NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3543 8.1133 120.8381 56.4305 32.2969 177.2415 2 D 4.2113 8.1078 117.5395 56.6049 40.7009 177.3507 3 K 3.8527 8.4459 120.9880 59.6071 32.6307 178.4841 4 F 4.6769 7.4769 117.3814 60.5333 38.9077 177.7152 5 M 4.0374 8.8673 119.1200 58.2155 31.7978 178.0186 6 D 4.5736 8.3294 118.2907 57.5895 41.3306 178.0917 7 E 4.0033 8.2728 119.4487 59.0651 29.5498 178.4062 8 F 4.0787 8.4191 120.9269 61.5426 39.5296 177.2207 9 F 4.1221 8.5084 117.6214 60.3919 38.6254 177.8992 10 K 4.0166 8.3484 118.3414 59.4576 31.8482 179.3758 11 Q 3.9141 8.2811 118.8142 58.7480 28.4991 178.8915 12 V 3.3755 7.5631 119.4113 66.1337 31.4398 177.9223 13 E 3.8727 7.9605 117.9724 59.1821 29.2643 178.7813 14 E 3.6460 8.0098 119.3020 59.4518 29.6092 178.9363 15 I 3.7228 7.6147 119.4746 64.5576 37.1861 178.6291 16 R 3.9018 8.1958 119.0278 59.4219 29.8126 179.1565 17 Q 3.9743 8.3050 118.1467 59.1736 28.6538 178.5154 18 Y 4.4307 7.9133 117.8047 61.0067 37.7728 178.4404 19 I 3.8122 8.1076 121.0305 64.4730 37.1907 177.9720 20 D 4.3799 8.1973 119.7736 57.4782 40.6777 178.8979 21 R 3.9036 8.2449 119.0703 59.5409 30.0135 178.5237 22 I 3.5831 7.9135 119.1691 64.2782 37.1255 178.0823 23 A 3.9781 8.2381 121.7472 55.4418 18.2272 179.4133 24 E 3.9227 8.4920 117.2783 59.8626 29.5547 179.5446 25 N 4.3604 8.1581 116.3631 55.9979 38.4514 177.7749 26 V 3.5454 7.8350 119.9719 65.8869 31.6160 177.7266 27 E 3.9521 8.0780 118.3488 59.7725 29.3064 179.3263 28 E 3.9512 8.1514 118.3156 59.3431 29.4086 179.6147 29 V 3.4099 8.1846 118.4307 65.8072 31.4936 177.9019 30 A 3.9426 8.1295 120.5604 55.3292 18.1770 179.7563 31 R 3.8592 8.1252 116.5739 59.5200 30.0251 179.3947 32 Q 3.9423 8.2653 117.9556 59.1623 28.7201 178.2213 33 H 4.0027 8.3673 120.1117 59.6750 28.7523 178.4944 34 Q 4.0328 8.3599 122.0861 60.1035 27.6670 180.0007 35 A 4.2073 8.2994 123.5697 55.0453 18.2121 179.7548 36 I 3.6909 7.8168 117.1947 64.7149 37.3644 178.5436 37 L 4.1828 7.9986 117.3944 56.8310 41.5851 178.5269 38 A 4.2657 7.8785 119.4253 52.2057 19.3223 177.0835 39 S 4.5446 7.0214 111.2829 56.3390 63.4029 172.5447 40 P 4.4189 0.0000 0.0000 64.3982 31.5937 175.4309 41 N 5.0768 7.5651 114.8157 50.2647 42.2928 172.1067 42 P 3.9484 0.0000 0.0000 62.5379 32.0961 176.9174 43 N 4.6090 7.7185 117.7703 50.9687 41.1301 175.0791 44 W 4.4386 8.3232 128.8616 59.0445 29.2599 178.2879 45 F 4.2156 8.4589 120.8989 61.4462 39.0084 176.5326 46 D 4.1993 9.0750 118.9467 57.3929 40.5885 179.0752 47 I 3.7429 7.6481 119.7102 64.5335 37.1422 178.5485 48 S 4.1671 8.4067 116.3967 61.7960 62.5720 176.7045 49 Q 3.8715 8.1093 122.5585 58.6512 28.6937 177.7168 50 L 3.8656 7.8253 121.4849 58.2410 42.1513 179.0073 51 L 4.0289 7.8735 118.7389 57.4437 41.5556 179.1916 52 W 4.3019 8.4169 128.3463 60.6888 30.5824 177.8732 53 L 3.7720 8.2110 118.9141 58.2073 41.0730 179.5938 54 M 3.9957 8.2065 118.2430 58.0914 31.8456 178.7110 55 A 3.8727 7.9293 121.1995 54.9959 18.4871 179.2391 56 D 3.8434 7.4915 116.5508 57.1133 41.1398 178.3277 57 I 3.4162 7.5892 120.5942 64.1919 37.0766 177.9396 58 K 3.7802 7.8166 120.1242 59.6449 31.7378 178.0938 59 E 3.7862 8.0193 119.1342 59.7762 29.5659 179.0186 60 T 3.4544 8.1390 115.7769 66.3558 68.3699 176.6596 61 A 4.0502 8.2892 123.2034 55.0362 18.3324 179.0867 62 N 4.2476 8.1121 115.6679 56.9623 38.8980 176.9830 63 E 3.8439 7.7116 119.7846 59.1152 29.4297 179.4548 64 V 3.3768 7.4528 118.2347 65.9560 31.4554 178.1766 65 R 3.8681 8.0466 118.0880 59.2327 29.8608 179.1252 66 K 3.9182 8.2221 118.3336 59.5914 32.1301 179.6298 67 K 3.9870 8.3407 119.0016 59.3683 31.9619 179.5423 68 L 4.0501 8.3154 119.8379 57.4160 41.4263 179.3287 69 K 3.8630 8.2901 119.8272 59.5675 32.2202 178.0878 70 E 3.8948 8.3327 119.6788 59.6561 29.4691 179.0515 71 I 3.7153 7.7523 119.3718 64.2268 37.1466 177.6851 72 E 3.7464 8.5934 120.5955 59.6092 29.2811 179.1076 73 Q 3.9230 8.2542 117.7835 59.0685 28.6847 178.4830 74 S 4.0173 7.9273 114.0360 61.5742 62.2776 176.5119 75 I 3.6594 7.8056 122.1562 64.5143 36.7131 178.2498 76 E 3.9734 8.0473 118.0655 59.3290 29.2659 179.0653 77 Q 4.1217 8.1722 121.5560 59.8254 29.3172 178.3634 78 E 4.1222 7.6910 117.1616 58.8667 30.2866 178.3541 79 E 4.1397 7.3581 118.0769 56.0146 30.4038 176.0193 *83 K 3.9713 8.3217 124.8360 55.9325 32.4377 175.4423 84 S 4.1074 8.7105 122.4146 58.9234 63.4886 175.4354 85 S 4.3590 8.4436 118.2689 57.8652 64.7788 175.4599 86 A 3.9594 8.3689 122.9328 55.6464 18.1617 179.5882 87 D 4.3285 8.0643 116.7655 57.2855 40.7719 178.7534 88 L 3.8615 7.7340 120.5818 57.8081 42.0224 179.0306 89 K 3.9394 8.0968 118.4886 59.4003 31.9846 179.1163 90 I 3.7317 8.0577 120.4671 64.7037 37.0808 178.6508 91 R 3.4137 7.6504 118.5132 58.8871 29.6739 179.4044 92 K 3.9788 8.3327 118.5945 59.5538 32.1056 179.4908 93 R 3.9722 8.2623 118.6333 59.5887 29.9829 179.1733 94 Q 4.1065 8.2729 117.6440 59.3164 28.7705 178.3671 95 H 4.2188 8.6275 119.3301 59.1466 29.8927 177.1335 96 E 3.9938 8.6438 120.8741 59.4302 29.3589 178.8902 97 E 3.9691 8.3669 119.2516 59.3503 29.6131 178.9106 98 L 4.0115 8.1559 119.0264 57.7917 41.6092 179.1380 99 E 4.0741 8.2417 118.5343 59.6106 29.3549 179.7088 100 R 3.9421 8.0676 117.8016 59.2277 30.0907 179.2490 101 K 3.9758 8.0258 118.1350 59.5208 32.1715 179.2049 102 F 4.4745 8.7189 123.5975 62.1186 39.2613 178.0455 103 R 3.7143 8.4159 120.6977 61.0704 29.2405 180.4091 104 E 4.1007 8.3369 119.9815 59.2418 29.7336 179.3277 105 V 3.6639 8.0888 119.6223 65.2387 31.3949 178.3078 106 M 4.1456 7.8657 119.2503 57.7268 31.7202 178.6147 107 K 3.8859 8.2289 120.1875 59.4072 32.3146 178.5370 108 E 3.9702 8.1849 119.4957 59.0702 29.5436 178.0227 109 Y 4.2751 8.0352 119.7145 60.7878 38.8619 177.5767 110 N 3.9708 8.3052 117.6900 56.6580 39.1309 176.3652 111 A 4.1617 8.0206 121.9924 55.7561 18.4727 179.7519 112 T 3.8780 7.9729 114.0149 66.9042 68.4542 177.0120 113 Q 4.0270 8.1250 119.9928 58.9950 28.7226 178.5108 114 Q 3.9659 8.4472 119.5336 59.1246 28.6044 178.9940 115 D 4.3131 8.0790 119.6432 57.3348 40.9364 177.9674 116 Y 4.1943 7.8414 119.9107 60.7993 38.8346 178.1405 117 R 3.6081 8.0883 119.5495 59.3121 30.2355 178.4193 118 K 3.9141 7.9420 119.2564 59.6422 32.1901 179.1357 119 R 3.9609 8.7172 118.7781 58.9722 29.8826 178.9139 120 A 3.8769 8.3518 121.3289 54.7386 18.2967 179.5777 121 R 3.7518 7.7081 116.8409 59.4642 29.9372 178.7458 122 K 3.8720 7.5903 116.5947 59.5036 32.4276 178.6960 123 R 4.0041 8.0351 118.8371 59.7397 29.7476 177.6705 124 N 4.2421 8.2017 115.4701 56.9492 38.9622 176.1740 125 L 4.1997 7.7082 117.6250 56.1987 41.8705 176.9053 126 E 4.1515 7.9588 123.6481 56.5539 29.4506 176.4463 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 R 8.11 4.35 0.00 1.92 1.98 0.00 3.32 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 2 D 8.11 4.21 0.00 2.83 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 3 K 8.45 3.85 0.00 1.63 1.08 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.10 7.81 4 F 7.48 4.68 0.00 3.19 2.94 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 5 M 8.87 4.04 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 6 D 8.33 4.57 0.00 3.03 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 7 E 8.27 4.00 0.00 2.27 2.25 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 2.40 2.43 0.00 8 F 8.42 4.08 0.00 3.04 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 9 F 8.51 4.12 0.00 3.31 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 10 K 8.35 4.02 0.00 1.98 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.62 7.81 11 Q 8.28 3.91 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 12 V 7.56 3.38 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 1.08 0.00 0.00 0.16 0.00 0.00 13 E 7.96 3.87 0.00 2.13 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 2.49 2.43 0.00 14 E 8.01 3.65 0.00 2.16 1.81 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 1.99 2.22 0.00 15 I 7.61 3.72 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.83 0.00 0.00 16 R 8.20 3.90 0.00 1.95 1.95 0.00 3.20 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 1.64 1.65 0.00 17 Q 8.30 3.97 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 18 Y 7.91 4.43 0.00 3.07 2.80 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 19 I 8.11 3.81 1.91 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 1.60 0.90 1.01 0.00 0.00 20 D 8.20 4.38 0.00 2.85 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 R 8.24 3.90 0.00 2.07 2.21 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 22 I 7.91 3.58 2.06 0.00 0.00 1.00 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 0.64 0.84 0.00 0.00 23 A 8.24 3.98 1.37 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 24 E 8.49 3.92 0.00 2.15 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 2.34 2.52 0.00 25 N 8.16 4.36 0.00 2.78 2.71 0.00 0.00 6.67 7.06 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 26 V 7.83 3.55 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 1.21 0.00 0.00 0.87 0.00 0.00 27 E 8.08 3.95 0.00 2.23 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 2.34 2.49 0.00 28 E 8.15 3.95 0.00 2.16 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 2.51 0.00 29 V 8.18 3.41 2.24 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 0.88 0.00 0.00 0.92 0.00 0.00 30 A 8.13 3.94 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 31 R 8.13 3.86 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 32 Q 8.27 3.94 0.00 2.05 2.03 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 2.51 2.46 0.00 33 H 8.37 4.00 0.00 3.26 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.36 4.03 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 35 A 8.30 4.21 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 36 I 7.82 3.69 2.13 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 0.69 1.00 0.00 0.00 37 L 8.00 4.18 0.00 1.76 1.77 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.88 4.27 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 39 S 7.02 4.54 0.00 3.97 3.72 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 40 P 0.00 4.42 0.00 2.21 2.15 0.00 3.74 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 1.97 1.97 0.00 41 N 7.57 5.08 0.00 2.64 2.69 0.00 0.00 6.97 8.02 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 42 P 0.00 3.95 0.00 1.31 0.90 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 43 N 7.72 4.61 0.00 2.62 2.58 0.00 0.00 7.01 7.95 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 44 W 8.32 4.44 0.00 3.55 3.30 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 45 F 8.46 4.22 0.00 3.18 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 46 D 9.08 4.20 0.00 2.85 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 47 I 7.65 3.74 2.26 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 1.11 0.00 0.00 48 S 8.41 4.17 0.00 4.01 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 49 Q 8.11 3.87 0.00 1.22 1.59 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 2.21 2.34 0.00 50 L 7.83 3.87 0.00 1.72 1.81 0.77 0.34 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 51 L 7.87 4.03 0.00 1.96 1.79 0.97 0.91 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 52 W 8.42 4.30 0.00 3.40 3.25 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 53 L 8.21 3.77 0.00 1.86 1.62 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 54 M 8.21 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.71 0.00 55 A 7.93 3.87 1.14 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 0.00 0.00 56 D 7.49 3.84 0.00 1.97 2.38 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 57 I 7.59 3.42 1.61 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.36 0.38 0.00 0.00 58 K 7.82 3.78 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 59 E 8.02 3.79 0.00 1.98 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 2.16 2.23 0.00 60 T 8.14 3.45 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 1.00 0.00 0.00 61 A 8.29 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.25 0.00 2.94 2.88 0.00 0.00 7.22 7.80 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 63 E 7.71 3.84 0.00 1.73 1.73 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 2.25 2.16 0.00 64 V 7.45 3.38 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 -0.09 0.00 0.00 0.78 0.00 0.00 65 R 8.05 3.87 0.00 2.02 2.01 0.00 3.28 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 66 K 8.22 3.92 0.00 1.88 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 67 K 8.34 3.99 0.00 1.81 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 68 L 8.32 4.05 0.00 1.83 1.76 0.80 0.60 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 69 K 8.29 3.86 0.00 1.92 2.09 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 70 E 8.33 3.89 0.00 2.06 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 0.00 2.32 2.37 0.00 71 I 7.75 3.72 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 1.51 0.97 1.09 0.00 0.00 72 E 8.59 3.75 0.00 2.06 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 0.00 2.44 2.31 0.00 73 Q 8.25 3.92 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 74 S 7.93 4.02 0.00 4.00 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 75 I 7.81 3.66 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.43 0.86 0.00 0.00 76 E 8.05 3.97 0.00 2.03 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 2.33 2.29 0.00 77 Q 8.17 4.12 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 78 E 7.69 4.12 0.00 2.06 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 2.26 2.18 0.00 79 E 7.36 4.14 0.00 2.12 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 2.30 2.22 0.00 *83 K 8.32 3.97 0.00 1.78 1.78 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 84 S 8.71 4.11 0.00 3.88 3.79 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 85 S 8.44 4.36 0.00 4.03 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 86 A 8.37 3.96 1.34 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 0.00 0.00 87 D 8.06 4.33 0.00 2.66 2.64 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 88 L 7.73 3.86 0.00 1.69 1.76 0.83 0.88 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 89 K 8.10 3.94 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 90 I 8.06 3.73 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 1.09 0.00 0.00 91 R 7.65 3.41 0.00 1.71 1.47 0.00 2.38 0.00 0.00 2.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 92 K 8.33 3.98 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.59 7.81 93 R 8.26 3.97 0.00 2.11 2.05 0.00 3.20 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 1.68 1.76 0.00 94 Q 8.27 4.11 0.00 2.57 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 95 H 8.63 4.22 0.00 3.39 3.51 0.00 5.59 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 96 E 8.64 3.99 0.00 2.26 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 2.38 2.40 0.00 97 E 8.37 3.97 0.00 2.08 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 0.00 2.34 2.39 0.00 98 L 8.16 4.01 0.00 1.69 1.67 0.88 0.77 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 99 E 8.24 4.07 0.00 2.16 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 2.24 2.49 0.00 100 R 8.07 3.94 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 101 K 8.03 3.98 0.00 2.01 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.63 7.81 102 F 8.72 4.47 0.00 3.06 3.28 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 0.00 103 R 8.42 3.71 0.00 1.84 1.92 0.00 3.32 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 104 E 8.34 4.10 0.00 2.03 2.24 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 2.32 2.32 0.00 105 V 8.09 3.66 2.13 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 0.89 0.00 0.00 0.97 0.00 0.00 106 M 7.87 4.15 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.23 0.00 107 K 8.23 3.89 0.00 1.87 1.95 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 E 8.18 3.97 0.00 2.18 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 2.33 2.40 0.00 109 Y 8.04 4.28 0.00 3.01 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 0.00 110 N 8.31 3.97 0.00 2.74 2.87 0.00 0.00 7.17 8.33 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 0.00 111 A 8.02 4.16 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 0.00 112 T 7.97 3.88 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 113 Q 8.12 4.03 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 114 Q 8.45 3.97 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 115 D 8.08 4.31 0.00 2.95 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 0.00 116 Y 7.84 4.19 0.00 2.51 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 0.00 117 R 8.09 3.61 0.00 1.84 2.01 0.00 3.10 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 118 K 7.94 3.91 0.00 1.86 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 119 R 8.72 3.96 0.00 2.02 1.98 0.00 3.29 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 120 A 8.35 3.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.71 3.75 0.00 1.99 2.05 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 122 K 7.59 3.87 0.00 1.97 1.85 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 123 R 8.04 4.00 0.00 2.00 2.09 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 124 N 8.20 4.24 0.00 2.75 3.08 0.00 0.00 7.38 7.35 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 0.00 125 L 7.71 4.20 0.00 1.83 1.69 0.90 0.71 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 0.00 126 E 7.96 4.15 0.00 2.10 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 2.34 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.