NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4417 8.1933 115.2896 58.6073 64.6131 175.8951 7 T 3.7970 7.7513 116.8747 65.8941 68.2621 175.3892 8 K 4.0072 8.1564 120.3856 59.1998 32.6877 178.8392 9 K 3.9727 7.9799 119.5135 59.6811 32.1851 178.8829 10 T 3.8479 7.7145 115.9248 66.6402 68.4341 176.2363 11 Q 3.9379 8.1165 121.4413 59.2805 29.0297 178.2830 12 L 3.9986 8.0413 121.1139 58.2686 42.0967 178.9737 13 Q 4.0396 8.0508 117.6770 59.0880 28.6725 178.8319 14 L 4.0862 8.0161 119.9611 57.7732 41.6133 179.4872 15 E 4.0553 8.3367 118.7391 59.6456 29.4019 179.0463 16 H 4.1834 8.3383 116.4184 58.5746 28.7471 177.6545 17 L 3.9686 8.1761 122.3038 57.9197 41.9337 178.5370 18 L 3.9964 8.3484 120.7456 58.5288 42.0239 179.1625 19 L 4.0479 8.0500 118.5739 57.6533 41.3985 179.2782 20 D 4.3838 8.2242 119.1059 57.3859 40.7672 178.8199 21 L 4.0553 8.0801 119.4668 57.9249 41.6421 179.5760 22 Q 4.0484 8.3448 118.1361 59.0015 28.6047 178.3994 23 M 4.0833 8.0801 119.3213 58.7300 32.1683 178.4443 24 I 3.7400 7.6339 119.4836 64.2725 37.2876 178.0377 25 L 3.9568 7.8790 121.1322 58.4845 41.7046 178.8267 26 N 4.5127 8.5476 115.4831 56.2485 38.2698 177.3777 27 G 3.9034 8.3901 107.2659 47.8577 0.0000 175.9666 28 I 3.8015 8.1550 122.5505 64.1685 36.9849 178.1564 29 N 4.4282 8.4657 116.2331 55.3892 38.3813 175.9704 30 N 4.8182 7.4108 114.9428 52.2638 39.3979 174.9785 31 C 4.3953 7.4270 118.9389 59.2008 29.1064 174.4095 32 K 4.2182 8.3637 121.7027 56.1748 33.6137 178.0787 33 N 4.3228 8.7684 120.3560 56.2399 38.4323 175.9936 34 P 4.2193 0.0000 0.0000 65.3327 31.4836 178.5341 35 K 3.9293 7.9878 117.9953 59.3974 32.1782 178.3729 36 L 3.9431 8.3627 120.9775 58.4844 41.7988 178.7812 37 T 3.8516 7.9164 114.7680 67.0443 68.8027 176.3538 38 R 3.9409 7.7568 119.7512 59.4541 30.1733 179.0708 39 M 4.3884 8.0544 118.4189 57.9857 31.7369 178.0279 40 L 4.4491 7.6912 117.3651 55.9889 42.1250 177.9525 41 T 3.9679 7.1903 108.5073 63.4667 69.2218 175.2455 42 F 4.4969 7.1486 120.4588 57.2345 39.4878 174.7308 43 K 4.5944 8.4882 124.5517 55.5663 33.1652 176.1074 44 F 4.8040 9.3647 123.0883 55.8205 42.6001 173.6354 45 Y 4.7793 9.4124 120.5601 56.9749 39.3424 175.0486 46 M 5.1428 8.7940 123.1731 52.7828 35.0564 173.6644 47 P 4.6910 0.0000 0.0000 62.8029 31.7895 176.3132 48 K 4.1807 9.0278 124.9211 58.9957 32.7341 177.2969 49 K 4.4157 7.7909 118.4443 54.5488 35.0589 175.4214 50 A 4.5314 8.3501 128.1601 50.9728 19.7718 175.2191 51 T 4.7723 8.8067 108.7096 61.5015 70.8374 174.0619 52 E 4.8736 8.2960 120.8650 53.6571 33.5508 176.4237 53 L 4.2925 8.5941 120.8425 58.0180 41.7317 180.0316 54 K 4.0420 7.9040 118.0621 59.8945 32.5651 178.3829 55 H 4.6599 8.0770 116.7783 57.6404 28.5403 176.9932 56 L 3.7662 7.8632 121.3010 56.6235 41.3265 178.5901 57 Q 3.9670 8.0358 119.9858 59.6477 28.6765 177.8519 58 C 4.4251 8.2731 116.4764 59.6542 35.1770 175.6157 59 L 3.6513 7.1796 121.6348 57.7218 41.5531 178.0266 60 E 3.8734 8.1572 119.5542 59.6923 29.2756 178.8533 61 E 4.1133 8.1115 116.9692 58.7116 29.8138 178.1045 62 E 4.4870 8.0344 116.6267 56.5885 29.8152 178.0224 63 L 4.1558 7.8045 121.0037 57.4262 41.6202 179.4830 64 K 3.9430 7.9490 118.1678 59.0552 32.1721 177.3686 65 P 4.0703 0.0000 0.0000 65.2884 31.2027 178.2974 66 L 4.2408 8.0074 119.1693 58.3196 41.6152 178.6697 67 E 3.9141 8.4025 119.3127 59.1364 29.4685 178.3111 68 E 3.8593 8.2403 119.3251 59.3678 29.6189 178.9256 69 V 3.2624 7.6846 118.1326 65.8843 31.3036 177.9411 70 L 3.9463 7.6497 117.6163 57.8330 41.5433 178.7847 71 N 4.4415 8.1347 115.5142 56.5257 38.6012 177.2699 72 L 4.0679 8.0341 118.8428 56.1787 41.9282 177.4675 73 A 4.5899 6.9354 120.9047 51.2571 20.1709 176.0658 74 Q 4.3916 7.9161 115.8828 55.0916 31.1526 173.6379 *78 F 4.5264 8.2824 120.6750 58.2856 40.1679 174.8843 79 H 4.3957 8.0909 121.2551 56.9178 28.9673 175.1609 80 L 4.6660 7.5512 122.1961 53.3589 44.2302 176.3425 81 R 4.4956 8.3477 121.0902 54.5199 30.8047 173.5758 82 P 4.3497 0.0000 0.0000 64.9859 31.2326 178.8933 83 R 4.1902 7.9631 115.3661 58.6480 29.1061 178.6351 84 D 4.2972 8.1087 119.6967 57.2583 41.0004 178.4659 85 L 4.0362 7.8356 120.3329 58.0731 42.1930 178.8211 86 I 3.7747 7.9606 119.9704 64.3217 36.9299 178.4896 87 S 4.1179 7.9035 115.9297 61.5632 62.7981 176.2057 88 N 4.2702 8.1289 119.6272 56.8207 38.6405 176.9693 89 I 3.7080 7.8000 121.1251 64.2556 37.1547 177.7683 90 N 4.2222 8.6789 118.2304 56.7369 38.7606 176.8848 91 V 3.5672 7.9541 119.5600 66.1341 31.5784 178.0251 92 I 3.6808 7.5836 118.9638 64.4226 36.9109 178.5977 93 V 3.5623 8.1054 119.4244 66.0632 31.4918 178.0816 94 L 3.9830 8.1199 118.7720 57.7922 41.2145 179.2350 95 E 4.1857 8.0795 117.5903 58.6412 29.5219 179.0470 96 L 4.1864 7.9182 118.9725 57.6547 42.0058 179.2833 97 K 4.2424 8.2235 117.4291 57.7655 32.5495 178.4443 98 G 4.0213 7.4114 112.5947 46.3646 0.0000 173.7954 *103 F 4.4918 7.7648 119.9479 57.7476 40.1741 173.4659 104 M 4.2090 7.7051 127.2008 53.0963 33.3679 176.4207 105 C 3.9254 8.3384 124.0472 56.6512 42.7874 172.1091 106 E 4.5537 8.4708 126.2084 55.2616 30.7982 174.4536 107 Y 5.2430 8.5135 122.1487 56.3245 39.7989 175.6901 108 A 4.2787 9.1197 125.3243 52.0907 18.9144 177.8423 109 D 4.4846 8.8314 119.9402 57.3895 41.2406 177.5872 110 E 4.1360 7.9854 117.8250 56.1935 30.0839 176.7816 111 T 4.3798 8.0992 113.6240 60.9685 71.0244 172.9998 112 A 4.9300 8.8261 122.2927 50.2768 23.2963 175.9194 113 T 4.6242 8.4549 109.4795 61.1761 70.3706 175.3447 114 I 2.8142 8.6788 121.2584 64.0596 37.6084 177.9864 115 V 3.5684 7.6481 118.4459 66.1051 31.6054 177.6096 116 E 3.9493 8.0091 119.1982 58.8709 29.2783 178.4595 117 F 4.2035 8.4126 121.0580 61.3248 39.4565 177.1803 118 L 3.9208 8.1400 118.5466 57.8116 41.4550 179.0495 119 N 4.2911 8.4607 116.8336 56.4130 38.4827 177.3899 120 R 3.7282 7.9032 119.8470 59.2535 30.1875 178.6156 121 W 4.3405 7.6574 118.5516 59.2228 29.0279 178.8367 122 I 3.8164 8.0236 120.2904 64.6935 36.4817 178.4903 123 T 3.8645 7.9875 116.5580 66.4375 68.2493 176.2659 124 F 4.0734 8.2998 122.5552 61.6215 39.3117 176.8058 125 C 4.0231 8.4027 115.9861 63.2113 27.9348 176.2823 126 Q 3.9629 8.2056 119.3411 59.0576 28.0128 179.1716 127 S 4.0675 7.9990 115.5771 61.5945 63.1206 176.5465 128 I 3.7396 7.4299 122.4493 64.2489 36.8800 178.2769 129 I 3.6643 7.8336 120.8479 64.7714 36.7153 178.5876 130 S 4.2364 7.7286 114.5735 60.8928 62.7059 175.7255 131 T 4.2949 7.4884 110.4519 62.0187 69.1059 174.9579 132 L 4.5848 7.5053 120.3115 54.9673 43.6171 176.5791 133 T 4.0242 7.9510 119.7610 63.9329 68.3203 173.7559 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 6 S 8.19 4.44 0.00 3.87 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 7 T 7.75 3.80 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 1.20 0.00 0.00 8 K 8.16 4.01 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 9 K 7.98 3.97 0.00 1.82 1.95 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 10 T 7.71 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 1.21 0.00 0.00 11 Q 8.12 3.94 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 12 L 8.04 4.00 0.00 2.00 1.78 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.05 4.04 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 14 L 8.02 4.09 0.00 1.88 1.73 0.89 1.05 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 15 E 8.34 4.06 0.00 2.18 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 2.32 2.48 0.00 16 H 8.34 4.18 0.00 3.36 3.36 0.00 5.62 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 17 L 8.18 3.97 0.00 1.88 1.91 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.35 4.00 0.00 1.87 1.93 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.05 4.05 0.00 1.75 1.71 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.22 4.38 0.00 2.90 2.74 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 21 L 8.08 4.06 0.00 1.92 1.75 1.00 0.64 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 22 Q 8.34 4.05 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 23 M 8.08 4.08 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 24 I 7.63 3.74 2.04 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 1.45 0.79 0.93 0.00 0.00 25 L 7.88 3.96 0.00 1.80 1.85 0.94 0.78 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 26 N 8.55 4.51 0.00 2.79 2.92 0.00 0.00 7.07 7.58 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 27 G 8.39 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 0.00 0.00 0.00 28 I 8.16 3.80 2.07 0.00 0.00 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 1.51 0.57 0.92 0.00 0.00 29 N 8.47 4.43 0.00 2.88 2.91 0.00 0.00 7.02 7.54 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 30 N 7.41 4.82 0.00 2.96 2.92 0.00 0.00 7.00 7.54 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 31 C 7.43 4.40 0.00 3.05 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 32 K 8.36 4.22 0.00 1.81 1.74 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 33 N 8.77 4.32 0.00 2.73 2.88 0.00 0.00 7.04 8.03 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 34 P 0.00 4.22 0.00 2.15 2.09 0.00 3.55 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 2.11 2.14 0.00 35 K 7.99 3.93 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.58 7.81 36 L 8.36 3.94 0.00 1.89 1.83 0.99 0.85 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 37 T 7.92 3.85 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 1.18 0.00 0.00 38 R 7.76 3.94 0.00 1.96 1.89 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 39 M 8.05 4.39 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.74 0.00 40 L 7.69 4.45 0.00 1.77 1.71 0.93 0.98 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 41 T 7.19 3.97 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 1.14 0.00 0.00 42 F 7.15 4.50 0.00 3.26 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 43 K 8.49 4.59 0.00 1.55 1.43 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.42 7.81 44 F 9.36 4.80 0.00 2.94 2.58 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 45 Y 9.41 4.78 0.00 2.60 2.56 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 46 M 8.79 5.14 0.00 1.97 2.05 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 2.67 2.60 0.00 47 P 0.00 4.69 0.00 2.11 2.09 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.14 0.00 48 K 9.03 4.18 0.00 1.95 1.89 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.42 7.81 49 K 7.79 4.42 0.00 1.66 1.52 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.40 7.81 50 A 8.35 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.81 4.77 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 1.25 0.00 0.00 52 E 8.30 4.87 0.00 1.74 1.70 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 2.24 2.29 0.00 53 L 8.59 4.29 0.00 1.71 1.78 0.94 0.66 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 54 K 7.90 4.04 0.00 1.72 1.89 0.00 1.14 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.02 0.52 7.81 55 H 8.08 4.66 0.00 3.52 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.86 3.77 0.00 1.85 1.59 1.09 0.73 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 57 Q 8.04 3.97 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 58 C 8.27 4.43 0.00 3.58 3.48 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 59 L 7.18 3.65 0.00 0.27 0.97 0.33 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.16 3.87 0.00 2.13 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 2.30 2.34 0.00 61 E 8.11 4.11 0.00 2.21 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 2.40 2.40 0.00 62 E 8.03 4.49 0.00 2.50 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 0.00 2.60 3.11 0.00 63 L 7.80 4.16 0.00 1.77 1.73 0.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.95 3.94 0.00 1.76 1.81 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 65 P 0.00 4.07 0.00 1.83 1.75 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 66 L 8.01 4.24 0.00 2.07 1.97 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.40 3.91 0.00 2.21 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 0.00 2.30 2.32 0.00 68 E 8.24 3.86 0.00 2.12 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 2.17 2.17 0.00 69 V 7.68 3.26 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 1.11 0.00 0.00 0.50 0.00 0.00 70 L 7.65 3.95 0.00 1.84 1.68 0.93 1.04 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 71 N 8.13 4.44 0.00 2.90 2.86 0.00 0.00 7.12 8.50 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 72 L 8.03 4.07 0.00 1.71 1.74 0.67 1.11 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 73 A 6.94 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.92 4.39 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 *78 F 8.28 4.53 0.00 2.98 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 79 H 8.09 4.40 0.00 3.20 3.22 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.55 4.67 0.00 1.73 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.35 4.50 0.00 1.73 1.81 0.00 3.27 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.00 82 P 0.00 4.35 0.00 2.15 2.15 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 83 R 7.96 4.19 0.00 2.10 2.20 0.00 3.13 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 84 D 8.11 4.30 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 85 L 7.84 4.04 0.00 1.79 1.69 1.00 1.13 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 86 I 7.96 3.77 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.73 0.92 0.00 0.00 87 S 7.90 4.12 0.00 4.06 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 88 N 8.13 4.27 0.00 2.86 2.99 0.00 0.00 7.26 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 89 I 7.80 3.71 2.01 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 1.42 0.62 0.87 0.00 0.00 90 N 8.68 4.22 0.00 2.92 2.93 0.00 0.00 6.88 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 91 V 7.95 3.57 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 0.97 0.00 0.00 0.95 0.00 0.00 92 I 7.58 3.68 2.00 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 1.41 0.47 0.99 0.00 0.00 93 V 8.11 3.56 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 1.01 0.00 0.00 0.83 0.00 0.00 94 L 8.12 3.98 0.00 1.98 1.70 0.95 0.79 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 95 E 8.08 4.19 0.00 1.96 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 2.34 2.46 0.00 96 L 7.92 4.19 0.00 1.73 1.76 0.98 0.79 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 97 K 8.22 4.24 0.00 1.92 1.96 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.34 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.47 7.81 98 G 7.41 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 *103 F 7.76 4.49 0.00 2.98 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 0.00 104 M 7.71 4.21 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 105 C 8.34 3.93 0.00 2.78 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 0.00 106 E 8.47 4.55 0.00 1.93 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 0.00 2.31 2.27 0.00 107 Y 8.51 5.24 0.00 2.96 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 0.00 108 A 9.12 4.28 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 0.00 109 D 8.83 4.48 0.00 2.72 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 0.00 110 E 7.99 4.14 0.00 1.96 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 2.32 2.24 0.00 111 T 8.10 4.38 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 0.55 0.00 0.00 112 A 8.83 4.93 1.30 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 0.00 0.00 0.00 113 T 8.45 4.62 4.31 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 1.30 0.00 0.00 114 I 8.68 2.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.95 0.00 0.00 115 V 7.65 3.57 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 1.12 0.00 0.00 0.95 0.00 0.00 116 E 8.01 3.95 0.00 2.10 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 2.32 2.37 0.00 117 F 8.41 4.20 0.00 3.23 3.07 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 0.00 0.00 0.00 118 L 8.14 3.92 0.00 1.92 1.72 0.96 0.58 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 0.00 119 N 8.46 4.29 0.00 2.94 2.86 0.00 0.00 6.68 7.67 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 0.00 120 R 7.90 3.73 0.00 1.84 1.72 0.00 2.94 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.96 0.00 121 W 7.66 4.34 0.00 3.14 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 0.00 122 I 8.02 3.82 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.94 0.00 0.00 123 T 7.99 3.86 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 1.19 0.00 0.00 124 F 8.30 4.07 0.00 3.01 3.35 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 0.00 125 C 8.40 4.02 0.00 3.32 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 0.00 126 Q 8.21 3.96 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 127 S 8.00 4.07 0.00 3.91 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 0.00 128 I 7.43 3.74 1.59 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.14 0.77 0.00 0.00 129 I 7.83 3.66 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.89 0.00 0.00 130 S 7.73 4.24 0.00 4.00 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 0.00 131 T 7.49 4.29 4.20 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 1.23 0.00 0.00 132 L 7.51 4.58 0.00 1.72 1.70 0.90 0.66 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 0.00 133 T 7.95 4.02 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.