NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5732 8.3149 120.0857 56.3830 33.6274 174.6762 6 I 4.5051 9.2479 125.1808 58.5942 41.5128 169.0054 7 V 4.8783 9.0961 125.4083 61.3017 34.2311 173.8629 8 L 5.1288 8.6777 127.6926 53.0364 44.3795 175.7473 9 K 4.6113 8.8002 125.0462 55.0688 33.5477 176.9925 10 S 4.6075 8.4811 119.7380 57.3947 64.1525 174.3021 11 S 4.6485 8.5675 113.7252 58.5542 61.4736 173.9115 12 D 4.5901 7.8845 117.5300 52.4550 39.2528 174.5988 13 G 3.8798 8.4202 111.0682 47.6823 0.0000 173.5222 14 E 4.8769 8.0496 121.8869 54.6037 32.4103 174.1264 15 S 4.3684 8.4644 118.0112 59.2047 64.4050 173.7852 16 F 4.5686 8.7980 121.7301 55.5069 42.1796 173.9653 17 E 4.3721 8.9495 126.0659 55.9290 29.7937 176.0115 18 V 4.6948 8.7147 119.9615 59.3483 36.4313 175.7048 19 E 4.3670 8.6831 122.1116 55.8058 30.0012 176.7517 20 E 3.8203 8.5006 119.0754 60.4955 29.1659 178.8077 21 A 4.1756 7.7169 121.5450 54.2764 18.8882 179.4162 22 V 3.6421 7.6729 116.8459 66.0498 31.9014 177.7787 23 A 4.1132 7.8512 119.5597 54.1820 18.0117 178.5455 24 L 4.3771 7.1488 114.3647 55.5331 42.0143 177.7808 25 E 3.9457 7.7765 119.4113 58.8700 29.7501 177.0043 26 S 4.3903 7.6941 113.1140 57.1649 61.8727 174.4411 27 Q 4.2519 8.6125 127.1339 57.8343 28.7057 178.6185 28 T 4.0686 7.6351 114.9301 65.7738 68.9038 176.2227 29 I 3.9271 7.4834 120.0899 63.1298 38.0399 177.2737 30 A 4.0518 8.3502 124.1455 55.7742 18.2365 179.2205 31 H 4.4511 7.8924 107.9250 56.9433 28.2098 175.7579 32 M 4.8110 7.8979 117.4617 55.4236 32.9157 176.4151 33 V 4.2956 7.9210 109.0840 61.7505 31.3585 176.5561 34 E 4.2762 7.3887 119.7942 58.4013 30.3988 177.3945 35 D 4.6447 7.7956 119.0341 53.7792 39.2189 175.0111 36 D 4.9927 7.8007 121.5206 54.6751 38.7477 176.7043 37 C 4.5119 8.6878 122.7402 60.8272 28.4263 175.9535 38 V 3.7530 7.4410 120.0249 64.9702 31.3977 177.4847 39 D 4.3870 8.2873 118.8275 57.6546 40.6230 177.3237 40 N 4.8068 7.8718 113.5153 52.5520 38.9067 173.3307 41 G 4.0661 8.1576 110.3617 44.7502 0.0000 174.6262 42 V 3.8644 8.2309 122.1286 60.8236 32.4091 173.3934 43 P 4.9763 0.0000 0.0000 61.9021 32.2198 176.0917 44 L 4.8119 8.8821 125.4091 53.0528 41.9059 174.1577 45 P 4.9940 0.0000 0.0000 63.3953 31.5946 176.6376 46 N 4.6404 8.1615 113.1287 53.1209 39.2810 174.1053 47 V 4.2783 7.2286 119.3830 60.5719 33.4486 174.9475 48 T 4.2167 8.4464 121.2535 62.5570 69.0505 174.4189 49 S 4.1118 8.8094 121.1073 61.4029 62.1906 176.0944 50 K 3.9039 8.2566 121.9012 59.8111 31.6358 178.5558 51 I 3.7779 7.5261 119.1573 64.3427 37.2883 177.5958 52 L 3.7837 8.0352 121.1039 58.2459 41.6542 178.6743 53 A 3.9638 7.8954 120.3167 55.4873 18.2434 179.7522 54 K 4.1476 7.8282 115.3252 59.5740 32.0807 179.8990 55 V 3.7289 8.0464 118.6873 66.2193 31.5571 178.1832 56 I 3.7486 7.9900 119.7431 64.2763 36.7646 177.8570 57 E 4.0229 8.3742 120.2830 59.5030 29.4410 178.4115 58 Y 3.8879 7.8678 119.2825 60.9419 38.9174 177.6389 59 C 3.9524 8.1695 117.6581 62.6210 28.0858 175.5420 60 K 3.6882 8.4884 121.4011 60.1269 31.4366 178.5610 61 R 3.4836 7.2655 117.4401 59.5012 29.9261 178.0091 62 H 4.0078 7.5464 115.3736 58.4578 28.8685 177.5706 63 V 3.6913 7.8055 120.2122 65.4932 31.3999 177.0741 64 E 4.2899 7.7007 118.5759 56.7666 28.7040 176.9812 65 A 4.6456 7.8149 118.3034 51.9769 19.6348 178.7390 66 A 4.0994 7.9904 121.7363 56.5402 19.5606 180.8166 67 A 4.4168 7.3110 119.0061 51.7007 17.8666 179.3470 *80 D 4.6514 8.7157 114.9438 56.2589 42.6404 177.2507 81 D 4.3190 8.1285 118.2712 57.3134 41.6239 177.0901 82 D 4.7104 7.9802 116.1888 55.0306 41.7818 178.2398 83 L 4.0660 7.7456 120.9467 57.7617 41.9350 179.1330 84 K 4.2745 8.2490 117.4366 59.5768 31.8559 178.5575 85 A 4.0521 7.6094 118.4375 54.7057 18.3502 179.1613 86 W 4.2095 8.4444 125.2271 60.6639 30.7382 177.8923 87 D 4.5231 9.0593 118.7737 57.6035 40.1540 178.4500 88 A 4.0080 7.8986 119.9304 55.7148 18.4131 179.0240 89 D 4.3173 8.1692 116.0094 57.0870 41.0282 178.1194 90 F 3.9792 8.1677 120.8444 60.6219 39.3662 176.1440 91 M 4.0752 7.3280 116.1438 55.1794 33.5219 177.3109 92 K 4.2695 7.1637 118.8313 56.4156 29.6060 175.1314 93 I 4.5384 6.8209 113.2250 57.7442 41.4756 176.2238 94 D 4.4530 8.0586 120.2544 52.9734 41.2677 176.6547 95 Q 3.3794 8.4010 118.9496 59.2634 28.7237 179.0923 96 A 3.7964 7.7082 120.5547 55.8375 18.3880 179.7765 97 T 3.7286 7.6888 113.2442 66.5355 68.5592 176.3145 98 L 3.8352 7.6072 122.3387 58.3868 41.9964 179.1662 99 F 4.5404 7.9977 117.6515 60.8677 38.8415 177.4966 100 E 4.0636 8.1785 117.5333 59.2608 29.1342 179.6227 101 L 4.0385 7.7503 118.7976 57.6073 41.7776 179.1862 102 I 3.6680 7.5952 119.4203 64.5886 37.2268 178.1492 103 L 3.9698 8.0823 119.3741 58.1078 41.4023 179.8061 104 A 4.0800 7.8722 119.7769 55.2344 18.2980 179.5718 105 A 3.9939 8.5125 119.7435 55.2794 18.1659 179.2632 106 N 4.3632 8.2004 114.7762 56.4117 39.0814 176.3913 107 Y 4.3966 7.7267 120.4353 62.2578 39.4725 175.7900 108 L 4.1643 8.2523 120.6762 54.4819 43.7791 176.0301 109 N 4.9940 8.2519 112.3316 52.4939 39.0044 177.8686 110 I 4.2415 7.6786 121.8856 59.8199 37.4181 176.1387 111 K 4.0192 8.3610 126.8396 59.2220 32.0871 177.9145 112 N 4.3906 8.2030 116.0153 55.4231 37.5315 176.1622 113 L 3.9820 7.8127 121.8923 56.6761 42.4645 178.0626 114 L 4.0370 7.7839 121.9820 57.4420 42.0831 178.2587 115 D 4.5484 8.1576 117.2758 56.0560 41.3843 177.3512 116 L 4.5423 7.5627 120.2384 56.7579 43.2168 177.9993 117 T 3.8375 8.0521 109.9567 65.0957 68.8462 175.9717 118 C 4.0437 7.8962 120.3491 62.5010 28.4193 176.2370 119 Q 4.2994 7.5538 118.4176 59.2442 28.2668 178.5524 120 T 3.9924 7.6902 116.4233 66.3780 68.8303 176.7372 121 V 3.8839 7.8109 119.5162 66.0647 31.7060 177.6501 122 A 4.0697 8.5896 120.8795 55.5062 17.9230 179.3465 123 D 4.3767 7.8429 115.9572 57.4785 40.9107 178.5234 124 M 4.2587 7.8827 118.8803 57.9401 32.1949 178.5618 125 I 4.2955 7.6731 119.6467 63.2178 37.6363 174.6991 126 K 4.0977 7.7577 123.2586 60.6585 31.5583 175.7430 127 G 3.9760 8.7876 112.8915 45.6726 0.0000 173.1372 128 K 4.5196 8.6316 119.0377 55.4306 33.1849 176.6873 129 T 4.5681 8.0893 110.6761 59.7395 72.2788 173.6249 130 P 4.3209 0.0000 0.0000 65.9250 31.1493 178.5464 131 E 3.9119 8.1314 117.3218 59.4707 29.6923 178.1927 132 E 3.9320 7.8888 118.2989 60.3732 29.3115 179.1928 133 I 4.0008 8.2101 119.5687 64.3042 37.5398 178.0585 134 R 4.2554 8.4001 116.2675 58.6669 29.5484 178.7216 135 T 3.9718 8.3163 118.4124 66.7622 68.2820 176.6167 136 T 4.3570 7.7908 110.1654 61.7752 69.6988 175.3458 137 F 4.7082 8.3528 116.8374 57.7549 44.7311 173.8171 138 N 4.1961 8.1484 117.9233 54.3110 36.3981 172.1368 139 I 4.5322 8.5582 118.8910 58.6111 40.3378 175.9583 140 K 4.0183 8.5738 125.2079 56.1775 33.0715 176.1418 141 N 4.3439 8.7699 122.8480 53.7771 38.2975 173.4673 142 D 4.8169 8.1211 125.5999 52.9365 39.9613 176.1308 143 F 4.8534 8.5413 120.2423 57.5320 39.5086 176.6337 144 T 4.1011 8.6106 116.7172 61.3375 70.5314 173.6238 145 P 4.2721 0.0000 0.0000 65.6398 31.2785 178.9975 146 E 3.9230 8.0940 117.1433 59.4240 29.4169 178.6599 147 E 3.8697 7.9074 118.4259 59.5028 29.5821 178.7504 148 E 3.1869 8.0760 118.9153 59.2989 29.4844 178.8306 149 E 3.6776 8.0061 118.8114 59.1152 29.7473 178.1201 150 E 3.8698 8.1660 119.6032 59.3075 29.6094 178.7745 151 V 3.4405 7.7995 118.3824 66.0146 31.5882 177.7594 152 R 3.6856 8.0189 118.5228 59.4890 29.7889 178.2403 153 R 2.9050 8.2109 118.5832 59.1517 30.0300 178.4602 154 E 3.6865 8.2765 118.2374 59.8725 29.3687 179.4091 155 N 4.3738 8.2046 114.8838 55.8096 38.6666 176.4639 156 Q 4.5271 7.6126 116.4228 55.6753 30.2380 176.8355 157 W 4.8288 8.2809 118.7828 56.9819 30.6397 175.7617 158 A 4.2758 7.7420 117.6608 53.0571 20.2028 176.5963 159 F 4.9077 7.5580 119.9193 59.8613 39.0641 175.9550 160 E 4.5717 9.1562 125.5634 56.1823 29.9798 175.7508 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 5 K 8.31 4.57 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.25 4.51 1.89 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 1.12 1.07 0.92 0.00 0.00 7 V 9.10 4.88 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.68 5.13 0.00 1.73 1.58 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.80 4.61 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.48 4.61 0.00 4.03 4.15 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 11 S 8.57 4.65 0.00 3.98 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 12 D 7.88 4.59 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.42 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 0.00 0.00 0.00 14 E 8.05 4.88 0.00 2.02 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 2.32 2.50 0.00 15 S 8.46 4.37 0.00 3.72 3.84 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 16 F 8.80 4.57 0.00 3.13 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 17 E 8.95 4.37 0.00 1.97 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 2.30 2.42 0.00 18 V 8.71 4.69 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 0.88 0.00 0.00 1.00 0.00 0.00 19 E 8.68 4.37 0.00 2.07 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 2.39 2.36 0.00 20 E 8.50 3.82 0.00 2.07 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 2.37 2.45 0.00 21 A 7.72 4.18 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 22 V 7.67 3.64 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.85 4.11 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 24 L 7.15 4.38 0.00 1.82 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.78 3.95 0.00 2.03 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 2.33 2.38 0.00 26 S 7.69 4.39 0.00 3.89 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 27 Q 8.61 4.25 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.64 4.07 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 1.01 0.00 0.00 29 I 7.48 3.93 2.03 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 1.28 0.42 0.89 0.00 0.00 30 A 8.35 4.05 1.29 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 0.00 0.00 31 H 7.89 4.45 0.00 3.20 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.90 4.81 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 33 V 7.92 4.30 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 0.80 0.00 0.00 0.95 0.00 0.00 34 E 7.39 4.28 0.00 1.96 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 2.26 2.23 0.00 35 D 7.80 4.64 0.00 2.90 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 36 D 7.80 4.99 0.00 2.92 2.91 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 37 C 8.69 4.51 0.00 2.98 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 38 V 7.44 3.75 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 1.05 0.00 0.00 0.93 0.00 0.00 39 D 8.29 4.39 0.00 2.69 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 40 N 7.87 4.81 0.00 2.66 2.81 0.00 0.00 7.11 8.66 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 41 G 8.16 4.07 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 0.00 0.00 0.00 42 V 8.23 3.86 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 0.92 0.00 0.00 43 P 0.00 4.98 0.00 2.12 2.14 0.00 3.46 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 44 L 8.88 4.81 0.00 2.03 1.84 0.99 0.70 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 45 P 0.00 4.99 0.00 2.20 2.20 0.00 3.60 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 2.00 2.15 0.00 46 N 8.16 4.64 0.00 1.44 2.03 0.00 0.00 6.81 7.68 0.00 0.00 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 V 7.23 4.28 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 0.99 0.00 0.00 1.18 0.00 0.00 48 T 8.45 4.22 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 1.27 0.00 0.00 49 S 8.81 4.11 0.00 4.43 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 50 K 8.26 3.90 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.53 3.78 2.02 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 1.53 0.71 0.93 0.00 0.00 52 L 8.04 3.78 0.00 1.69 1.59 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.90 3.96 1.58 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 0.00 0.00 54 K 7.83 4.15 0.00 2.08 2.07 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.51 7.81 55 V 8.05 3.73 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 1.09 0.00 0.00 1.05 0.00 0.00 56 I 7.99 3.75 1.92 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 1.36 0.60 0.96 0.00 0.00 57 E 8.37 4.02 0.00 2.25 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 2.79 2.61 0.00 58 Y 7.87 3.89 0.00 2.60 3.08 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 59 C 8.17 3.95 0.00 3.04 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 60 K 8.49 3.69 0.00 1.94 1.90 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.27 3.48 0.00 0.82 1.20 0.00 2.74 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 62 H 7.55 4.01 0.00 2.82 3.14 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.81 3.69 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 1.06 0.00 0.00 0.98 0.00 0.00 64 E 7.70 4.29 0.00 1.95 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 2.24 2.26 0.00 65 A 7.81 4.65 1.17 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 66 A 7.99 4.10 1.25 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 0.00 0.00 67 A 7.31 4.42 1.08 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 *80 D 8.72 4.65 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 81 D 8.13 4.32 0.00 2.76 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 82 D 7.98 4.71 0.00 2.75 2.70 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 83 L 7.75 4.07 0.00 1.77 1.71 0.71 0.65 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 84 K 8.25 4.27 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.61 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.44 4.21 0.00 3.53 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 87 D 9.06 4.52 0.00 3.07 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 88 A 7.90 4.01 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 89 D 8.17 4.32 0.00 2.86 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 90 F 8.17 3.98 0.00 2.00 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 91 M 7.33 4.08 0.00 1.90 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 2.85 0.00 92 K 7.16 4.27 0.00 1.68 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 93 I 6.82 4.54 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.62 0.00 0.00 94 D 8.06 4.45 0.00 2.76 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 95 Q 8.40 3.38 0.00 1.80 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 96 A 7.71 3.80 1.25 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 0.00 0.00 97 T 7.69 3.73 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 1.08 0.00 0.00 98 L 7.61 3.84 0.00 1.55 1.52 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.00 4.54 0.00 3.07 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 0.00 100 E 8.18 4.06 0.00 2.18 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 2.50 2.51 0.00 101 L 7.75 4.04 0.00 1.96 1.70 0.79 0.73 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 0.00 102 I 7.60 3.67 2.08 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 1.56 1.05 0.92 0.00 0.00 103 L 8.08 3.97 0.00 1.87 1.75 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.87 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 3.99 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 0.00 106 N 8.20 4.36 0.00 2.86 3.01 0.00 0.00 7.18 7.08 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 0.00 107 Y 7.73 4.40 0.00 3.01 3.18 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 0.00 108 L 8.25 4.16 0.00 1.64 1.55 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.25 4.99 0.00 2.59 2.73 0.00 0.00 6.78 7.94 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 0.00 110 I 7.68 4.24 1.91 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 1.44 0.82 1.03 0.00 0.00 111 K 8.36 4.02 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.59 7.81 112 N 8.20 4.39 0.00 3.05 3.02 0.00 0.00 5.93 7.79 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 0.00 113 L 7.81 3.98 0.00 1.68 1.81 -0.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.78 4.04 0.00 1.83 1.64 0.99 1.11 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 0.00 115 D 8.16 4.55 0.00 2.81 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 0.00 116 L 7.56 4.54 0.00 1.85 1.71 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.05 3.84 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 118 C 7.90 4.04 0.00 3.15 3.05 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 0.00 0.00 0.00 119 Q 7.55 4.30 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.69 3.99 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 1.22 0.00 0.00 121 V 7.81 3.88 2.30 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 1.19 0.00 0.00 1.20 0.00 0.00 122 A 8.59 4.07 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 0.00 123 D 7.84 4.38 0.00 2.91 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 0.00 124 M 7.88 4.26 0.00 2.04 2.49 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 125 I 7.67 4.30 2.01 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 1.90 0.85 0.96 0.00 0.00 126 K 7.76 4.10 0.00 1.77 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 127 G 8.79 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 0.00 128 K 8.63 4.52 0.00 1.76 1.80 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.29 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.65 7.81 129 T 8.09 4.57 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 1.27 0.00 0.00 130 P 0.00 4.32 0.00 2.21 2.22 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.13 3.91 0.00 2.10 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 2.39 2.47 0.00 132 E 7.89 3.93 0.00 2.30 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 2.35 2.41 0.00 133 I 8.21 4.00 2.12 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 1.86 0.79 1.03 0.00 0.00 134 R 8.40 4.26 0.00 2.27 2.22 0.00 2.94 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 135 T 8.32 3.97 4.44 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 1.20 0.00 0.00 136 T 7.79 4.36 4.05 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 0.00 0.00 1.28 0.00 0.00 137 F 8.35 4.71 0.00 3.21 3.05 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 0.00 0.00 0.00 138 N 8.15 4.20 0.00 2.82 2.86 0.00 0.00 6.82 7.94 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 0.00 139 I 8.56 4.53 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.86 0.00 0.00 140 K 8.57 4.02 0.00 1.84 1.82 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.77 4.34 0.00 2.73 2.83 0.00 0.00 7.09 8.47 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 0.00 142 D 8.12 4.82 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.54 4.85 0.00 3.25 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 0.00 144 T 8.61 4.10 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 145 P 0.00 4.27 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 8.09 3.92 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 2.40 2.45 0.00 147 E 7.91 3.87 0.00 2.21 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 2.38 2.38 0.00 148 E 8.08 3.19 0.00 1.88 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 2.16 2.06 0.00 149 E 8.01 3.68 0.00 2.18 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 2.12 2.20 0.00 150 E 8.17 3.87 0.00 2.14 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 2.26 2.30 0.00 151 V 7.80 3.44 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 0.88 0.00 0.00 0.75 0.00 0.00 152 R 8.02 3.69 0.00 1.80 1.84 0.00 3.02 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 1.40 1.53 0.00 153 R 8.21 2.91 0.00 1.80 1.63 0.00 2.66 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 154 E 8.28 3.69 0.00 2.10 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 2.28 2.47 0.00 155 N 8.20 4.37 0.00 2.80 2.86 0.00 0.00 7.01 7.23 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 0.00 156 Q 7.61 4.53 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 8.28 4.83 0.00 3.36 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 0.00 158 A 7.74 4.28 0.40 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 0.00 159 F 7.56 4.91 0.00 3.10 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 0.00 160 E 9.16 4.57 0.00 2.07 2.18 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 2.14 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.