NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2563 8.4449 116.7476 55.3409 32.7469 175.7199 3 F 4.7420 7.6872 115.2880 55.0886 39.6152 173.9115 4 K 3.8936 8.4783 130.6537 60.0332 33.0343 179.2303 5 K 4.2459 8.0998 119.8758 58.5212 32.0718 178.6279 6 V 3.7966 7.8113 117.9267 65.3117 31.6758 177.5246 7 A 4.0594 8.0964 123.1538 55.5583 18.1844 180.2445 8 K 3.9087 8.2088 122.1676 60.2490 31.8846 180.9914 9 E 4.1792 7.7837 119.1571 59.5417 29.3562 179.8265 10 T 3.9357 8.2336 115.9065 66.4214 68.5121 176.8681 11 A 4.0843 8.5131 123.1795 55.0276 18.2136 179.7791 12 I 3.8011 7.9410 118.7508 64.6211 37.1017 178.7206 13 T 3.9062 7.9076 116.7193 66.5340 68.2537 176.4927 14 L 4.0487 8.0508 122.3022 58.1850 42.1836 178.8009 15 Q 3.9854 8.0191 119.2567 59.1780 28.9558 178.2368 16 S 4.1127 7.9318 114.4291 61.5319 62.4977 175.5257 17 Y 4.2264 8.4170 122.7088 60.6055 38.5509 177.7964 18 L 4.0327 8.3442 120.2157 57.7091 41.6960 179.4264 19 T 3.8153 7.8344 115.7500 66.6765 68.3955 175.7663 20 Y 3.9462 7.8255 121.2827 60.9013 38.7987 178.1983 21 Q 3.3332 7.7199 119.8182 58.5063 29.0113 177.9658 22 A 3.9055 7.7577 122.2634 54.9550 18.4058 179.7308 23 V 3.5167 7.7196 116.8361 66.0175 31.5911 178.1900 24 R 3.7590 7.6662 118.4488 59.3030 29.8332 178.5680 25 L 3.9209 7.5712 118.2953 57.9398 41.5669 179.6067 26 I 3.7410 7.7519 119.7836 64.2241 36.9624 178.4279 27 S 4.1016 8.5243 114.5555 61.4270 61.9897 176.2837 28 Q 3.9601 8.0090 120.6115 59.0128 28.4923 178.5005 29 Q 4.0541 7.9442 118.9965 59.3457 28.7915 179.4425 30 L 4.0717 8.2557 120.0793 57.7134 41.3651 179.7803 31 S 4.2013 7.8446 113.7000 61.3003 62.9288 176.2867 32 E 4.0899 7.8183 121.3832 59.2264 29.3949 178.5390 33 T 4.4660 7.5500 112.8375 63.7444 71.2660 175.0971 34 N 4.9472 8.3065 118.3232 50.9983 40.8153 172.9915 35 P 4.4414 0.0000 0.0000 65.7522 31.8271 178.7257 36 G 3.6964 8.1352 105.2055 47.8426 0.0000 175.0446 37 Q 4.2279 8.4168 120.9107 58.0370 29.0864 177.8765 38 A 4.1515 7.8875 121.7977 55.0623 18.7415 179.2686 39 I 3.6513 7.8939 118.3677 64.4898 37.3012 178.3549 40 W 4.2218 8.2828 129.0119 60.5194 30.5916 177.7356 41 L 3.2823 8.2589 119.9999 57.6852 41.1767 179.0967 42 G 3.6605 8.1140 106.0319 47.5837 0.0000 175.0990 43 E 4.2428 7.9897 118.7875 57.9292 30.1722 178.4426 44 F 3.7693 7.7618 122.0677 61.0508 39.0280 176.9237 45 S 4.5251 7.6719 113.2676 60.6899 62.8785 176.1433 46 K 4.1420 7.4756 118.8375 58.3481 31.9211 178.5700 47 R 4.2862 7.2845 117.2338 56.0897 30.5679 176.1763 48 H 4.6898 7.3429 115.1730 52.9067 31.4655 171.2460 49 P 4.5175 0.0000 0.0000 62.2616 32.0379 177.2258 50 I 3.5386 8.3243 122.5147 63.0636 38.2779 176.7546 51 Q 4.1468 7.9807 116.9196 58.1606 28.9404 176.9865 52 E 4.4561 7.6817 120.2216 54.5382 28.3705 176.4016 53 S 4.1945 8.1914 118.6928 61.6812 63.4845 176.4260 54 D 4.4269 8.1246 122.5674 56.8742 40.6528 178.6593 55 L 4.0922 8.0054 118.9475 57.7674 41.3923 178.7785 56 Y 4.0701 8.0029 118.7030 60.9489 38.9235 177.9748 57 L 4.2761 8.1863 118.3835 57.8154 41.7422 179.1670 58 E 4.3533 8.2096 117.8694 58.3714 30.2132 178.1402 59 A 4.1933 7.7245 121.5899 51.8570 17.0939 177.0173 *62 L 4.3302 7.9955 121.2117 54.4898 44.1284 177.6266 63 E 4.5284 8.3043 115.4115 57.5066 31.5971 176.2327 64 N 4.7300 7.5114 117.5086 50.3125 39.1919 173.9400 65 K 3.9052 8.3772 122.8407 59.1590 32.3921 177.8294 66 E 3.9255 8.0741 118.9050 59.1315 29.5631 178.4776 67 L 4.0101 8.0937 120.4522 57.7126 42.1036 179.0013 68 V 3.6158 7.4544 117.3679 66.0767 31.4860 178.0534 69 L 4.0035 7.5941 117.9024 57.7149 41.4133 179.4912 70 R 3.8889 8.0065 118.7062 59.4376 29.9416 178.5738 71 I 3.7126 8.1620 119.9994 64.4684 36.8311 178.3075 72 L 4.0005 8.0826 119.7244 58.1207 41.4424 179.9014 73 T 3.9068 7.9451 115.5724 66.7007 68.3977 177.1532 74 V 3.6213 7.9590 120.4932 65.8634 31.5263 178.2052 75 R 3.9107 8.3374 116.2990 59.1688 29.1479 178.5911 76 E 3.9388 7.9745 119.8167 58.9569 29.4374 178.2782 77 N 4.2840 7.8473 115.4414 56.4471 39.0294 176.6879 78 L 4.1199 8.2091 120.2925 58.0519 41.7963 179.5674 79 A 4.0512 7.9842 120.2725 55.3515 18.1628 179.3053 80 E 4.2428 8.2383 115.0169 58.1933 29.7232 178.6192 81 G 3.9808 7.7595 104.0439 45.3865 0.0000 175.0463 82 V 4.4178 7.6305 118.9582 64.0688 33.1986 177.0591 83 L 4.0966 8.6176 119.0410 58.0347 41.2898 180.4778 84 E 3.4654 7.0254 118.4426 58.9871 30.2821 178.4243 85 F 4.4269 7.8365 115.8643 59.5945 39.5059 178.0250 86 L 4.3583 8.2096 120.8126 57.4242 42.0582 177.0211 87 P 4.3320 0.0000 0.0000 66.4283 31.6014 179.3375 88 E 3.9106 7.6362 110.2452 57.2778 29.4291 180.3759 *90 V 4.0223 7.8589 120.1348 63.9417 33.4654 177.0701 91 L 3.9088 7.7990 120.6532 58.4241 41.7691 178.7471 92 S 4.0978 8.1171 112.6900 61.8219 62.2577 176.3240 93 Q 4.0422 8.0172 119.9793 58.7482 28.5196 178.5046 94 I 3.6702 8.0221 121.2296 64.2806 37.1548 178.4030 95 K 3.9586 8.1965 121.7339 60.2928 31.8959 180.0306 96 Q 3.9825 8.0728 120.7475 60.2646 28.0568 180.3342 97 S 4.1967 8.4519 115.9091 61.0073 62.4076 175.8254 98 N 4.2726 8.7125 119.6978 56.4934 38.2650 176.9761 99 G 3.8511 7.9088 106.6438 48.5756 0.0000 175.1752 100 N 4.3441 8.2669 119.0994 56.0634 38.4070 177.3865 101 H 4.3922 7.9828 116.6699 59.0127 29.0285 177.4395 102 R 3.9974 8.2816 120.3548 58.8092 29.7471 178.8353 103 R 3.9083 8.4931 118.0819 59.5531 29.8770 178.3052 104 S 4.4226 7.8390 110.9986 59.1568 62.3541 175.5749 105 L 4.0955 7.9199 122.7531 58.2644 42.0942 178.2131 106 L 4.1349 7.8447 117.3230 58.5674 41.8340 178.3828 107 E 3.7497 7.9169 117.7043 61.2458 29.4804 178.3266 108 R 4.1305 7.9314 121.5365 56.6380 29.4493 178.6826 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 2 E 8.44 4.26 0.00 2.01 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 2.13 1.91 0.00 3 F 7.69 4.74 0.00 3.19 2.88 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 4 K 8.48 3.89 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.09 7.81 5 K 8.10 4.25 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 6 V 7.81 3.80 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 1.03 0.00 0.00 0.88 0.00 0.00 7 A 8.10 4.06 1.40 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 0.00 0.00 0.00 8 K 8.21 3.91 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 9 E 7.78 4.18 0.00 2.13 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 2.45 0.00 10 T 8.23 3.94 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 1.20 0.00 0.00 11 A 8.51 4.08 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 12 I 7.94 3.80 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 1.54 0.99 0.93 0.00 0.00 13 T 7.91 3.91 4.41 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 1.19 0.00 0.00 14 L 8.05 4.05 0.00 2.03 1.71 0.94 0.56 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 15 Q 8.02 3.99 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 16 S 7.93 4.11 0.00 4.12 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 17 Y 8.42 4.23 0.00 3.22 3.15 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 0.00 0.00 0.00 18 L 8.34 4.03 0.00 1.77 1.71 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.83 3.82 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 1.15 0.00 0.00 20 Y 7.83 3.95 0.00 2.87 2.88 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 21 Q 7.72 3.33 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 22 A 7.76 3.91 1.38 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 0.00 0.00 23 V 7.72 3.52 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 1.03 0.00 0.00 0.98 0.00 0.00 24 R 7.67 3.76 0.00 1.40 1.66 0.00 2.88 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 25 L 7.57 3.92 0.00 1.81 1.65 0.87 1.14 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 26 I 7.75 3.74 2.05 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 1.40 0.77 0.94 0.00 0.00 27 S 8.52 4.10 0.00 3.90 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 28 Q 8.01 3.96 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 29 Q 7.94 4.05 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 30 L 8.26 4.07 0.00 1.88 1.76 1.01 1.11 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 31 S 7.84 4.20 0.00 4.05 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 32 E 7.82 4.09 0.00 2.13 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 2.34 2.35 0.00 33 T 7.55 4.47 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 34 N 8.31 4.95 0.00 2.72 2.64 0.00 0.00 6.77 7.25 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 35 P 0.00 4.44 0.00 2.32 2.31 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 36 G 8.14 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.42 4.23 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 38 A 7.89 4.15 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 39 I 7.89 3.65 2.09 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 1.70 1.24 0.97 0.00 0.00 40 W 8.28 4.22 0.00 3.46 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 41 L 8.26 3.28 0.00 2.18 1.88 0.86 1.22 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 42 G 8.11 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.99 4.24 0.00 2.25 2.19 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 2.25 2.24 0.00 44 F 7.76 3.77 0.00 2.08 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 45 S 7.67 4.53 0.00 4.02 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 46 K 7.48 4.14 0.00 1.85 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 47 R 7.28 4.29 0.00 1.60 1.69 0.00 3.07 0.00 0.00 3.46 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 H 7.34 4.69 0.00 2.61 3.02 0.00 5.65 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.52 0.00 2.22 2.17 0.00 3.73 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 2.10 1.94 0.00 50 I 8.32 3.54 1.58 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.47 0.82 0.00 0.00 51 Q 7.98 4.15 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.15 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 52 E 7.68 4.46 0.00 2.15 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 2.30 2.30 0.00 53 S 8.19 4.19 0.00 4.03 4.14 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 54 D 8.12 4.43 0.00 2.76 2.81 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 55 L 8.01 4.09 0.00 1.97 1.80 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.00 4.07 0.00 3.07 3.23 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 0.00 57 L 8.19 4.28 0.00 1.78 1.82 1.00 1.00 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 58 E 8.21 4.35 0.00 2.23 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 2.39 2.48 0.00 59 A 7.72 4.19 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.33 0.00 1.96 1.84 0.95 0.97 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 63 E 8.30 4.53 0.00 2.15 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 2.35 2.43 0.00 64 N 7.51 4.73 0.00 1.87 2.34 0.00 0.00 7.15 6.63 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 65 K 8.38 3.91 0.00 1.79 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.48 7.81 66 E 8.07 3.93 0.00 1.97 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 2.33 0.00 67 L 8.09 4.01 0.00 1.92 1.67 1.09 0.91 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 68 V 7.45 3.62 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 1.01 0.00 0.00 1.01 0.00 0.00 69 L 7.59 4.00 0.00 1.90 1.70 0.91 0.80 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 70 R 8.01 3.89 0.00 1.94 2.17 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 71 I 8.16 3.71 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.95 0.00 0.00 72 L 8.08 4.00 0.00 1.85 1.74 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.95 3.91 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 1.21 0.00 0.00 74 V 7.96 3.62 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 1.11 0.00 0.00 0.98 0.00 0.00 75 R 8.34 3.91 0.00 2.05 2.39 0.00 2.97 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 76 E 7.97 3.94 0.00 2.06 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 2.32 2.36 0.00 77 N 7.85 4.28 0.00 2.91 2.88 0.00 0.00 7.07 7.87 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 78 L 8.21 4.12 0.00 1.94 1.75 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.98 4.05 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 80 E 8.24 4.24 0.00 2.00 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 2.36 2.55 0.00 81 G 7.76 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 0.00 0.00 0.00 82 V 7.63 4.42 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 1.19 0.00 0.00 0.98 0.00 0.00 83 L 8.62 4.10 0.00 1.82 1.68 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.03 3.47 0.00 1.76 1.22 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 1.65 2.12 0.00 85 F 7.84 4.43 0.00 3.48 3.11 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 0.00 0.00 0.00 86 L 8.21 4.36 0.00 1.81 1.78 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.33 0.00 2.17 2.09 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 88 E 7.64 3.91 0.00 2.06 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 2.25 2.13 0.00 *90 V 7.86 4.02 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 0.96 0.00 0.00 0.96 0.00 0.00 91 L 7.80 3.91 0.00 1.87 1.77 0.92 0.77 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 92 S 8.12 4.10 0.00 3.96 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 93 Q 8.02 4.04 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 94 I 8.02 3.67 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.88 0.00 0.00 95 K 8.20 3.96 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 96 Q 8.07 3.98 0.00 2.08 2.11 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 2.29 2.24 0.00 97 S 8.45 4.20 0.00 3.86 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 98 N 8.71 4.27 0.00 2.89 2.83 0.00 0.00 6.88 7.44 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 99 G 7.91 3.85 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 0.00 0.00 0.00 100 N 8.27 4.34 0.00 2.84 2.92 0.00 0.00 7.18 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 0.00 101 H 7.98 4.39 0.00 3.12 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.28 4.00 0.00 2.13 1.91 0.00 3.27 0.00 0.00 3.16 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 103 R 8.49 3.91 0.00 1.94 2.02 0.00 3.11 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 104 S 7.84 4.42 0.00 3.84 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 0.00 105 L 7.92 4.10 0.00 1.87 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.84 4.13 0.00 1.66 1.71 0.92 0.88 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 0.00 107 E 7.92 3.75 0.00 1.94 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 2.36 2.43 0.00 108 R 7.93 4.13 0.00 1.87 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.