NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9473 8.3393 109.7375 45.5839 0.0000 171.9399 0 S 4.7377 8.4814 112.6787 56.2086 66.9574 171.3377 1 M 5.3089 9.2495 119.6815 53.6013 36.6172 176.0505 2 K 4.9708 9.0785 119.5831 54.6117 37.1563 175.1998 3 K 4.7443 9.2914 125.2089 55.3704 33.8267 175.2850 4 V 4.5772 9.0677 128.5476 61.6661 33.3097 174.1260 5 E 5.2241 9.3885 127.9695 54.5017 32.2863 174.7458 6 A 4.9759 9.1070 126.7149 50.0449 22.2800 174.8541 7 I 4.8764 8.4792 124.0737 59.7209 39.1789 174.8963 8 I 5.0617 8.5248 120.4427 58.4391 41.7795 175.0365 9 R 4.3064 8.3544 120.8260 55.4525 30.7902 176.4085 10 P 4.2193 0.0000 0.0000 65.6305 31.4757 178.0058 11 E 4.1974 8.1240 113.6455 57.7281 29.9155 177.7320 12 K 4.3895 8.0666 119.2813 56.3020 32.4784 177.7467 13 L 3.9094 7.6734 122.1589 58.2157 42.0870 178.4762 14 E 3.9444 8.0813 118.7182 59.3091 29.6722 178.6810 15 I 3.7299 7.6487 119.4357 64.2196 37.1930 178.3832 16 V 3.5669 7.7657 119.1207 65.9378 31.3240 177.9389 17 K 3.9204 8.4030 119.7748 59.2658 32.0035 178.6241 18 K 3.8842 8.1765 119.6031 59.4977 32.0690 178.4848 19 A 4.0248 8.0738 121.0081 55.2684 18.2386 179.5957 20 L 4.1043 8.3168 117.6479 58.1237 41.7523 179.8708 21 S 4.2400 8.3329 115.2158 61.9376 62.5994 176.6291 22 D 4.3865 8.4851 120.2084 56.7759 40.5767 177.7238 23 A 4.3780 7.4488 118.9229 51.8285 19.0016 177.8607 24 G 3.6063 7.9753 106.4072 45.4385 0.0000 174.1379 25 Y 4.5976 7.4835 118.3515 56.5104 36.8939 175.2479 26 V 4.0762 8.1787 123.9377 61.6725 33.1102 176.8871 27 G 3.9123 8.0226 109.5262 44.7749 0.0000 172.3470 28 M 5.0881 8.1621 122.2294 53.4554 34.8082 174.4552 29 T 4.7034 8.9629 117.1564 61.8124 71.7057 173.3321 30 V 5.0355 8.4175 125.0951 61.1242 34.2567 174.6349 31 S 4.8038 9.0048 121.1587 56.5954 66.8970 172.6289 32 E 4.6421 8.7398 121.1642 56.1409 30.4011 176.0568 33 V 4.6462 8.7416 116.6042 59.7200 36.8487 174.0702 34 K 5.0488 8.6997 119.7456 54.8340 34.9203 176.3748 35 G 4.3440 9.2838 111.0511 44.4970 0.0000 171.8325 36 R 5.1392 8.4434 119.9476 54.8549 33.2883 175.0875 37 G 3.8911 8.3466 115.2006 45.6731 0.0000 172.4286 38 V 4.1667 8.3004 118.2698 60.3734 33.9436 169.0156 39 Q 4.7930 8.3848 125.0553 55.1322 30.8453 176.3841 40 G 3.7213 9.7975 102.5097 45.5053 0.0000 175.0709 41 G 3.9334 9.0812 113.5409 45.8353 0.0000 173.1853 42 I 3.2009 8.4019 116.6486 61.8847 36.3616 174.6253 43 V 4.5854 7.6447 111.3018 59.4323 34.0853 175.1341 44 E 4.5603 8.8308 126.2228 55.5855 32.1012 175.9086 45 R 4.6297 8.3491 120.0424 55.7087 30.8230 173.9581 46 Y 4.5809 8.1608 124.2512 56.0441 41.6706 174.6658 47 R 3.4311 9.3238 128.4303 57.2921 29.2789 174.3152 48 G 3.9875 7.4465 106.8461 44.9787 0.0000 178.2175 49 R 4.6301 8.2727 117.5270 54.3881 30.6322 171.1552 50 E 4.9133 8.1033 120.2455 56.2634 33.8573 174.5603 *51 Y 4.5778 8.0827 125.3896 56.9201 41.1938 172.2528 52 I 4.0728 7.7884 111.8813 61.5677 38.4093 174.0156 53 V 4.2725 8.2454 122.8924 59.0016 32.5626 175.7818 54 D 4.7350 8.6376 124.2830 53.3503 40.8331 176.4490 55 L 4.9097 7.6401 119.2678 53.8376 43.4078 176.1160 56 I 4.7034 8.4362 121.7785 58.9808 42.1424 172.7602 57 P 4.8039 0.0000 0.0000 63.1840 31.9195 175.6670 58 K 4.7678 9.3218 122.6634 54.7727 37.3957 174.9407 59 V 4.7830 8.5754 120.4869 61.0971 34.5366 173.9198 60 K 4.9069 9.0683 129.3060 55.0005 34.1120 174.6645 61 I 4.8774 8.9401 128.8102 59.6523 39.7022 174.4020 62 E 5.1616 9.2568 126.4507 54.4137 32.7435 174.7405 63 L 4.9149 9.0618 126.3844 53.2335 45.5122 174.9455 64 V 4.6873 8.5029 126.2601 61.7177 32.7048 175.0554 65 V 4.6944 8.7941 120.4820 58.9734 36.5792 175.3695 66 K 4.3402 8.6259 121.2713 56.3223 32.9063 178.0987 67 E 3.9461 9.0405 122.0454 59.9034 28.9732 179.6288 68 E 4.0710 8.1590 116.6206 58.6570 30.0014 177.7533 69 D 4.6969 8.1823 118.6977 54.7962 41.1489 178.4649 70 V 3.4893 7.5721 119.8698 66.0953 31.5523 177.4242 71 D 4.3261 8.0611 118.0872 57.4301 40.6985 178.2618 72 N 4.3046 8.0810 116.9289 56.6581 39.0673 176.8368 73 V 3.3915 7.7601 119.6618 66.0016 31.4390 178.0503 74 I 3.6440 7.8860 119.5832 64.3760 36.8932 178.0707 75 D 4.3392 8.2021 119.6968 57.4889 40.7062 178.9225 76 I 3.7069 7.8283 120.0847 64.4756 37.0512 178.5957 77 I 3.6626 7.8474 120.4810 64.5873 36.8747 178.2822 78 C 4.0682 8.2537 117.7406 62.7624 27.7404 175.7205 79 E 3.9012 8.0945 119.6447 59.3632 29.3359 178.1219 80 N 4.5824 8.0256 113.8501 54.5424 39.0637 176.4702 81 A 4.3872 8.0448 121.1965 52.0443 19.8016 177.6964 82 R 4.2413 7.0576 113.6218 56.1411 30.3718 176.5783 83 T 4.4261 8.4043 106.0237 60.5720 70.1588 175.2065 84 G 3.9360 8.4480 109.7648 45.1840 0.0000 172.7799 85 N 5.0042 7.7831 117.0096 50.2379 40.9811 172.6529 86 P 4.3094 0.0000 0.0000 64.6205 31.8178 176.7598 87 G 4.0787 8.8872 110.0647 45.5686 0.0000 174.2645 88 D 4.2820 7.3653 121.4813 55.9267 40.9740 175.0124 89 G 4.1832 7.9562 101.8642 44.5731 0.0000 172.3458 90 K 4.5989 8.1616 115.7005 54.6214 36.8082 175.6447 91 I 4.6629 7.9498 122.1433 59.4659 40.1198 174.9431 92 F 5.2078 9.0643 125.0747 55.6594 42.4247 174.2691 93 V 4.9000 8.5766 122.0008 61.2512 33.5164 174.6503 94 I 4.7774 8.7262 128.7450 58.4662 40.5923 173.3065 95 P 4.6195 0.0000 0.0000 62.9028 32.0948 175.6367 96 V 4.3860 8.1455 122.3298 61.4464 32.8567 175.2956 97 E 4.3382 9.0326 126.9898 57.9631 30.2029 176.7339 98 R 4.6576 7.4897 115.5604 54.7740 34.3870 174.1305 99 V 4.5212 8.2791 120.7979 61.0888 34.9485 174.1617 100 V 4.8928 8.2640 126.3394 61.0295 34.5487 174.4490 101 R 4.1164 9.0702 129.2924 55.7525 30.3967 177.1299 102 V 3.5676 8.7130 126.9202 66.1069 31.8485 177.0715 103 R 4.0675 8.0889 118.7630 58.6604 30.0582 176.7475 104 T 4.3774 7.6777 104.3134 60.3465 70.2585 174.5322 105 K 3.9795 8.4691 120.3591 57.1381 30.0380 175.6142 106 E 4.0813 7.9972 119.0029 56.7463 29.7998 176.0668 107 E 5.2483 7.6230 119.9117 54.1702 33.7055 176.7437 108 G 3.9164 8.4335 108.3541 44.7515 0.0000 174.1450 109 K 4.1829 8.3932 116.4873 58.9269 33.0185 178.7391 110 E 3.7976 8.2017 119.7262 59.1486 29.7200 178.5845 111 A 4.3519 7.7076 119.9333 53.9288 18.5816 178.6032 112 L 4.1772 7.3451 115.3595 57.2536 41.9567 178.0804 113 L 4.1962 7.4520 117.7306 55.2362 42.1721 177.0259 114 E 4.2415 8.3702 119.5212 56.8806 30.5489 175.3297 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 G 8.34 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 0.00 0.00 0.00 0 S 8.48 4.74 0.00 3.86 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 1 M 9.25 5.31 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 9.08 4.97 0.00 1.57 1.63 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 9.29 4.74 0.00 1.79 1.80 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 4 V 9.07 4.58 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 0.91 0.00 0.00 0.86 0.00 0.00 5 E 9.39 5.22 0.00 2.04 1.89 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 2.27 2.30 0.00 6 A 9.11 4.98 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 0.00 0.00 0.00 0.00 0.00 7 I 8.48 4.88 1.77 0.00 0.00 0.96 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 0.86 0.90 0.00 0.00 8 I 8.52 5.06 1.84 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 1.34 0.89 0.86 0.00 0.00 9 R 8.35 4.31 0.00 1.88 2.13 0.00 3.13 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 10 P 0.00 4.22 0.00 2.17 2.10 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 11 E 8.12 4.20 0.00 2.07 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 0.00 2.27 2.27 0.00 12 K 8.07 4.39 0.00 1.89 1.85 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.71 7.81 13 L 7.67 3.91 0.00 1.78 1.77 0.92 0.65 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 14 E 8.08 3.94 0.00 2.12 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 2.38 2.46 0.00 15 I 7.65 3.73 1.87 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 1.52 0.55 0.91 0.00 0.00 16 V 7.77 3.57 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 1.07 0.00 0.00 1.00 0.00 0.00 17 K 8.40 3.92 0.00 1.92 1.98 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 K 8.18 3.88 0.00 2.14 1.79 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 19 A 8.07 4.02 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 20 L 8.32 4.10 0.00 1.95 2.00 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.33 4.24 0.00 4.02 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 22 D 8.49 4.39 0.00 2.74 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 23 A 7.45 4.38 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 24 G 7.98 3.61 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 0.00 25 Y 7.48 4.60 0.00 3.10 2.90 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 26 V 8.18 4.08 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 0.74 0.00 0.00 0.94 0.00 0.00 27 G 8.02 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 28 M 8.16 5.09 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 29 T 8.96 4.70 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 1.22 0.00 0.00 30 V 8.42 5.04 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 9.00 4.80 0.00 3.87 3.88 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 32 E 8.74 4.64 0.00 1.88 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 2.29 2.28 0.00 33 V 8.74 4.65 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 0.77 0.00 0.00 1.00 0.00 0.00 34 K 8.70 5.05 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 35 G 9.28 4.34 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 0.00 36 R 8.44 5.14 0.00 1.77 1.75 0.00 3.24 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 37 G 8.35 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 0.00 0.00 0.00 38 V 8.30 4.17 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 0.75 0.00 0.00 0.93 0.00 0.00 39 Q 8.38 4.79 0.00 1.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 40 G 9.80 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 0.00 0.00 0.00 41 G 9.08 3.93 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 0.00 42 I 8.40 3.20 1.87 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 1.54 1.09 0.95 0.00 0.00 43 V 7.64 4.59 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 0.83 0.00 0.00 0.97 0.00 0.00 44 E 8.83 4.56 0.00 1.99 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 2.25 2.28 0.00 45 R 8.35 4.63 0.00 1.61 1.75 0.00 3.21 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 46 Y 8.16 4.58 0.00 2.85 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 47 R 9.32 3.43 0.00 0.67 1.10 0.00 3.10 0.00 0.00 2.74 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.00 48 G 7.45 3.99 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 0.00 0.00 0.00 49 R 8.27 4.63 0.00 1.78 1.68 0.00 3.31 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 50 E 8.10 4.91 0.00 1.70 1.69 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 2.12 1.86 0.00 *51 Y 8.08 4.58 0.00 2.03 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 0.00 0.00 0.00 52 I 7.79 4.07 1.87 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 1.34 0.86 0.91 0.00 0.00 53 V 8.25 4.27 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 0.86 0.00 0.00 0.97 0.00 0.00 54 D 8.64 4.73 0.00 2.75 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 55 L 7.64 4.91 0.00 1.54 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.44 4.70 1.87 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 1.23 0.36 0.91 0.00 0.00 57 P 0.00 4.80 0.00 1.93 1.99 0.00 3.61 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 2.02 2.12 0.00 58 K 9.32 4.77 0.00 1.59 1.77 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.50 7.81 59 V 8.58 4.78 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 1.03 0.00 0.00 0.99 0.00 0.00 60 K 9.07 4.91 0.00 1.85 1.66 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.42 7.81 61 I 8.94 4.88 1.84 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 1.22 0.51 0.90 0.00 0.00 62 E 9.26 5.16 0.00 1.86 1.82 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 2.22 2.22 0.00 63 L 9.06 4.91 0.00 1.64 1.39 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.50 4.69 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 0.86 0.00 0.00 0.93 0.00 0.00 65 V 8.79 4.69 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 0.60 0.00 0.00 0.88 0.00 0.00 66 K 8.63 4.34 0.00 1.86 1.92 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.04 3.95 0.00 2.19 2.35 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 2.31 2.35 0.00 68 E 8.16 4.07 0.00 2.16 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 2.31 2.37 0.00 69 D 8.18 4.70 0.00 2.89 2.82 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 70 V 7.57 3.49 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 1.08 0.00 0.00 1.00 0.00 0.00 71 D 8.06 4.33 0.00 2.81 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 72 N 8.08 4.30 0.00 2.90 3.06 0.00 0.00 6.80 7.71 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 73 V 7.76 3.39 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 0.74 0.00 0.00 -0.00 0.00 0.00 74 I 7.89 3.64 1.97 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 1.47 0.56 0.88 0.00 0.00 75 D 8.20 4.34 0.00 2.86 2.72 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 76 I 7.83 3.71 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.95 0.00 0.00 77 I 7.85 3.66 1.82 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 1.49 0.75 0.86 0.00 0.00 78 C 8.25 4.07 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.90 0.00 2.11 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 2.36 0.00 80 N 8.03 4.58 0.00 2.85 2.85 0.00 0.00 7.00 7.37 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 81 A 8.04 4.39 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 82 R 7.06 4.24 0.00 1.89 2.00 0.00 3.00 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 83 T 8.40 4.43 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 1.25 0.00 0.00 84 G 8.45 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 85 N 7.78 5.00 0.00 2.76 2.70 0.00 0.00 6.96 8.14 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 86 P 0.00 4.31 0.00 2.03 1.99 0.00 3.63 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 2.03 2.09 0.00 87 G 8.89 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.37 4.28 0.00 2.74 2.72 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 89 G 7.96 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.16 4.60 0.00 1.24 1.23 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 91 I 7.95 4.66 1.76 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 1.20 0.48 0.83 0.00 0.00 92 F 9.06 5.21 0.00 2.91 2.75 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 93 V 8.58 4.90 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 0.82 0.00 0.00 0.94 0.00 0.00 94 I 8.73 4.78 1.89 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 1.28 0.76 0.91 0.00 0.00 95 P 0.00 4.62 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.15 4.39 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 0.83 0.00 0.00 0.96 0.00 0.00 97 E 9.03 4.34 0.00 1.99 1.99 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 2.28 2.32 0.00 98 R 7.49 4.66 0.00 1.75 1.78 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 99 V 8.28 4.52 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 0.99 0.00 0.00 0.94 0.00 0.00 100 V 8.26 4.89 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 0.84 0.00 0.00 0.93 0.00 0.00 101 R 9.07 4.12 0.00 1.91 1.79 0.00 3.16 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 102 V 8.71 3.57 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 0.93 0.00 0.00 103 R 8.09 4.07 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.68 4.38 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 0.00 105 K 8.47 3.98 0.00 1.92 1.96 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 106 E 8.00 4.08 0.00 2.05 1.88 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 2.33 2.29 0.00 107 E 7.62 5.25 0.00 1.90 1.83 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 2.19 2.36 0.00 108 G 8.43 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 0.00 0.00 0.00 109 K 8.39 4.18 0.00 1.96 2.09 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.47 7.81 110 E 8.20 3.80 0.00 2.15 2.12 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 2.40 2.37 0.00 111 A 7.71 4.35 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 0.00 112 L 7.35 4.18 0.00 1.85 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.45 4.20 0.00 1.77 1.62 0.93 0.95 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 0.00 114 E 8.37 4.24 0.00 1.90 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 2.41 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.