NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 5.0502 7.9248 114.2272 60.8348 39.1318 174.6455 11 L 4.3309 8.4724 123.6873 52.5928 42.8013 175.5979 12 S 4.4744 8.7219 118.1710 57.8471 65.4639 174.1967 13 H 4.0885 9.1002 118.5851 59.6495 28.8917 176.8242 14 Q 3.9932 8.1391 118.7632 59.5576 28.1540 178.5830 15 S 4.1407 7.5211 114.7872 61.1401 63.0503 176.4163 16 I 3.5091 7.7382 122.7579 64.0319 36.7373 178.1613 17 K 3.7458 8.1583 120.7444 59.6263 31.6437 178.3014 18 N 4.3460 7.5326 114.5511 55.3457 38.7112 176.6116 19 L 4.1453 7.9102 120.0521 54.7401 41.8120 176.7497 20 L 3.5818 6.6244 120.5514 55.7775 41.6410 177.6460 21 G 4.0387 8.8636 112.5690 45.2583 0.0000 172.6995 22 K 4.3378 7.4298 116.6305 57.4223 34.6427 176.8163 23 V 4.1559 8.1628 117.2719 62.9495 32.3586 175.3905 24 I 4.3042 7.4455 120.7941 59.4362 38.2210 174.4701 25 L 4.9344 8.5931 125.9700 53.7202 43.9216 176.0271 26 N 4.0711 8.4246 114.7672 54.5253 35.7473 173.6991 27 Y 4.6576 7.2434 115.3252 55.7564 40.6431 174.4553 28 S 4.5939 9.0935 113.1309 56.5424 65.2824 173.9015 29 E 4.1703 9.4886 128.1306 59.6728 29.3904 179.3617 30 E 4.0485 8.2248 114.5991 59.1544 29.7639 177.3001 31 N 4.2734 8.2062 115.6031 53.5896 38.6636 174.5809 32 V 4.3960 7.5512 119.5028 61.9481 31.5905 175.2331 33 R 4.6379 8.4287 132.0856 55.5077 31.8156 176.2230 34 E 4.2440 9.0036 118.4624 60.3100 29.6646 179.0117 35 N 5.0148 7.4855 114.9202 50.9657 37.1983 173.2091 36 G 4.2798 7.4840 104.6128 47.8000 0.0000 171.9023 37 Y 5.2970 8.6670 120.3645 55.8035 42.0605 174.3986 38 D 5.0380 8.1060 127.1502 52.9221 41.2736 176.1178 39 L 4.6158 8.9244 127.2243 55.1992 43.4533 175.9415 40 R 5.0418 9.2502 124.3136 54.3711 33.5129 174.8103 41 I 4.7562 8.0834 115.2312 60.2899 39.4476 174.7276 42 C 4.4541 9.5261 124.9086 58.3672 44.9744 174.7576 43 G 4.2988 9.1077 108.9576 46.5228 0.0000 172.8980 44 D 4.6709 8.6604 118.7751 56.5187 41.9306 176.4262 45 K 5.3883 8.1292 115.2945 54.7754 36.5855 175.1008 46 Y 4.8366 8.2772 118.6071 55.5444 41.9493 173.6709 47 Y 5.0147 8.7154 117.0856 56.1299 42.1460 174.1166 48 E 4.5561 8.7142 123.8878 54.1100 31.9725 174.8762 49 L 4.5018 8.3059 128.1133 55.0365 41.6293 177.2955 50 V 4.3628 8.9749 116.7662 61.3022 34.0994 175.8680 51 Q 4.4872 7.8292 121.1480 53.7308 32.4851 174.6068 52 G 4.1246 8.8677 112.4798 46.6213 0.0000 172.4374 53 A 4.6783 8.3704 122.2720 50.6124 21.1277 177.2683 54 E 4.6395 8.8785 118.7467 54.1580 29.8520 175.5046 55 L 4.3657 8.0586 121.8166 54.0266 42.7230 175.7431 56 P 4.5982 0.0000 0.0000 63.7366 32.2107 177.0044 57 E 4.0125 8.2383 118.5110 58.2709 29.7681 176.5670 58 K 4.5449 8.3952 120.8836 54.3199 34.6066 176.3338 59 K 4.6595 8.7267 126.5419 55.5541 33.2587 176.7374 60 A 4.2764 8.4026 123.2197 52.5298 19.5042 177.1227 61 T 4.3235 8.5208 116.7783 62.8442 69.9059 174.3042 62 L 5.1333 8.4911 125.5348 52.9794 44.8725 175.7029 63 R 4.5360 8.6458 122.1039 54.4695 32.3816 174.2704 64 E 4.1964 8.8564 128.2019 55.7758 30.6724 175.5411 65 I 4.3635 7.5956 127.2033 58.8269 40.7253 174.5787 66 E 4.1677 8.7647 127.8413 56.5723 30.2235 176.3947 67 F 4.7988 9.3343 130.9918 57.8094 38.3999 175.1720 68 K 4.2152 9.1469 124.6526 56.2812 32.7868 177.4895 69 E 4.6211 8.2861 118.4814 57.4182 33.4710 176.2997 70 R 5.1716 8.0040 115.2900 54.5493 34.7725 174.5420 71 A 4.1759 9.1701 125.0886 50.5578 20.6305 176.0555 72 I 4.6238 8.2977 124.5194 60.1874 38.3180 175.4430 73 L 4.3792 9.1412 127.5492 52.9495 44.5996 175.7536 74 S 5.2966 9.5734 118.5637 56.4991 65.2863 174.0527 75 A 4.3211 8.8264 126.3998 53.8146 18.6166 177.0396 76 N 4.3234 8.9985 116.6396 54.5761 36.8747 174.0788 77 H 4.9202 7.8654 113.1392 54.3414 33.1722 172.6464 78 T 5.1269 8.1575 117.3602 62.3175 71.0058 173.1763 79 Y 5.0052 9.3271 122.6007 56.1414 42.2032 174.3017 80 L 5.1868 8.9034 123.2833 53.1550 44.1501 175.5116 81 F 5.3243 9.2367 122.4101 55.6135 42.8179 173.9531 82 E 5.1518 9.0788 123.5157 55.4217 31.1163 175.6919 83 S 4.9152 8.9005 121.5178 58.5252 63.8567 173.6593 84 C 4.5092 9.1765 122.6505 60.0000 42.0669 174.2796 85 E 4.4301 8.3323 118.0053 56.3275 30.5786 175.3880 86 E 4.7137 8.6777 123.8476 54.4279 32.6777 174.6438 87 F 5.4565 9.2880 124.7295 55.9573 41.9081 174.0585 88 N 5.3298 8.9469 119.2620 51.4301 42.9123 171.3841 *90 P 4.2900 0.0000 0.0000 62.3913 33.1641 176.9429 91 A 4.2861 8.6867 121.5980 53.7295 18.5154 178.2719 92 D 5.1025 8.0725 114.3417 52.5123 39.8950 175.0970 93 L 5.4650 7.9076 119.1881 53.4583 46.1097 175.2606 94 A 4.7809 9.0537 122.0194 50.4971 23.5018 175.1260 95 V 4.4767 8.4483 118.4364 60.8944 35.0744 174.0165 96 L 4.5991 8.7026 130.4163 53.8427 43.8198 175.0737 97 I 4.5040 8.7712 128.6316 60.5579 38.4481 175.1870 98 T 4.6971 8.6080 117.2509 59.6416 72.2073 172.7215 99 L 4.7003 8.2229 123.6241 53.4601 43.6755 176.2358 100 K 4.2772 8.5847 125.3722 56.3527 32.7243 178.6004 101 S 4.2253 8.8938 118.9898 61.5370 62.5838 176.9589 102 T 3.8740 7.8339 119.4874 66.6418 68.2855 176.3224 103 L 3.9979 7.8672 120.2301 57.4589 41.3252 179.1197 104 A 4.2480 7.9927 121.1111 55.1559 18.2591 179.3452 105 R 4.1878 8.2308 110.8290 57.4685 29.9135 176.6681 106 N 4.8027 7.8812 115.4298 53.2330 38.8890 174.9875 107 G 3.9177 8.2431 105.8473 45.9262 0.0000 173.1734 108 F 5.2235 7.9424 116.5804 55.2070 42.0203 174.9972 109 L 5.0655 8.9329 121.2481 53.3106 45.2296 175.4260 110 A 5.0159 8.3306 121.6323 50.5168 21.9809 174.4982 111 P 4.6188 0.0000 0.0000 60.9246 32.9827 173.8080 112 P 4.7817 0.0000 0.0000 63.1101 32.2044 175.4152 113 T 4.7570 8.3361 110.9450 60.1510 72.9027 172.4691 114 V 4.7544 8.0717 120.3051 61.1210 35.1038 174.3653 115 I 3.9817 8.2779 127.0789 59.6247 39.0256 175.3277 116 D 4.9462 8.2024 126.6365 53.0515 42.9527 175.9231 117 A 4.4623 7.8670 123.0028 53.3441 18.8569 178.9672 118 G 4.1191 9.0072 111.2813 45.2609 0.0000 173.3308 119 Y 4.5150 7.9391 121.5087 57.4649 39.6088 174.6620 120 K 4.5795 8.8374 125.6748 55.3727 35.6017 175.1529 121 G 3.8728 8.9624 108.3481 43.7416 0.0000 173.0252 122 K 5.0396 8.3284 118.3406 55.8504 33.1959 177.0167 123 V 4.6514 8.9601 114.2545 59.8428 35.2276 174.8432 124 N 5.4214 8.5911 119.2417 51.8629 40.6926 174.4146 125 V 4.4517 8.9810 117.6344 59.4959 34.7226 174.8126 126 A 5.1735 8.5585 125.7356 50.6383 20.5600 176.1706 127 I 4.8252 9.1838 124.1842 60.0544 40.4528 174.8573 128 T 5.2533 9.2141 123.6423 61.8403 71.1156 173.2160 129 A 4.6988 8.9589 128.4862 51.0775 19.8461 178.1892 130 V 3.5488 8.0864 123.0824 64.8061 32.2037 175.3660 131 Y 4.8793 7.4607 115.4757 55.5297 42.2030 174.9542 132 N 4.7592 8.8740 118.9170 54.0297 39.3446 174.8472 133 S 4.7822 9.1173 118.1972 58.4862 66.5547 173.1725 134 S 5.1443 8.5783 112.2187 57.6791 65.7789 173.6017 135 L 4.6835 8.4618 120.6920 52.6900 45.2243 175.7939 136 K 4.5522 8.5188 124.6393 55.5637 33.1084 176.3484 137 K 3.5888 8.5710 129.4050 57.1502 32.4622 176.7156 138 G 3.4127 8.2342 114.5425 45.6976 0.0000 173.2030 *140 A 4.2613 7.3427 119.0242 52.3255 20.4926 176.6494 141 T 4.4186 8.8629 111.8869 62.1211 71.8525 173.7256 142 H 5.3321 8.2400 117.1203 53.8606 33.2264 172.6120 143 H 5.3145 9.1822 120.7435 54.6044 32.0790 172.7633 144 L 4.8023 9.4525 127.5886 53.9943 43.2753 175.8712 145 I 4.7435 8.3086 124.9420 59.5695 39.7522 174.5798 146 F 4.9497 8.9995 126.0255 56.3374 40.6183 174.5958 147 L 5.0906 9.1356 124.3984 52.9135 44.2734 175.5768 148 K 4.8931 8.5192 122.3857 55.0184 33.3005 176.5492 149 L 4.3807 8.8467 125.5117 54.2680 42.3652 178.1927 150 D 4.2522 8.8015 121.5969 56.1152 39.6156 176.5901 151 K 4.5698 7.2719 116.5471 54.1505 36.3611 173.7519 152 P 4.4138 0.0000 0.0000 62.8431 31.6587 176.5431 153 T 3.9769 8.5309 118.9477 62.3413 67.6705 173.9606 154 E 4.1626 8.7021 126.5683 57.2956 29.9649 176.6702 155 R 4.4106 7.7863 118.6642 54.1494 30.9980 174.5888 156 L 4.4229 8.1766 124.5260 53.6920 42.7652 176.6737 157 Y 4.2628 8.3548 122.6771 58.2901 39.1659 176.5235 158 N 4.5027 7.1764 121.3666 53.2160 38.3015 174.9824 159 G 3.5616 5.3800 109.6084 45.1595 0.0000 174.7166 160 K 4.0192 8.3330 117.3930 58.9685 32.6392 177.0416 161 Y 4.8501 8.1920 116.9022 57.6010 38.5811 175.2221 162 Q 4.3435 8.0286 121.6314 58.1867 29.3428 177.0305 163 G 3.8815 8.2239 113.6558 45.0787 0.0000 173.8565 164 G 4.1884 7.9863 107.3660 46.4317 0.0000 173.9780 165 I 3.8886 7.9072 120.2880 60.7369 37.7095 175.7599 166 L 4.0538 8.6939 128.0526 57.4198 42.1097 176.5375 167 I 4.1858 7.4705 121.0193 61.5923 37.7229 173.6798 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 10 I 7.92 5.05 1.99 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 1.41 1.09 0.93 0.00 0.00 11 L 8.47 4.33 0.00 1.68 1.60 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.72 4.47 0.00 4.04 4.04 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 0.00 0.00 0.00 13 H 9.10 4.09 0.00 3.55 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.14 3.99 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 15 S 7.52 4.14 0.00 3.99 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 16 I 7.74 3.51 1.89 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 1.05 0.76 0.67 0.00 0.00 17 K 8.16 3.75 0.00 1.75 1.88 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.41 7.81 18 N 7.53 4.35 0.00 2.85 2.79 0.00 0.00 7.06 7.73 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 19 L 7.91 4.15 0.00 1.48 1.51 0.41 0.31 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 20 L 6.62 3.58 0.00 1.12 0.13 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.86 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.43 4.34 0.00 1.61 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.42 7.81 23 V 8.16 4.16 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 1.33 0.00 0.00 0.94 0.00 0.00 24 I 7.45 4.30 1.55 0.00 0.00 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 1.25 0.48 0.33 0.00 0.00 25 L 8.59 4.93 0.00 1.64 1.54 0.91 0.52 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 26 N 8.42 4.07 0.00 2.90 2.83 0.00 0.00 6.92 7.46 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 27 Y 7.24 4.66 0.00 3.13 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 28 S 9.09 4.59 0.00 3.90 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 29 E 9.49 4.17 0.00 2.13 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 0.00 2.69 2.39 0.00 30 E 8.22 4.05 0.00 2.07 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 2.30 2.33 0.00 31 N 8.21 4.27 0.00 2.71 2.15 0.00 0.00 6.45 7.00 0.00 0.00 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 V 7.55 4.40 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 0.66 0.00 0.00 1.09 0.00 0.00 33 R 8.43 4.64 0.00 1.87 1.86 0.00 3.36 0.00 0.00 3.24 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 34 E 9.00 4.24 0.00 1.98 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 35 N 7.49 5.01 0.00 2.82 2.88 0.00 0.00 5.83 7.00 0.00 0.00 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 G 7.48 4.28 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 0.00 37 Y 8.67 5.30 0.00 3.41 3.19 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 38 D 8.11 5.04 0.00 2.29 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 39 L 8.92 4.62 0.00 2.03 1.67 1.36 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.25 5.04 0.00 1.84 1.88 0.00 3.29 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 41 I 8.08 4.76 1.87 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.76 0.00 0.00 42 C 9.53 4.45 0.00 2.83 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 43 G 9.11 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 44 D 8.66 4.67 0.00 2.69 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 45 K 8.13 5.39 0.00 1.35 1.33 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 46 Y 8.28 4.84 0.00 2.42 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 47 Y 8.72 5.01 0.00 2.79 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 48 E 8.71 4.56 0.00 2.12 1.72 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 2.02 1.63 0.00 49 L 8.31 4.50 0.00 1.51 1.51 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.97 4.36 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 0.69 0.00 0.00 0.95 0.00 0.00 51 Q 7.83 4.49 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 52 G 8.87 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.37 4.68 1.23 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 0.00 0.00 54 E 8.88 4.64 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 55 L 8.06 4.37 0.00 1.61 1.60 0.96 1.12 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 56 P 0.00 4.60 0.00 2.16 2.16 0.00 3.76 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 1.93 1.97 0.00 57 E 8.24 4.01 0.00 1.95 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 2.31 2.35 0.00 58 K 8.40 4.54 0.00 1.76 1.73 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.36 7.81 59 K 8.73 4.66 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.45 7.81 60 A 8.40 4.28 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 0.00 0.00 0.00 0.00 0.00 61 T 8.52 4.32 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 1.20 0.00 0.00 62 L 8.49 5.13 0.00 1.51 1.64 0.63 0.80 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 63 R 8.65 4.54 0.00 1.83 1.71 0.00 3.06 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 64 E 8.86 4.20 0.00 2.17 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 2.08 1.92 0.00 65 I 7.60 4.36 0.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.36 0.67 0.00 0.00 66 E 8.76 4.17 0.00 1.96 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 2.33 2.46 0.00 67 F 9.33 4.80 0.00 3.10 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 68 K 9.15 4.22 0.00 1.88 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.56 7.81 69 E 8.29 4.62 0.00 1.87 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 2.28 2.24 0.00 70 R 8.00 5.17 0.00 1.67 1.78 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 71 A 9.17 4.18 0.17 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 72 I 8.30 4.62 1.95 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 0.94 0.94 0.00 0.00 73 L 9.14 4.38 0.00 1.55 1.43 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.57 5.30 0.00 3.71 3.78 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 75 A 8.83 4.32 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 0.00 0.00 0.00 0.00 0.00 76 N 9.00 4.32 0.00 2.88 2.89 0.00 0.00 6.73 8.06 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 77 H 7.87 4.92 0.00 3.57 2.79 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.16 5.13 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 1.22 0.00 0.00 79 Y 9.33 5.01 0.00 2.86 2.45 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 80 L 8.90 5.19 0.00 1.62 1.59 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.24 5.32 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 82 E 9.08 5.15 0.00 2.26 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 2.48 2.44 0.00 83 S 8.90 4.92 0.00 4.11 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 84 C 9.18 4.51 0.00 3.19 3.19 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 85 E 8.33 4.43 0.00 1.95 1.23 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 2.41 2.53 0.00 86 E 8.68 4.71 0.00 1.97 1.67 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 2.18 2.24 0.00 87 F 9.29 5.46 0.00 3.24 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 88 N 8.95 5.33 0.00 2.83 2.79 0.00 0.00 7.03 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 *90 P 0.00 4.29 0.00 2.43 2.25 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 91 A 8.69 4.29 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 92 D 8.07 5.10 0.00 2.81 2.87 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 0.00 0.00 0.00 93 L 7.91 5.47 0.00 1.60 1.67 0.99 0.96 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 94 A 9.05 4.78 1.15 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 0.00 0.00 95 V 8.45 4.48 1.66 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 0.44 0.00 0.00 0.33 0.00 0.00 96 L 8.70 4.60 0.00 1.69 1.41 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.77 4.50 1.87 0.00 0.00 0.64 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 0.81 0.87 0.00 0.00 98 T 8.61 4.70 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 1.17 0.00 0.00 99 L 8.22 4.70 0.00 1.64 1.59 0.80 0.68 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 0.00 100 K 8.58 4.28 0.00 1.81 1.67 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 101 S 8.89 4.23 0.00 4.06 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 0.00 102 T 7.83 3.87 4.21 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 1.20 0.00 0.00 103 L 7.87 4.00 0.00 1.82 1.74 0.75 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.99 4.25 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 0.00 105 R 8.23 4.19 0.00 1.92 2.08 0.00 3.04 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 1.92 1.62 0.00 106 N 7.88 4.80 0.00 3.11 3.02 0.00 0.00 7.11 7.53 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 0.00 107 G 8.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 7.94 5.22 0.00 3.11 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 0.00 109 L 8.93 5.07 0.00 1.61 1.57 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.33 5.02 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 0.00 111 P 0.00 4.62 0.00 2.18 2.06 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 112 P 0.00 4.78 0.00 2.07 2.08 0.00 3.70 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 1.97 1.95 0.00 113 T 8.34 4.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 114 V 8.07 4.75 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 0.74 0.00 0.00 0.85 0.00 0.00 115 I 8.28 3.98 1.50 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.09 0.56 0.00 0.00 116 D 8.20 4.95 0.00 2.58 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 0.00 117 A 7.87 4.46 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 0.00 118 G 9.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.94 4.51 0.00 2.92 2.87 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 0.00 0.00 0.00 120 K 8.84 4.58 0.00 1.61 1.54 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.51 7.81 121 G 8.96 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.33 5.04 0.00 1.79 1.92 0.00 1.84 0.00 0.00 1.20 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.70 1.38 7.81 123 V 8.96 4.65 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 0.56 0.00 0.00 1.04 0.00 0.00 124 N 8.59 5.42 0.00 2.48 2.72 0.00 0.00 6.83 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 0.00 125 V 8.98 4.45 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 0.58 0.00 0.00 1.08 0.00 0.00 126 A 8.56 5.17 1.24 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 0.00 0.00 0.00 127 I 9.18 4.83 2.28 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 1.18 0.00 0.00 128 T 9.21 5.25 4.32 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 1.32 0.00 0.00 129 A 8.96 4.70 1.55 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 0.00 0.00 130 V 8.09 3.55 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 0.11 0.00 0.00 0.88 0.00 0.00 131 Y 7.46 4.88 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.87 4.76 0.00 2.66 2.82 0.00 0.00 6.74 7.57 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 0.00 133 S 9.12 4.78 0.00 4.05 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 0.00 134 S 8.58 5.14 0.00 3.92 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 0.00 135 L 8.46 4.68 0.00 1.21 1.19 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.52 4.55 0.00 1.72 1.63 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.51 7.81 137 K 8.57 3.59 0.00 1.02 1.34 0.00 0.94 0.00 0.00 1.36 0.00 0.00 2.62 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.95 0.21 7.81 138 G 8.23 3.41 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 0.00 *140 A 7.34 4.26 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 0.00 141 T 8.86 4.42 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 0.96 0.00 0.00 142 H 8.24 5.33 0.00 3.15 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 9.18 5.31 0.00 3.11 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.45 4.80 0.00 1.71 1.16 1.24 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.31 4.74 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.90 0.00 0.00 146 F 9.00 4.95 0.00 2.97 3.02 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 0.00 147 L 9.14 5.09 0.00 1.56 1.55 0.92 0.89 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 0.00 148 K 8.52 4.89 0.00 1.66 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.50 7.81 149 L 8.85 4.38 0.00 1.66 1.73 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.80 4.25 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.27 4.57 0.00 1.57 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 152 P 0.00 4.41 0.00 2.05 2.02 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 153 T 8.53 3.98 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 1.33 0.00 0.00 154 E 8.70 4.16 0.00 2.01 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 2.30 0.00 155 R 7.79 4.41 0.00 1.74 1.83 0.00 3.26 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 156 L 8.18 4.42 0.00 1.72 1.65 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.35 4.26 0.00 3.13 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 0.00 158 N 7.18 4.50 0.00 2.70 2.70 0.00 0.00 6.08 7.00 0.00 0.00 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 G 5.38 3.56 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 0.00 0.00 0.00 160 K 8.33 4.02 0.00 1.64 1.77 0.00 1.32 0.00 0.00 1.28 0.00 0.00 2.56 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.96 0.29 7.81 161 Y 8.19 4.85 0.00 3.35 3.10 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 0.00 162 Q 8.03 4.34 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 163 G 8.22 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 0.00 164 G 7.99 4.19 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 0.00 165 I 7.91 3.89 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 1.03 0.00 0.00 166 L 8.69 4.05 0.00 1.52 1.62 0.83 -0.01 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 0.00 167 I 7.47 4.19 1.82 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 1.33 0.73 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.