NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.3807 8.4249 118.1033 50.5037 40.9922 169.8143 2 E 3.4922 7.6493 126.6003 55.3387 29.3879 173.2351 3 F 4.3957 9.5717 124.7021 56.8091 40.7390 172.1207 4 E 3.5699 8.8474 131.2699 56.0054 25.8530 173.5378 5 L 4.5139 8.3032 123.6400 53.3731 42.6322 176.0668 6 G 3.9909 8.1885 118.3211 45.0406 0.0000 170.6560 7 T 4.2856 8.4699 117.7679 60.5701 68.6383 175.0687 8 R 4.2584 8.3562 129.0809 55.0220 29.6840 176.9636 9 G 3.9515 8.2622 119.6364 44.8952 0.0000 171.3560 10 S 4.5370 7.7380 113.9248 59.1242 64.9811 174.9420 11 S 4.8309 8.0080 113.7961 58.3202 62.6253 174.7727 12 R 4.1615 7.8307 117.1128 57.0747 29.9056 176.2559 13 V 4.3477 6.8011 112.0245 59.1617 34.0215 174.7337 14 D 4.4291 8.3510 119.9473 53.4961 39.8169 176.3712 15 L 4.3910 8.2805 122.4084 53.7117 41.1132 175.1986 16 Q 4.7490 8.0044 123.1832 53.3979 32.2411 175.0154 17 E 4.1768 8.4534 116.6727 57.5444 29.9416 175.8127 18 Q 3.6544 8.6484 114.0641 57.0457 25.7830 176.3620 19 R 3.9335 8.1526 120.3468 59.3654 30.5223 177.6343 20 S 4.1369 8.1838 111.8870 59.4613 62.7151 171.7246 21 V 3.0991 7.8913 123.0589 61.8903 32.5129 170.6872 22 K 4.0876 8.2985 125.4311 57.5015 31.4745 176.8807 23 T 4.5020 7.5696 106.5705 61.3305 69.1548 175.0353 24 R 4.1786 7.3276 117.6265 56.6494 30.1605 176.2812 25 V 4.2865 7.6474 115.7234 61.4571 33.4370 172.9400 26 S 4.2660 8.6376 119.3234 60.2058 63.3665 174.3652 27 L 4.5751 7.5952 124.1198 53.4930 43.6790 175.0322 28 D 4.6213 8.5729 124.7871 54.1771 43.3177 175.1379 29 D 4.4162 7.7890 117.9312 52.9315 40.5671 175.6160 30 L 3.8636 7.9447 126.6819 54.2975 42.4611 176.8858 31 F 4.6905 8.1232 119.9930 56.8058 40.0387 175.7983 32 E 4.1417 8.9095 125.0979 56.5475 30.1413 176.3562 33 Q 4.1337 8.2223 115.1047 55.5622 27.9997 173.1200 34 I 4.0116 7.9470 113.3786 60.8667 38.6128 175.8321 35 K 4.1910 8.0094 120.6613 56.1754 33.7972 175.9249 36 Q 4.3385 8.6180 127.6411 54.8541 27.0922 175.4968 37 G 4.1719 7.9497 106.7042 44.9961 0.0000 171.6620 38 E 4.0876 8.1430 119.4200 59.4817 29.7579 178.4526 39 M 4.0583 7.8670 117.2660 55.8789 31.2608 177.5674 40 K 4.0008 7.9668 117.4319 55.7656 31.2113 174.0035 41 E 4.9173 8.4689 118.7756 54.8091 31.1143 175.6163 42 L 4.4742 9.1836 128.4618 53.9910 43.6253 174.9664 43 N 5.7028 8.6542 123.6568 51.7899 41.7839 173.6093 44 L 4.8931 8.4965 120.7197 54.9521 44.8466 173.5988 45 I 4.9226 8.7139 119.8397 59.2166 41.0843 174.0087 46 V 4.6780 8.4547 128.9797 61.3220 33.6644 174.6248 47 K 5.3976 8.9941 125.2279 54.2047 36.6095 175.1312 48 A 5.0738 8.3347 123.9829 50.9985 22.4584 176.6512 49 D 4.3148 8.8852 118.1454 54.8873 40.4009 176.7648 50 V 4.1800 7.4908 120.5973 60.9311 32.8817 175.9781 51 Q 3.9266 8.8240 128.7837 59.2370 29.3518 177.4941 52 G 3.8308 7.9748 104.1924 46.1177 0.0000 174.8259 53 S 4.1471 8.0076 115.8789 60.6205 62.3965 176.6338 54 V 3.6063 7.4639 114.8355 64.4415 31.4284 178.1937 55 E 4.0055 8.1713 118.1383 59.3425 28.7926 179.3171 56 A 3.9780 7.9637 120.8510 54.9372 18.4055 179.5095 57 L 3.7378 7.7067 119.0048 58.1259 42.2170 179.1770 58 V 3.5738 8.3098 118.4288 66.0355 31.2717 177.7905 59 A 4.4072 8.3335 118.9120 54.1525 18.1391 178.3753 60 A 4.4179 7.4091 118.3156 53.3289 19.7488 179.1300 61 L 4.0775 7.8231 118.0189 57.5120 41.6956 179.2406 62 Q 4.1327 8.6340 117.1943 58.1669 28.7130 177.4790 63 K 4.5993 7.1738 118.7604 56.0632 33.2101 176.8742 64 I 4.0246 7.1984 122.0055 61.3860 36.0050 174.7525 65 D 4.8877 8.3160 123.0035 52.5354 40.3071 176.3387 66 V 3.7052 7.7281 112.7794 61.7476 32.0203 175.7853 67 E 4.0293 8.5556 124.2747 56.5764 30.0806 174.3188 68 G 3.8290 8.5719 114.5342 44.2950 0.0000 174.0450 69 V 4.0518 8.1978 125.7083 60.9834 32.7331 174.8842 70 R 4.5514 7.9610 127.3910 54.9005 31.7496 175.8607 71 V 4.8881 8.3244 123.3158 61.0044 34.2398 174.3484 72 K 4.8027 9.2355 128.2803 54.9893 36.1181 174.6206 73 I 4.7873 8.3033 118.0206 60.2497 38.7434 175.2610 74 I 4.4505 8.4829 123.9886 62.2935 39.5571 175.2442 75 H 4.9381 7.8518 118.9275 55.2131 33.0193 172.2538 76 A 5.2827 8.3072 124.0812 50.5990 22.4247 175.1083 77 A 4.4267 8.4735 119.6687 51.1515 23.4036 176.4126 78 V 4.1051 7.7899 121.0864 59.9473 31.3319 175.0454 79 G 3.9978 7.9230 113.3084 46.4994 0.0000 169.4079 80 A 4.6937 8.4289 122.0784 50.4318 21.5694 176.6284 81 I 4.0907 8.4540 119.3069 61.6708 37.8625 175.8888 82 T 5.5032 8.2914 117.4210 58.9346 70.8709 174.8467 83 E 3.8878 9.2295 124.2503 60.0896 29.4703 179.4921 84 S 4.1556 8.0437 112.1646 61.4189 62.6043 175.5425 85 D 4.4625 8.1943 121.4716 56.8721 40.7342 178.7369 86 I 3.7785 7.4838 119.8021 64.3849 37.0768 178.4841 87 S 4.8942 7.6884 116.6801 60.7461 62.4520 176.4752 88 L 4.0732 7.8488 123.0516 57.6126 41.7306 178.5139 89 A 4.8073 7.6937 120.9540 55.1565 18.3665 179.3601 90 T 4.0064 7.7973 107.1341 64.0686 67.6912 175.5015 91 A 4.0980 7.2874 122.8221 55.2461 17.5000 178.4858 92 S 4.4394 8.5448 109.5556 58.1456 63.3260 175.2492 93 N 4.1419 7.9161 116.1900 53.9405 36.3379 173.4513 94 A 5.3318 7.6126 118.9047 50.1473 20.2201 177.7724 95 I 4.4349 8.2933 116.3077 60.1503 40.6104 174.9838 96 V 4.4412 8.1938 123.4729 61.9402 33.1098 174.3879 97 I 4.5715 8.5469 129.9354 59.7332 39.3422 174.2298 98 G 4.3128 8.8483 117.6444 44.6232 0.0000 171.7455 99 F 4.2442 8.9064 126.8712 56.7106 39.4518 174.7157 100 N 4.3024 8.5031 120.5934 54.1836 37.7816 175.5308 101 V 3.6982 7.5554 109.2717 63.9788 32.0431 177.6202 102 R 4.2087 7.9770 115.0103 55.6130 28.8550 173.7997 103 P 5.7757 0.0000 0.0000 60.4874 33.7720 174.6915 104 D 4.5756 8.2069 117.1815 53.8200 40.1145 177.7329 105 A 4.0509 8.4577 122.5560 55.0068 18.3298 179.4897 106 N 4.6110 8.0883 114.9719 56.1332 39.2967 176.8255 107 A 4.0108 7.8777 122.1024 55.0456 18.2073 179.4734 108 K 4.0442 8.4290 117.5975 60.0743 32.3881 179.7083 109 R 3.8166 7.4277 118.7423 59.0482 29.9595 178.3972 110 A 3.9654 8.4655 120.6476 55.2312 18.2529 179.1180 111 A 3.9964 8.4765 119.3932 55.8861 18.3128 179.8026 112 E 4.0379 7.7285 116.5115 58.6763 29.3961 178.3250 113 S 4.6682 7.7465 111.0204 58.3717 62.7435 173.7304 114 E 4.5367 7.4071 118.4589 56.1589 30.3199 177.0140 115 K 3.7678 7.9300 116.4306 56.7683 30.1668 175.9531 116 V 4.3166 8.1154 112.8828 59.4685 33.5184 174.8197 117 D 4.7786 8.5990 125.0148 51.9226 40.9011 175.6813 118 I 4.5134 8.0275 115.2227 59.5017 40.0634 174.8476 119 R 4.7779 8.1823 122.9102 54.4475 32.9829 174.6542 120 L 4.9831 8.7024 121.6339 56.3519 43.4783 173.4684 121 H 3.9698 8.7289 116.7127 57.3119 28.2120 175.3942 122 R 4.6531 7.8378 111.5063 55.9290 29.3729 178.0282 123 I 3.6130 8.1188 121.1688 63.7379 37.4053 176.9191 124 I 3.7988 6.6905 114.2839 60.7188 40.2712 172.5103 125 Y 4.3871 8.7732 126.6133 56.3619 38.2694 175.9836 126 N 4.6900 8.4591 125.8821 52.9659 37.0528 174.7947 127 V 3.8475 7.7383 119.4524 62.1508 32.6013 177.6500 128 I 3.9214 7.5344 121.6837 60.7435 35.8789 170.4042 129 E 3.7042 8.5904 132.8823 55.5433 29.2804 174.8397 130 E 4.2926 8.6201 123.7228 55.4617 28.6508 176.5217 131 I 4.1258 7.9261 126.0320 58.4801 35.6069 174.8422 132 E 5.1778 8.5532 126.4236 57.1581 32.3874 177.3274 133 A 4.0552 8.8788 123.7669 52.6956 16.3189 176.7382 134 A 4.6362 7.3450 121.9967 52.2968 21.7557 178.0140 *135 M 4.2891 8.4989 117.2052 54.8079 32.1453 175.9629 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 N 8.42 4.38 0.00 2.39 2.38 0.00 0.00 6.85 6.70 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 2 E 7.65 3.49 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 2.17 2.43 0.00 3 F 9.57 4.40 0.00 3.03 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 4 E 8.85 3.57 0.00 2.19 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 0.00 2.25 2.42 0.00 5 L 8.30 4.51 0.00 1.62 1.63 0.91 0.85 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 6 G 8.19 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 7 T 8.47 4.29 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 8 R 8.36 4.26 0.00 1.81 1.86 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 9 G 8.26 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 10 S 7.74 4.54 0.00 3.83 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 11 S 8.01 4.83 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.83 4.16 0.00 1.91 2.05 0.00 3.01 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 13 V 6.80 4.35 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 0.69 0.00 0.00 1.01 0.00 0.00 14 D 8.35 4.43 0.00 2.78 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 15 L 8.28 4.39 0.00 1.65 1.69 0.92 0.86 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 16 Q 8.00 4.75 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 17 E 8.45 4.18 0.00 2.05 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 2.28 2.39 0.00 18 Q 8.65 3.65 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 19 R 8.15 3.93 0.00 1.93 1.96 0.00 3.28 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 1.61 1.68 0.00 20 S 8.18 4.14 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.89 3.10 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 0.62 0.00 0.00 0.93 0.00 0.00 22 K 8.30 4.09 0.00 1.95 1.91 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.36 7.81 23 T 7.57 4.50 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 24 R 7.33 4.18 0.00 1.97 2.05 0.00 3.15 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 25 V 7.65 4.29 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 0.91 0.00 0.00 26 S 8.64 4.27 0.00 3.88 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 27 L 7.60 4.58 0.00 1.54 1.51 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.57 4.62 0.00 2.58 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 29 D 7.79 4.42 0.00 2.56 2.43 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 30 L 7.94 3.86 0.00 1.58 1.50 0.89 0.83 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 31 F 8.12 4.69 0.00 3.07 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 32 E 8.91 4.14 0.00 1.94 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 2.28 2.41 0.00 33 Q 8.22 4.13 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 34 I 7.95 4.01 1.87 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 1.29 0.38 0.91 0.00 0.00 35 K 8.01 4.19 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.44 7.81 36 Q 8.62 4.34 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 37 G 7.95 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 0.00 0.00 0.00 38 E 8.14 4.09 0.00 1.97 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 2.32 2.28 0.00 39 M 7.87 4.06 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 40 K 7.97 4.00 0.00 2.00 1.87 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 41 E 8.47 4.92 0.00 1.83 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 2.22 2.27 0.00 42 L 9.18 4.47 0.00 1.72 1.54 0.92 0.46 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 43 N 8.65 5.70 0.00 2.67 2.68 0.00 0.00 7.00 6.74 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 44 L 8.50 4.89 0.00 1.91 1.73 0.94 0.78 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 45 I 8.71 4.92 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.33 1.01 0.00 0.00 46 V 8.45 4.68 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 0.95 0.00 0.00 0.94 0.00 0.00 47 K 8.99 5.40 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.21 7.81 48 A 8.33 5.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.89 4.31 0.00 2.82 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 50 V 7.49 4.18 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 1.06 0.00 0.00 0.93 0.00 0.00 51 Q 8.82 3.93 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.51 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 52 G 7.97 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 0.00 0.00 0.00 53 S 8.01 4.15 0.00 3.83 3.96 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 54 V 7.46 3.61 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 0.92 0.00 0.00 1.01 0.00 0.00 55 E 8.17 4.01 0.00 2.01 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 2.50 0.00 56 A 7.96 3.98 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 57 L 7.71 3.74 0.00 1.77 1.80 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.31 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 0.95 0.00 0.00 1.00 0.00 0.00 59 A 8.33 4.41 1.35 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 60 A 7.41 4.42 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 61 L 7.82 4.08 0.00 2.02 1.72 0.93 0.65 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 62 Q 8.63 4.13 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 63 K 7.17 4.60 0.00 1.81 1.95 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 I 7.20 4.02 2.16 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 1.55 0.81 0.93 0.00 0.00 65 D 8.32 4.89 0.00 2.70 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 66 V 7.73 3.71 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 0.81 0.00 0.00 0.97 0.00 0.00 67 E 8.56 4.03 0.00 1.96 1.90 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 2.31 2.30 0.00 68 G 8.57 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 0.00 0.00 0.00 69 V 8.20 4.05 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 0.85 0.00 0.00 0.93 0.00 0.00 70 R 7.96 4.55 0.00 1.95 1.83 0.00 3.16 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 71 V 8.32 4.89 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 0.87 0.00 0.00 0.94 0.00 0.00 72 K 9.24 4.80 0.00 1.80 1.57 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 73 I 8.30 4.79 1.88 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 1.35 0.64 0.96 0.00 0.00 74 I 8.48 4.45 1.90 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 1.13 0.94 0.92 0.00 0.00 75 H 7.85 4.94 0.00 3.19 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.31 5.28 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.47 4.43 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 78 V 7.79 4.11 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 0.93 0.00 0.00 0.97 0.00 0.00 79 G 7.92 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 0.00 0.00 0.00 80 A 8.43 4.69 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 81 I 8.45 4.09 1.88 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 1.29 0.45 0.92 0.00 0.00 82 T 8.29 5.50 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 1.31 0.00 0.00 83 E 9.23 3.89 0.00 2.05 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 2.39 2.40 0.00 84 S 8.04 4.16 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.19 4.46 0.00 2.93 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 86 I 7.48 3.78 2.06 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 1.53 1.26 0.97 0.00 0.00 87 S 7.69 4.89 0.00 4.16 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 88 L 7.85 4.07 0.00 1.71 1.92 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.69 4.81 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.01 4.43 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 1.27 0.00 0.00 91 A 7.29 4.10 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 92 S 8.54 4.44 0.00 3.89 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 93 N 7.92 4.14 0.00 2.87 2.95 0.00 0.00 6.82 8.67 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 94 A 7.61 5.33 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 95 I 8.29 4.43 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 1.24 0.60 0.91 0.00 0.00 96 V 8.19 4.44 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 0.91 0.00 0.00 0.95 0.00 0.00 97 I 8.55 4.57 1.91 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 1.24 1.24 1.00 0.00 0.00 98 G 8.85 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 0.00 0.00 0.00 0.00 99 F 8.91 4.24 0.00 3.22 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 0.00 100 N 8.50 4.30 0.00 2.75 2.89 0.00 0.00 7.33 7.74 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 0.00 101 V 7.56 3.70 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 0.97 0.00 0.00 102 R 7.98 4.21 0.00 2.06 2.00 0.00 3.02 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 103 P 0.00 5.78 0.00 2.15 2.07 0.00 3.11 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 104 D 8.21 4.58 0.00 2.83 2.63 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 0.00 0.00 0.00 0.00 105 A 8.46 4.05 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 0.00 106 N 8.09 4.61 0.00 2.77 2.81 0.00 0.00 7.12 7.83 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 0.00 107 A 7.88 4.01 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 0.00 108 K 8.43 4.04 0.00 2.01 2.17 0.00 1.20 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.68 7.81 109 R 7.43 3.82 0.00 2.21 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 110 A 8.47 3.97 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 0.00 111 A 8.48 4.00 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 0.00 112 E 7.73 4.04 0.00 2.25 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 2.31 2.29 0.00 113 S 7.75 4.67 0.00 3.87 3.97 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 0.00 114 E 7.41 4.54 0.00 2.29 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 2.20 2.28 0.00 115 K 7.93 3.77 0.00 1.87 1.94 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 116 V 8.12 4.32 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 0.76 0.00 0.00 1.05 0.00 0.00 117 D 8.60 4.78 0.00 2.74 2.63 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 0.00 0.00 0.00 0.00 118 I 8.03 4.51 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 1.33 0.66 0.91 0.00 0.00 119 R 8.18 4.78 0.00 1.72 1.81 0.00 3.14 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 120 L 8.70 4.98 0.00 1.66 1.73 0.93 0.85 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 0.00 121 H 8.73 3.97 0.00 3.38 3.46 0.00 5.86 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 0.00 122 R 7.84 4.65 0.00 2.02 2.08 0.00 3.10 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 123 I 8.12 3.61 1.60 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.38 0.80 0.00 0.00 124 I 6.69 3.80 1.83 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 1.39 0.36 0.82 0.00 0.00 125 Y 8.77 4.39 0.00 2.94 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 0.00 126 N 8.46 4.69 0.00 2.66 2.76 0.00 0.00 7.25 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 0.00 127 V 7.74 3.85 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 0.85 0.00 0.00 0.94 0.00 0.00 128 I 7.53 3.92 1.88 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 1.42 0.57 0.92 0.00 0.00 129 E 8.59 3.70 0.00 2.13 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 2.20 2.32 0.00 130 E 8.62 4.29 0.00 1.94 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 2.29 2.39 0.00 131 I 7.93 4.13 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 1.57 0.74 0.91 0.00 0.00 132 E 8.55 5.18 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 133 A 8.88 4.06 1.35 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 0.00 134 A 7.35 4.64 1.18 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 *135 M 8.50 4.29 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.