NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 M 4.4594 8.2893 120.3479 55.2852 33.4247 174.5244 17 E 4.5084 8.6072 122.6757 53.9578 32.2770 173.2420 18 L 4.8562 9.1733 122.1980 52.9312 46.2646 176.5536 19 R 4.6677 8.1009 117.0569 54.5352 33.8866 176.4907 20 A 4.2822 8.2646 123.6486 51.2528 16.9229 177.4112 21 A 4.4316 7.7582 121.2779 51.6054 19.9963 177.7575 22 T 4.6424 7.6077 105.8888 59.4474 71.2202 173.8720 23 K 4.3595 8.3824 123.4349 55.3262 33.5419 176.5972 24 L 4.4793 8.0557 123.1591 53.7473 43.4732 175.5912 25 T 4.4316 8.4102 119.0563 61.5017 71.2504 174.5098 *26 E 4.6739 8.5123 121.3235 54.7783 31.1521 176.4044 27 E 4.0827 9.0166 127.0217 55.5102 29.8778 176.1785 28 K 4.4240 8.6854 126.0031 56.9820 33.0072 175.0749 29 Y 4.8518 9.1674 129.6683 55.8722 41.4574 173.8744 30 E 5.1466 8.3727 125.8148 54.9146 31.7918 175.2511 31 L 4.6720 8.7179 122.1330 53.3005 47.0477 175.1970 32 K 4.9010 9.4421 120.6846 54.7011 34.2011 176.2180 33 E 4.2030 8.3728 124.3495 58.3361 29.6732 177.0720 34 G 4.0860 9.4270 114.2534 45.2406 0.0000 173.5064 35 Q 4.3207 7.9181 118.6067 55.7822 30.9770 174.9053 36 T 4.9731 8.1598 115.5705 61.7493 71.8585 173.4910 37 L 4.4088 8.7750 129.8433 54.7903 43.3251 174.8511 38 D 5.2008 8.7264 126.2454 52.5225 43.1287 175.0222 39 V 4.3378 8.8461 126.1367 60.8286 35.0284 174.1648 40 K 4.7609 8.5088 125.8349 54.8769 34.3928 176.1951 41 C 4.2570 9.3375 124.4745 55.1474 41.8629 172.9005 42 D 5.0342 8.5940 125.5816 53.7846 39.3196 175.0161 43 Y 4.4448 8.3970 123.0416 57.6750 39.4045 178.3118 44 T 3.2632 8.2255 114.9104 63.7915 68.3064 172.5072 45 L 4.1715 7.8429 120.3063 54.4658 42.2908 177.5817 46 E 4.0469 9.0573 124.4414 59.0782 29.7202 178.6091 47 K 3.7638 8.0024 118.6157 58.5909 32.2735 176.8032 48 F 4.8978 8.5290 115.1293 56.2029 39.9988 177.1681 49 A 3.8899 7.9201 124.7730 55.3272 18.2274 178.7617 50 S 4.8616 7.7215 107.4250 58.0569 64.1589 174.4411 51 S 4.5153 7.7160 117.8284 58.6419 63.9462 173.6884 52 Q 4.2078 8.5571 123.8939 56.3168 30.2207 174.8152 53 K 5.5507 8.8801 122.8122 55.3042 37.3716 174.6989 54 A 5.2059 9.0773 121.7954 51.2372 23.6660 174.8619 55 W 5.3489 9.7440 129.7114 55.9751 32.9814 174.7142 56 Q 4.9291 8.4530 125.2876 54.0162 32.9082 173.9101 57 I 4.0607 8.0758 121.6963 59.2139 40.2011 174.3770 58 I 4.4525 8.5400 130.6328 60.2462 38.1895 175.3907 59 R 4.7008 8.2567 124.6601 53.6610 33.6120 175.2316 60 D 4.2743 8.4297 119.9167 55.2996 39.6080 176.6940 61 G 3.8070 8.6122 109.7752 45.2537 0.0000 172.8697 62 E 3.6140 7.9095 115.5111 57.3901 26.9186 174.3938 63 M 4.4967 7.4386 119.6423 53.1372 32.8674 174.1221 64 P 4.8363 0.0000 0.0000 62.2601 33.2011 175.8869 65 K 4.4204 8.9272 123.2580 54.6930 34.3104 175.3271 66 T 4.2734 8.5823 125.2941 64.1699 68.1735 174.3268 67 L 4.5863 9.1815 127.2496 56.4434 43.3228 177.2986 68 A 4.7990 7.7566 118.0051 51.0435 22.3674 175.1835 69 C 5.4348 8.6356 116.0469 56.6668 33.2731 174.1540 70 T 4.3534 8.5532 111.5368 60.9878 70.4399 173.7319 71 E 4.2116 8.4948 121.2611 55.9059 30.4646 176.1709 72 R 4.5140 8.0001 119.4918 53.8381 32.1743 172.9411 73 P 4.6232 0.0000 0.0000 62.7409 32.7729 175.2699 74 S 4.6682 8.9847 115.3919 56.9321 63.4986 173.1678 75 K 4.4250 8.4319 126.7732 54.5871 33.3564 176.1832 76 N 4.1049 8.2971 121.1928 54.7716 39.7433 174.4624 77 S 3.5223 7.7776 116.9123 60.3387 62.7353 173.5306 78 H 4.8285 7.4457 114.7638 53.3577 28.7907 171.7439 79 P 4.3070 0.0000 0.0000 63.0144 32.4802 176.1912 80 V 4.4111 9.1980 123.8875 61.0236 34.1822 173.8903 81 Q 5.1618 8.7364 128.4603 54.2229 31.9757 174.8687 82 V 4.3112 8.5094 125.3452 60.6760 34.4441 175.1247 83 G 3.6884 8.3757 115.6829 47.2578 0.0000 173.7851 84 R 4.3798 8.5862 124.0765 55.9394 30.3758 174.7703 85 I 4.8244 7.8836 120.8273 59.7753 39.3307 174.6522 86 I 4.9089 8.9351 127.8659 59.3845 40.1248 174.1742 87 L 5.0892 9.1476 129.5534 53.3005 45.1349 175.0899 88 E 4.6424 9.0161 124.6007 54.9310 34.3574 173.5614 89 D 4.9143 8.5975 124.7083 53.4687 42.8792 174.8171 90 Y 4.8871 8.9642 126.3885 56.4601 37.0595 176.0564 91 H 4.3666 9.7934 121.2968 58.0548 29.2704 177.6527 92 D 4.5007 8.4903 116.1151 55.7436 38.9676 176.4531 93 H 4.7338 8.3942 115.1417 54.4604 30.4755 173.9449 94 G 3.6383 8.2872 107.9613 46.2655 0.0000 172.9999 95 L 5.0317 7.4845 117.2799 52.2506 46.2723 175.3198 96 L 5.1255 9.0083 124.8460 53.5181 44.3276 174.9230 97 R 5.0025 9.2891 127.5752 54.9202 32.4738 175.0401 98 V 4.6262 8.8634 124.8141 61.1103 35.2337 174.3296 99 R 4.9618 8.7542 125.2058 54.6648 34.7509 174.1620 100 M 5.0569 8.6388 122.3201 53.4472 34.6129 175.3680 101 V 4.0938 8.6083 124.2166 62.1611 32.7347 175.6551 102 N 4.2233 8.5474 119.0012 53.2666 36.9685 173.3741 103 L 4.3468 8.7360 121.7083 54.9005 43.0790 176.8016 104 Q 4.8982 8.8973 119.2592 53.7271 32.9002 176.8784 105 V 3.8127 8.3627 118.8791 66.2206 31.6937 178.1632 106 E 4.1329 8.1313 117.8837 59.0659 29.4180 177.6216 107 D 4.6997 7.8748 117.5349 56.0503 41.0607 176.8983 108 S 4.5170 8.0928 116.3813 58.0071 63.6518 174.5078 109 G 3.8352 8.0238 109.1164 46.6072 0.0000 170.0638 110 L 5.0348 7.4695 121.8062 53.8720 43.4894 175.3669 111 Y 5.0031 9.0233 124.0086 56.4185 42.0708 174.5773 112 Q 4.8590 7.7105 116.7248 55.5682 32.1418 172.9836 113 C 5.5486 9.0172 119.1150 56.7583 42.6395 173.3504 114 V 4.7709 8.8874 120.3021 60.2292 34.8262 174.0021 115 I 4.9388 8.1763 123.7653 59.5203 39.1269 174.7592 116 Y 4.0345 9.2912 125.9087 58.4562 37.8654 175.7276 117 Q 4.7784 8.3227 123.2830 52.8231 31.7216 174.1080 118 P 4.5331 0.0000 0.0000 61.7898 32.2584 175.4196 119 P 4.3159 0.0000 0.0000 66.1592 30.9580 177.8371 120 K 4.1514 7.9721 116.3215 57.9552 32.4475 177.0009 121 E 4.4045 7.5230 117.3003 54.4502 30.3452 174.6991 122 P 4.3427 0.0000 0.0000 63.0370 31.9491 175.8405 123 H 4.6953 8.6772 120.4063 55.4779 29.5193 174.5148 124 M 4.3248 9.5515 125.4026 54.3193 33.0711 175.2229 125 L 4.6325 7.9721 124.6150 52.7645 44.9033 176.3708 126 F 4.6704 8.4128 121.2061 56.6461 39.9867 175.4773 127 D 4.5446 8.7050 123.0677 54.8461 41.3719 176.4388 128 R 4.6995 8.1614 121.3975 55.2832 32.9769 175.0972 129 I 4.8056 8.7711 120.2592 59.5617 41.2671 174.2236 130 R 4.9360 8.9590 131.1244 54.8181 30.3334 174.2656 131 L 4.6677 9.1791 129.1762 54.8586 43.6900 175.6663 132 V 4.4202 9.1333 125.8918 61.3373 34.2725 173.8927 133 V 4.8753 8.7313 129.3139 61.5475 32.7142 175.0790 134 T 4.7682 8.4650 117.4886 59.3691 72.2043 173.4836 135 L 4.4561 8.3471 121.6902 54.2798 42.6348 177.4049 136 E 4.1078 8.6828 120.1340 56.9271 29.3934 177.0814 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 16 M 8.29 4.46 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 17 E 8.61 4.51 0.00 2.13 1.85 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 2.15 2.39 0.00 18 L 9.17 4.86 0.00 1.60 1.59 0.91 0.85 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 19 R 8.10 4.67 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 20 A 8.26 4.28 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 21 A 7.76 4.43 1.27 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 0.00 0.00 0.00 22 T 7.61 4.64 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 23 K 8.38 4.36 0.00 1.77 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.41 7.81 24 L 8.06 4.48 0.00 1.53 1.52 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.41 4.43 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 1.23 0.00 0.00 *26 E 8.51 4.67 0.00 1.75 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 0.00 2.14 1.88 0.00 27 E 9.02 4.08 0.00 2.18 2.02 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 2.37 2.43 0.00 28 K 8.69 4.42 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 29 Y 9.17 4.85 0.00 3.18 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 30 E 8.37 5.15 0.00 1.72 1.74 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 2.20 2.27 0.00 31 L 8.72 4.67 0.00 1.52 1.47 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 32 K 9.44 4.90 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.49 7.81 33 E 8.37 4.20 0.00 1.95 1.98 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 2.48 2.29 0.00 34 G 9.43 4.09 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 0.00 35 Q 7.92 4.32 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 36 T 8.16 4.97 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 37 L 8.78 4.41 0.00 1.71 1.46 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.73 5.20 0.00 2.62 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 39 V 8.85 4.34 1.65 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 0.79 0.00 0.00 0.70 0.00 0.00 40 K 8.51 4.76 0.00 1.55 1.61 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.28 7.81 41 C 9.34 4.26 0.00 2.65 1.79 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 42 D 8.59 5.03 0.00 2.69 2.71 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 43 Y 8.40 4.44 0.00 3.21 3.53 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 44 T 8.23 3.26 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 1.42 0.00 0.00 45 L 7.84 4.17 0.00 1.86 1.52 0.94 0.86 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 46 E 9.06 4.05 0.00 1.99 1.97 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 2.40 2.28 0.00 47 K 8.00 3.76 0.00 1.52 1.48 0.00 1.50 0.00 0.00 1.02 0.00 0.00 2.61 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.09 7.81 48 F 8.53 4.90 0.00 3.21 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.89 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 50 S 7.72 4.86 0.00 3.90 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 51 S 7.72 4.52 0.00 3.90 4.04 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 52 Q 8.56 4.21 0.00 1.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.63 2.32 0.00 53 K 8.88 5.55 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.34 1.52 7.81 54 A 9.08 5.21 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 55 W 9.74 5.35 0.00 3.35 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 56 Q 8.45 4.93 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 57 I 8.08 4.06 1.30 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.51 0.78 0.00 0.00 58 I 8.54 4.45 1.73 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 1.03 0.86 0.82 0.00 0.00 59 R 8.26 4.70 0.00 1.79 1.76 0.00 3.23 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 60 D 8.43 4.27 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 61 G 8.61 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 0.00 0.00 0.00 62 E 7.91 3.61 0.00 2.10 2.02 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 2.18 2.23 0.00 63 M 7.44 4.50 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.43 0.00 64 P 0.00 4.84 0.00 2.03 1.97 0.00 3.65 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 1.91 1.87 0.00 65 K 8.93 4.42 0.00 1.71 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.35 7.81 66 T 8.58 4.27 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 67 L 9.18 4.59 0.00 1.86 1.93 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.76 4.80 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 69 C 8.64 5.43 0.00 3.01 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 70 T 8.55 4.35 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 1.26 0.00 0.00 71 E 8.49 4.21 0.00 2.19 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 2.29 2.24 0.00 72 R 8.00 4.51 0.00 1.75 1.70 0.00 3.19 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 73 P 0.00 4.62 0.00 2.10 2.05 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 74 S 8.98 4.67 0.00 3.89 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 75 K 8.43 4.42 0.00 1.41 1.36 0.00 1.71 0.00 0.00 1.51 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.34 7.81 76 N 8.30 4.10 0.00 2.25 2.57 0.00 0.00 7.30 7.63 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 77 S 7.78 3.52 0.00 4.12 3.92 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 78 H 7.45 4.83 0.00 3.20 3.23 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.31 0.00 1.88 1.99 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 80 V 9.20 4.41 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 0.79 0.00 0.00 0.96 0.00 0.00 81 Q 8.74 5.16 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 82 V 8.51 4.31 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 0.88 0.00 0.00 0.97 0.00 0.00 83 G 8.38 3.69 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 0.00 0.00 0.00 84 R 8.59 4.38 0.00 1.91 2.08 0.00 3.45 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 85 I 7.88 4.82 2.05 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 1.31 0.92 0.90 0.00 0.00 86 I 8.94 4.91 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.87 0.00 0.00 87 L 9.15 5.09 0.00 1.61 1.46 1.02 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 88 E 9.02 4.64 0.00 1.74 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 2.04 2.15 0.00 89 D 8.60 4.91 0.00 2.74 2.57 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 0.00 0.00 0.00 0.00 90 Y 8.96 4.89 0.00 3.15 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 91 H 9.79 4.37 0.00 3.43 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.49 4.50 0.00 2.68 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 93 H 8.39 4.73 0.00 3.18 3.27 0.00 5.99 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 94 G 8.29 3.64 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 0.00 0.00 0.00 95 L 7.48 5.03 0.00 1.60 1.50 0.80 0.34 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 96 L 9.01 5.13 0.00 1.94 1.60 0.94 0.86 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 97 R 9.29 5.00 0.00 2.09 2.01 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 98 V 8.86 4.63 1.19 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 -0.58 0.00 0.00 0.64 0.00 0.00 99 R 8.75 4.96 0.00 1.62 1.64 0.00 3.06 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 100 M 8.64 5.06 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 101 V 8.61 4.09 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 1.04 0.00 0.00 0.90 0.00 0.00 102 N 8.55 4.22 0.00 2.91 2.74 0.00 0.00 7.69 6.66 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 0.00 103 L 8.74 4.35 0.00 1.71 1.60 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.90 4.90 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 105 V 8.36 3.81 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 1.02 0.00 0.00 0.95 0.00 0.00 106 E 8.13 4.13 0.00 2.02 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 2.34 2.42 0.00 107 D 7.87 4.70 0.00 2.93 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 0.00 108 S 8.09 4.52 0.00 3.87 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 0.00 109 G 8.02 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 0.00 110 L 7.47 5.03 0.00 1.62 1.39 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.02 5.00 0.00 2.62 1.51 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 0.00 112 Q 7.71 4.86 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 113 C 9.02 5.55 0.00 2.80 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 0.00 114 V 8.89 4.77 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 0.82 0.00 0.00 0.78 0.00 0.00 115 I 8.18 4.94 1.50 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.67 0.00 0.00 116 Y 9.29 4.03 0.00 2.86 2.98 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 0.00 117 Q 8.32 4.78 0.00 1.52 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 118 P 0.00 4.53 0.00 2.25 2.21 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 119 P 0.00 4.32 0.00 2.21 2.27 0.00 3.80 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 2.02 2.03 0.00 120 K 7.97 4.15 0.00 1.79 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 121 E 7.52 4.40 0.00 2.07 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 2.35 2.45 0.00 122 P 0.00 4.34 0.00 2.07 2.01 0.00 3.71 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 2.05 2.12 0.00 123 H 8.68 4.70 0.00 3.07 3.17 0.00 5.71 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 0.00 124 M 9.55 4.32 0.00 1.56 1.92 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.24 0.00 125 L 7.97 4.63 0.00 1.57 1.48 0.89 0.81 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 0.00 126 F 8.41 4.67 0.00 3.26 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 0.00 127 D 8.71 4.54 0.00 2.76 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 0.00 128 R 8.16 4.70 0.00 1.91 1.95 0.00 3.05 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 129 I 8.77 4.81 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.45 1.24 0.00 0.00 130 R 8.96 4.94 0.00 1.98 1.90 0.00 3.17 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 131 L 9.18 4.67 0.00 2.04 1.79 0.98 0.84 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 0.00 132 V 9.13 4.42 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 0.98 0.00 0.00 0.98 0.00 0.00 133 V 8.73 4.88 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 0.92 0.00 0.00 0.98 0.00 0.00 134 T 8.47 4.77 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 1.21 0.00 0.00 135 L 8.35 4.46 0.00 1.56 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.68 4.11 0.00 1.95 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 2.46 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.