7628 7.5103 107.4148 46.2920 0.0000 176.0570 131 R 3.9908 8.6060 121.8346 59.2558 29.8352 181.3764 132 S 4.3830 8.0913 118.2741 58.3839 62.0886 176.4785 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 P 0.00 4.26 0.00 0.49 0.97 0.00 2.57 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.78 0.00 2 L 7.75 5.10 0.00 1.53 1.49 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.25 4.78 0.00 1.92 2.32 0.00 2.62 0.00 0.00 2.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 4 L 8.57 4.16 0.00 1.70 1.68 0.95 1.04 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 5 G 9.17 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 *7 N 7.98 4.50 0.00 2.86 3.00 0.00 0.00 6.00 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 8 G 8.21 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 9 Q 9.24 4.65 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 10 L 8.73 4.69 0.00 1.78 1.90 1.01 1.08 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 11 Q 9.42 4.74 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 12 Y 8.86 5.20 0.00 2.64 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 W 7.88 5.20 0.00 3.10 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 14 P 0.00 3.92 0.00 2.16 2.10 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 15 F 8.14 4.05 0.00 2.94 2.76 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 16 S 8.75 4.30 0.00 4.01 4.06 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 17 S 8.91 3.86 0.00 4.04 4.17 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 18 S 7.54 4.13 0.00 4.02 4.14 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 19 D 7.68 3.58 0.00 2.34 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.91 3.59 0.00 1.09 1.28 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.76 4.39 0.00 3.01 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 22 N 7.80 4.39 0.00 2.51 2.82 0.00 0.00 6.88 8.82 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 23 W 7.64 4.55 0.00 3.52 3.05 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 24 K 8.14 4.18 0.00 1.89 1.97 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.55 7.81 25 N 8.15 4.57 0.00 2.73 2.91 0.00 0.00 7.14 8.13 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 26 N 7.91 4.83 0.00 2.99 2.92 0.00 0.00 6.74 9.04 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 27 N 8.46 5.13 0.00 2.75 2.69 0.00 0.00 6.95 7.88 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 28 P 0.00 4.47 0.00 2.18 2.06 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 29 S 8.56 4.31 0.00 4.09 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 30 F 9.10 4.13 0.00 2.90 3.39 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 31 S 7.67 3.99 0.00 3.96 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 32 E 7.86 3.93 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 33 D 8.43 4.29 0.00 2.64 2.46 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 0.00 34 P 0.00 4.29 0.00 1.78 1.10 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 35 G 8.11 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.18 3.94 0.00 1.93 1.79 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.48 7.81 37 L 7.95 4.22 0.00 2.11 1.87 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.71 4.28 4.30 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 0.00 0.00 0.00 1.24 0.00 0.00 39 A 8.02 4.25 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 40 L 7.65 3.87 0.00 1.61 1.47 0.74 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.16 3.49 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.85 0.00 0.00 42 E 8.61 3.86 0.00 2.11 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 2.31 2.33 0.00 43 S 7.54 4.13 0.00 4.07 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 44 V 7.55 3.66 1.80 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 1.18 0.00 0.00 -0.10 0.00 0.00 45 L 8.31 4.23 0.00 1.81 1.77 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.19 4.41 4.38 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 1.23 0.00 0.00 47 T 8.15 4.23 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 1.33 0.00 0.00 48 H 8.52 4.63 0.00 3.36 3.16 0.00 5.88 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 49 Q 7.85 3.42 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.10 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 50 P 0.00 4.46 0.00 2.22 2.04 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 51 T 8.53 4.21 4.30 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 0.00 0.00 0.00 1.21 0.00 0.00 52 W 8.73 3.90 0.00 3.02 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 53 D 8.41 4.29 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 54 D 8.48 4.52 0.00 2.80 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 55 C 8.11 4.19 0.00 2.92 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 56 Q 7.46 3.88 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 1.29 1.17 0.00 57 Q 8.01 3.98 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 58 L 8.07 3.67 0.00 1.90 1.64 0.88 0.49 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 59 L 8.47 3.95 0.00 1.60 1.61 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.52 3.77 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 0.00 0.00 0.00 61 T 7.72 4.11 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 1.05 0.00 0.00 62 L 7.48 4.50 0.00 1.55 1.69 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.45 4.71 0.00 1.55 1.41 0.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.19 4.53 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 1.25 0.00 0.00 65 G 8.54 3.70 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 0.00 66 E 8.08 4.04 0.00 2.05 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 2.41 2.41 0.00 67 E 7.94 4.06 0.00 2.24 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 68 K 8.26 3.84 0.00 1.84 1.76 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.37 7.81 69 Q 8.04 3.97 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 70 R 7.89 3.89 0.00 2.12 1.94 0.00 3.25 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 V 7.56 3.51 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 0.70 0.00 0.00 0.74 0.00 0.00 72 L 7.99 3.88 0.00 1.92 1.78 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.95 3.91 0.00 1.81 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.08 3.88 0.00 2.12 1.95 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 2.44 2.55 0.00 75 A 8.14 3.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.82 3.76 0.00 1.99 2.00 0.00 3.39 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 77 K 7.91 4.07 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 78 A 7.58 4.52 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 79 V 7.73 3.84 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 0.85 0.00 0.00 1.02 0.00 0.00 80 R 8.09 4.30 0.00 1.86 1.72 0.00 3.35 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 *88 Q 8.00 4.31 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 89 L 7.71 4.31 0.00 1.75 1.59 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.27 0.00 2.17 2.15 0.00 3.61 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 2.14 2.19 0.00 91 N 8.13 4.42 0.00 3.01 3.09 0.00 0.00 6.24 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 92 E 8.02 4.12 0.00 2.23 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 2.36 2.34 0.00 93 V 7.83 3.66 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 1.16 0.00 0.00 0.97 0.00 0.00 94 D 7.99 4.53 0.00 2.89 2.76 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 95 A 7.92 4.24 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 96 A 7.62 4.60 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 97 F 8.46 4.79 0.00 3.01 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 98 P 0.00 4.52 0.00 2.17 2.06 0.00 4.10 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 99 L 8.68 4.40 0.00 1.75 1.88 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.85 4.18 0.00 1.77 1.77 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 2.27 2.18 0.00 101 R 8.03 2.00 0.00 1.35 1.44 0.00 3.20 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.00 102 P 0.00 3.98 0.00 0.49 0.80 0.00 2.20 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 0.49 0.44 0.00 103 D 7.93 4.56 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.57 4.29 0.00 3.36 3.05 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 0.00 105 D 8.74 4.64 0.00 2.71 2.53 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 0.00 106 Y 8.51 4.35 0.00 3.11 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 0.00 107 T 7.50 4.08 4.14 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 0.82 0.00 0.00 108 T 7.39 4.42 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 1.21 0.00 0.00 109 T 8.05 3.95 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 1.17 0.00 0.00 110 E 8.10 3.95 0.00 2.04 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 2.31 2.31 0.00 111 G 7.51 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 0.00 112 R 7.68 4.03 0.00 1.98 2.01 0.00 3.19 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 113 N 8.02 4.22 0.00 2.76 2.66 0.00 0.00 6.94 7.68 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 0.00 114 H 7.86 3.73 0.00 1.90 1.31 0.00 5.65 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 0.00 115 L 7.47 4.01 0.00 1.89 1.80 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.77 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 117 L 8.10 4.09 0.00 1.79 1.81 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.65 4.32 0.00 3.44 3.39 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 0.00 119 R 8.44 4.15 0.00 2.32 2.07 0.00 3.26 0.00 0.00 3.38 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 120 Q 8.27 4.05 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 121 L 8.01 3.96 0.00 2.10 1.61 1.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.38 3.88 0.00 1.80 1.71 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.68 3.89 0.00 1.85 1.82 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.35 4.04 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 0.00 125 G 8.09 3.37 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 0.00 126 L 7.83 4.02 0.00 1.88 1.85 0.68 0.64 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 0.00 127 Q 8.54 4.16 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 128 N 8.83 4.32 0.00 2.76 2.93 0.00 0.00 6.96 7.73 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 0.00 129 A 8.06 4.22 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 0.00 130 G 7.51 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 0.00 131 R 8.61 3.99 0.00 1.80 1.84 0.00 3.31 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 132 S 8.09 4.38 0.00 3.62 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.