NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4509 8.3349 116.7976 58.1852 64.3563 172.4002 23 L 4.4449 8.1481 121.1419 52.5440 42.5293 176.4032 24 S 4.5229 10.3651 120.0177 57.2311 66.3535 173.2957 25 P 4.2777 0.0000 0.0000 66.0258 30.9957 178.7984 26 Q 3.9811 7.9975 117.7440 59.0491 29.1288 177.6549 27 E 3.8749 8.2224 119.6593 59.5941 29.5828 179.4813 28 L 4.4135 8.1921 118.7140 57.8060 41.7111 179.3892 29 A 4.1145 8.6326 121.5457 55.0072 18.2682 179.7217 30 S 4.1655 8.0214 112.8417 61.1966 63.2778 176.6985 31 F 4.1810 8.1493 121.4243 60.2587 38.6701 177.4619 32 K 4.3352 8.5804 119.2044 59.6826 32.0370 178.8694 33 K 4.0014 8.2520 118.5248 59.5676 31.8772 179.1885 34 A 4.0267 8.0860 120.9723 54.9350 18.3330 179.7222 35 R 3.8127 8.4174 117.7396 59.6915 30.2037 178.5329 36 D 4.3793 8.7406 118.9563 57.2577 40.8068 178.6351 37 A 3.9898 8.0500 121.3458 55.1371 18.1668 179.6440 38 L 3.8594 7.9868 116.8741 57.8663 42.0501 179.0993 39 E 3.9042 8.1599 119.2418 59.0615 29.7026 178.6354 40 E 3.9808 8.3224 118.9350 59.5913 29.4699 179.5871 41 S 4.2042 8.1614 113.8924 61.3318 62.8814 176.3035 42 L 4.0950 7.7634 122.1636 57.0544 41.1622 179.0654 43 K 4.3154 7.9523 117.3424 58.2256 31.8811 177.4735 44 L 4.8147 7.4318 118.4767 53.7422 42.1294 175.7717 45 K 4.6714 7.9678 116.7951 55.3467 35.7605 174.6617 46 N 4.6942 8.6379 118.3342 52.5712 39.4225 174.7829 47 W 5.1912 7.8440 124.0607 55.9614 28.8528 175.4456 48 S 4.1057 8.8619 114.8937 59.9301 63.0140 173.5013 49 C 5.1864 8.4397 120.9743 55.1818 42.3721 174.5397 50 S 4.1986 9.2311 119.1671 60.3457 63.1816 174.6416 51 S 4.7999 8.1174 114.6650 55.3070 66.3196 171.9918 52 P 4.3605 0.0000 0.0000 62.7668 31.6872 177.0191 53 V 3.4518 8.5777 123.3273 65.4297 31.6869 175.9375 54 F 4.2912 7.6134 117.9618 54.7509 39.9543 173.9032 55 P 4.3211 0.0000 0.0000 62.7177 31.6834 177.6363 56 G 3.7741 8.8792 110.7268 48.1078 0.0000 173.8583 57 N 4.8410 7.9659 114.6830 51.8794 37.6807 174.4659 58 W 2.5400 7.5674 129.1594 57.8852 31.0365 174.9400 59 D 4.2230 7.1362 119.0263 53.5040 43.2268 176.3603 60 L 4.0382 8.2692 127.7328 57.7227 41.8462 179.3532 61 R 3.9387 8.2077 116.4671 57.9472 29.9122 177.3577 62 L 4.2304 8.0674 117.3904 55.4332 42.1102 176.6388 63 L 4.5355 7.5537 118.8032 52.5238 43.9124 176.3290 64 Q 4.1444 8.6670 119.5135 55.6321 29.4070 177.8759 65 V 3.5918 8.5438 120.1757 66.6623 31.1525 178.7869 66 R 3.9736 7.8750 115.9727 59.1813 30.3695 178.3289 67 E 4.1609 8.2818 117.8939 58.6231 29.4827 179.3555 68 R 3.9822 7.6730 118.6907 58.7020 29.9982 177.1566 69 P 4.3223 0.0000 0.0000 65.2825 31.3900 178.8046 70 V 3.6043 7.8099 116.5611 65.9930 31.5443 177.7548 71 A 4.2426 7.9684 120.2349 55.2336 18.2020 179.4109 72 L 4.1741 8.1727 118.9250 58.2939 42.2098 178.7379 73 E 3.9693 8.7072 119.5229 59.1824 29.5254 178.7674 74 A 4.1103 8.0212 120.7067 55.0854 18.4950 179.4889 75 E 4.0831 8.5346 116.2467 59.3216 29.5137 179.2227 76 L 3.8944 8.1600 121.3684 57.9668 42.2208 178.7729 77 A 3.9638 8.5934 121.1964 54.8518 18.2092 179.4461 78 L 3.9051 7.9885 119.1304 58.4428 42.0917 179.1047 79 T 3.8503 8.1739 116.0163 66.7566 68.4087 176.5008 80 L 3.9421 8.1206 120.9043 57.6615 41.7671 179.5367 81 K 3.9656 8.1121 119.5990 59.4231 32.1470 179.1350 82 V 3.5835 7.9707 118.6847 66.0069 31.2782 178.1270 83 L 4.0331 8.0337 117.9801 57.6494 41.7240 178.9474 84 E 4.0827 8.7318 118.9803 59.2163 29.1494 178.9509 85 A 4.1497 7.6918 119.0042 54.0875 18.7322 178.7326 86 A 4.1419 7.7767 117.5515 53.0780 19.9125 177.6108 87 A 4.2405 7.5250 122.6906 51.1323 17.7246 176.5432 88 G 3.9007 7.4662 112.9778 43.8863 0.0000 171.6979 89 P 4.1309 0.0000 0.0000 65.5923 31.3312 178.2061 90 A 4.1302 8.0313 119.7864 54.2011 18.6628 177.7798 91 L 4.6806 7.9985 113.6112 54.3000 43.0352 178.2675 92 E 3.9900 8.1684 117.8090 59.4425 29.4078 178.4507 93 D 4.4587 7.9821 119.6558 57.1135 40.8356 178.7020 94 V 3.7415 7.6571 117.4554 63.7499 32.1257 177.3293 95 L 4.2852 7.9325 118.5421 55.3688 41.7951 178.1085 96 D 4.2716 7.6308 118.9112 57.5047 41.2597 178.0571 97 Q 3.9039 7.8894 117.8848 58.5227 28.7186 176.9376 98 P 3.5141 0.0000 0.0000 65.3244 31.2898 178.7106 99 L 4.0447 8.0800 117.9144 57.8180 41.5115 178.9825 100 H 4.1353 8.2944 118.2321 59.6476 29.7652 177.4259 101 T 3.9152 8.4259 117.8145 66.7167 68.1980 176.5977 102 L 4.0668 8.2894 120.9345 58.1538 41.6539 179.2880 103 H 4.0736 8.6426 116.5620 59.0579 28.5436 177.4121 104 H 4.2000 8.2778 120.0095 59.3115 29.6641 177.2550 105 I 3.6335 8.0711 121.9850 64.4341 36.8563 178.1453 106 L 3.9418 8.2163 121.2901 58.1785 41.8614 179.3205 107 S 4.1057 8.2152 115.1302 61.6661 62.6067 176.4510 108 Q 3.9594 8.0039 119.8398 59.0207 28.7602 178.6586 109 L 4.1147 8.1778 121.3890 58.2686 42.2115 179.0519 110 Q 4.0499 8.4091 118.0751 58.6566 28.4122 178.2626 111 A 4.2137 7.9439 120.7394 54.0383 18.3910 177.6805 112 C 4.5939 7.7467 112.9203 59.3639 29.0475 174.1335 113 I 4.1652 7.5326 124.0241 60.3301 36.2509 175.8133 114 Q 4.2870 8.3282 124.4061 53.5300 28.8375 171.9230 115 P 4.3967 0.0000 0.0000 62.1828 32.1124 177.5631 *122 R 4.1161 8.0333 117.6959 55.5424 29.6205 174.4761 123 P 4.5054 0.0000 0.0000 61.9372 32.2845 176.1534 124 R 4.7012 8.2304 118.6082 54.4088 33.9159 175.8232 125 G 4.3044 7.8308 108.0493 44.2657 0.0000 173.8098 126 R 3.4863 8.1774 116.7246 58.7123 29.7910 178.6196 127 L 3.6277 7.2996 119.8961 58.2837 42.2147 178.3276 128 H 4.1371 8.0130 117.7431 59.4065 29.8911 176.5233 129 H 4.2188 8.1933 120.1020 59.1388 29.7111 177.3784 130 W 4.5597 8.5422 121.2038 59.9898 28.9091 178.5779 131 L 4.1892 8.4498 119.1119 58.0059 40.9857 179.1588 132 H 4.1120 8.2716 118.3904 59.2005 29.6943 177.2729 133 R 3.8521 8.1398 120.5442 59.4734 29.6532 178.5351 134 L 3.7846 7.9068 117.9656 57.6955 41.6806 178.9772 135 Q 4.0483 8.1153 118.9498 58.7246 29.2792 177.3832 136 E 4.1343 8.0306 119.1712 58.0376 29.6769 178.3906 137 A 3.9217 7.5108 121.2893 54.9691 18.2400 177.9976 138 P 4.2608 0.0000 0.0000 65.0332 31.3998 178.3472 139 K 4.1988 7.8391 116.7012 57.8925 32.3986 177.7502 140 K 4.3524 7.9435 116.0634 56.3845 33.3464 175.9704 141 E 4.7211 7.7392 117.6477 54.0247 32.1267 176.3105 142 S 4.4479 8.2502 115.8152 57.9414 65.3457 175.1911 143 A 4.1052 8.5087 123.7196 55.1418 18.1125 180.0904 144 G 3.6328 8.1057 103.9332 48.0066 0.0000 176.3070 145 C 4.8052 8.2583 122.1541 59.1649 44.3464 175.7165 146 L 3.9086 8.0540 120.5836 57.7503 41.1670 179.4450 147 E 3.8133 8.4285 118.5084 59.3066 29.4111 179.2261 148 A 3.2460 7.8299 120.7538 54.9482 18.3677 179.9590 149 S 4.2111 8.0800 113.6493 61.8749 62.7749 177.2820 150 V 3.8498 7.8473 114.0933 64.2230 31.2697 178.5348 151 T 3.7667 7.6633 115.8442 66.4789 68.0215 176.3793 152 F 4.5131 7.4548 117.5432 59.2959 39.3913 176.8056 153 N 4.2869 7.8649 115.7466 54.5677 38.6169 176.4078 154 L 3.5599 7.1029 121.8278 58.7212 42.1661 178.9228 155 F 3.8285 7.8564 116.6805 59.9201 38.9443 177.7055 156 R 3.9140 7.8646 118.4544 58.9320 29.9435 177.8692 157 L 3.8535 7.8235 120.3453 58.3867 41.8612 179.1917 158 L 3.9096 7.7552 117.5645 56.8658 41.5030 178.4948 159 T 4.3409 7.6858 108.1851 62.5147 70.5708 176.0090 160 R 3.9425 7.8589 120.6861 58.5547 30.6648 178.1283 161 D 4.4944 7.8464 118.1691 57.2567 40.9832 178.3958 162 L 3.9782 7.8988 120.9693 57.7780 41.7989 179.0080 163 K 3.8235 7.6436 118.5326 59.5549 32.6245 178.0073 164 Y 4.4931 7.2683 116.6571 61.0819 37.9244 178.5179 165 V 3.6468 7.8849 118.9644 66.0879 31.4706 177.7332 166 A 4.1935 7.7959 118.1522 54.1529 18.1584 179.0484 167 D 4.7089 7.9379 117.2152 56.2123 41.9378 178.0509 168 G 3.9564 7.3534 112.8238 44.2847 0.0000 172.9935 169 N 4.3318 8.7302 125.5973 55.2870 38.3627 176.7435 170 L 4.0059 7.9086 122.2190 54.2373 40.9622 175.6634 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 22 S 8.33 4.45 0.00 3.89 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 23 L 8.15 4.44 0.00 1.78 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 S 10.37 4.52 0.00 4.02 4.01 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 0.00 0.00 0.00 25 P 0.00 4.28 0.00 2.19 2.17 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 2.17 0.00 26 Q 8.00 3.98 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 27 E 8.22 3.87 0.00 2.31 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 2.33 2.38 0.00 28 L 8.19 4.41 0.00 1.95 1.88 0.99 1.01 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 29 A 8.63 4.11 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 30 S 8.02 4.17 0.00 3.97 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 31 F 8.15 4.18 0.00 3.40 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 32 K 8.58 4.34 0.00 1.95 2.02 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.48 7.81 33 K 8.25 4.00 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 34 A 8.09 4.03 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 35 R 8.42 3.81 0.00 2.11 2.28 0.00 3.28 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 36 D 8.74 4.38 0.00 2.70 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 37 A 8.05 3.99 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 38 L 7.99 3.86 0.00 1.66 1.55 0.83 0.72 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 39 E 8.16 3.90 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 2.42 2.54 0.00 40 E 8.32 3.98 0.00 2.20 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 2.46 2.48 0.00 41 S 8.16 4.20 0.00 4.04 4.11 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 42 L 7.76 4.10 0.00 1.76 1.46 0.40 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.95 4.32 0.00 1.98 1.95 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.74 7.81 44 L 7.43 4.81 0.00 1.59 1.67 0.99 0.80 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 45 K 7.97 4.67 0.00 1.92 1.80 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.53 7.81 46 N 8.64 4.69 0.00 2.69 2.78 0.00 0.00 6.74 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 47 W 7.84 5.19 0.00 3.72 3.22 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 0.00 0.00 0.00 48 S 8.86 4.11 0.00 3.83 3.76 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 49 C 8.44 5.19 0.00 3.01 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 50 S 9.23 4.20 0.00 3.98 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 51 S 8.12 4.80 0.00 3.84 3.77 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 52 P 0.00 4.36 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 53 V 8.58 3.45 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 0.16 0.00 0.00 0.86 0.00 0.00 54 F 7.61 4.29 0.00 2.89 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 1.82 2.10 0.00 3.62 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 2.11 2.17 0.00 56 G 8.88 3.77 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 0.00 0.00 0.00 57 N 7.97 4.84 0.00 2.98 3.01 0.00 0.00 5.95 8.88 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 58 W 7.57 2.54 0.00 2.94 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 59 D 7.14 4.22 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.04 0.00 1.86 1.74 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.21 3.94 0.00 1.72 1.78 0.00 2.62 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.79 0.00 62 L 8.07 4.23 0.00 1.85 1.71 1.23 0.82 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 63 L 7.55 4.54 0.00 1.60 1.61 0.84 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.67 4.14 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 65 V 8.54 3.59 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 1.08 0.00 0.00 0.92 0.00 0.00 66 R 7.88 3.97 0.00 1.81 1.98 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 67 E 8.28 4.16 0.00 2.11 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 2.30 0.00 68 R 7.67 3.98 0.00 1.95 2.02 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 69 P 0.00 4.32 0.00 2.18 2.12 0.00 3.70 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 2.13 2.16 0.00 70 V 7.81 3.60 2.28 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 1.10 0.00 0.00 0.95 0.00 0.00 71 A 7.97 4.24 1.30 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 0.00 0.00 72 L 8.17 4.17 0.00 1.90 1.97 1.03 0.77 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 73 E 8.71 3.97 0.00 2.25 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 0.00 2.34 2.51 0.00 74 A 8.02 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.53 4.08 0.00 2.18 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 0.00 2.85 2.46 0.00 76 L 8.16 3.89 0.00 2.06 1.88 0.88 0.90 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 77 A 8.59 3.96 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 78 L 7.99 3.91 0.00 1.74 1.73 0.84 0.50 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 79 T 8.17 3.85 4.39 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 1.13 0.00 0.00 80 L 8.12 3.94 0.00 1.87 1.65 0.73 0.97 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 81 K 8.11 3.97 0.00 1.82 1.93 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 82 V 7.97 3.58 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 0.96 0.00 0.00 0.94 0.00 0.00 83 L 8.03 4.03 0.00 1.62 1.69 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.73 4.08 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 2.36 2.57 0.00 85 A 7.69 4.15 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 86 A 7.78 4.14 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 87 A 7.52 4.24 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 88 G 7.47 3.90 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 0.00 0.00 0.00 89 P 0.00 4.13 0.00 2.04 2.15 0.00 3.68 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 2.03 2.10 0.00 90 A 8.03 4.13 1.27 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 0.00 0.00 0.00 91 L 8.00 4.68 0.00 1.66 1.64 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.17 3.99 0.00 2.10 2.31 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 2.44 2.38 0.00 93 D 7.98 4.46 0.00 2.69 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 94 V 7.66 3.74 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 0.81 0.00 0.00 0.91 0.00 0.00 95 L 7.93 4.29 0.00 1.84 1.71 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.63 4.27 0.00 2.92 2.61 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 97 Q 7.89 3.90 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 98 P 0.00 3.51 0.00 2.08 1.91 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 99 L 8.08 4.04 0.00 1.85 1.78 0.93 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 0.00 100 H 8.29 4.14 0.00 3.22 3.48 0.00 5.79 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 0.00 101 T 8.43 3.92 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 1.42 0.00 0.00 102 L 8.29 4.07 0.00 1.73 1.72 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.64 4.07 0.00 3.29 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.28 4.20 0.00 3.16 3.47 0.00 5.79 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 0.00 105 I 8.07 3.63 2.03 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 1.43 0.66 0.90 0.00 0.00 106 L 8.22 3.94 0.00 1.72 1.80 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.22 4.11 0.00 4.03 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 0.00 108 Q 8.00 3.96 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 109 L 8.18 4.11 0.00 1.79 1.89 0.94 1.14 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 0.00 110 Q 8.41 4.05 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 111 A 7.94 4.21 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 0.00 112 C 7.75 4.59 0.00 3.07 2.93 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 0.00 113 I 7.53 4.17 1.89 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 1.18 0.78 0.93 0.00 0.00 114 Q 8.33 4.29 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.05 0.00 0.00 0.00 0.00 0.00 2.27 1.94 0.00 115 P 0.00 4.40 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *122 R 8.03 4.12 0.00 1.85 1.81 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 123 P 0.00 4.51 0.00 1.99 1.97 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 124 R 8.23 4.70 0.00 1.62 1.65 0.00 2.44 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 125 G 7.83 4.30 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 0.00 0.00 0.00 126 R 8.18 3.49 0.00 1.08 0.66 0.00 2.91 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 127 L 7.30 3.63 0.00 1.57 1.53 0.94 0.94 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 0.00 128 H 8.01 4.14 0.00 3.28 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.19 4.22 0.00 3.31 3.37 0.00 5.84 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 0.00 130 W 8.54 4.56 0.00 3.54 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.45 4.19 0.00 1.75 1.80 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.27 4.11 0.00 3.21 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.14 3.85 0.00 1.98 2.11 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 134 L 7.91 3.78 0.00 1.79 1.64 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.12 4.05 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 136 E 8.03 4.13 0.00 1.93 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 2.13 2.28 0.00 137 A 7.51 3.92 1.19 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 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.26 0.00 2.00 2.09 0.00 3.66 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 2.11 0.00 139 K 7.84 4.20 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 140 K 7.94 4.35 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 141 E 7.74 4.72 0.00 1.98 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 2.35 2.32 0.00 142 S 8.25 4.45 0.00 4.08 4.03 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 0.00 143 A 8.51 4.11 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 0.00 144 G 8.11 3.63 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 0.00 0.00 0.00 145 C 8.26 4.81 0.00 3.36 3.34 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 0.00 146 L 8.05 3.91 0.00 1.71 1.65 0.89 0.77 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 0.00 147 E 8.43 3.81 0.00 1.90 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 2.25 2.34 0.00 148 A 7.83 3.25 0.44 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 0.00 149 S 8.08 4.21 0.00 3.93 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 0.00 150 V 7.85 3.85 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 0.84 0.00 0.00 0.84 0.00 0.00 151 T 7.66 3.77 3.67 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 0.72 0.00 0.00 152 F 7.45 4.51 0.00 3.01 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 0.00 153 N 7.86 4.29 0.00 2.30 2.39 0.00 0.00 6.64 5.94 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 0.00 154 L 7.10 3.56 0.00 1.66 1.41 0.46 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 155 F 7.86 3.83 0.00 3.13 3.06 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 0.00 0.00 0.00 156 R 7.86 3.91 0.00 1.85 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 157 L 7.82 3.85 0.00 1.57 1.60 0.78 0.43 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 0.00 158 L 7.76 3.91 0.00 1.38 1.47 -0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.69 4.34 4.22 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 0.00 0.00 1.38 0.00 0.00 160 R 7.86 3.94 0.00 1.90 2.14 0.00 3.32 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 161 D 7.85 4.49 0.00 2.96 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 0.00 162 L 7.90 3.98 0.00 1.90 1.71 0.91 0.42 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 0.00 163 K 7.64 3.82 0.00 1.70 1.31 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.27 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.46 7.81 164 Y 7.27 4.49 0.00 3.16 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 0.00 165 V 7.88 3.65 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 1.04 0.00 0.00 1.00 0.00 0.00 166 A 7.80 4.19 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 0.00 167 D 7.94 4.71 0.00 2.93 2.79 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 0.00 168 G 7.35 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 0.00 0.00 0.00 169 N 8.73 4.33 0.00 2.85 2.96 0.00 0.00 6.23 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 0.00 170 L 7.91 4.01 0.00 1.83 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.