NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1826 8.2493 123.5814 51.6098 19.2797 175.4482 2 D 4.2829 8.8003 123.9029 52.3752 38.6871 174.8513 3 Q 3.9434 10.0049 125.3835 58.9839 30.3416 179.5880 4 L 3.5709 7.1438 115.2821 53.2329 39.3095 175.9058 5 T 4.2025 9.2268 115.4062 61.3112 70.0458 174.5665 6 E 4.1606 8.5405 119.0503 58.5915 30.2457 178.9960 7 E 4.0327 7.9254 118.8555 59.0611 29.8381 178.4131 8 Q 3.8014 7.7901 116.5931 58.5508 28.6955 177.7583 9 I 3.9823 7.0163 119.2410 63.3304 36.8001 177.7965 10 A 4.0332 7.3931 120.7147 54.6597 18.0948 179.6291 11 E 3.9993 7.9793 117.3437 59.7750 29.8294 179.4109 12 F 4.8793 8.3296 118.2383 60.7253 38.9158 177.6646 13 K 4.2316 8.7110 119.4876 59.0444 31.9268 178.7023 14 E 3.9244 8.1303 118.6106 59.2775 29.1016 178.2982 15 A 4.1575 8.6123 121.2960 55.5193 18.3103 179.5014 16 F 3.5287 8.2545 118.3346 61.3034 39.3108 177.4938 17 S 4.1194 8.3019 111.6752 61.4073 62.1908 175.8784 18 L 4.0527 7.7417 120.9179 57.2043 41.3199 179.0518 19 F 4.3660 7.1194 117.7631 59.3283 39.8368 176.5898 20 D 4.6659 7.7681 120.2577 52.7148 39.0680 176.5676 21 K 3.9226 8.1502 123.7515 58.9731 32.4914 178.0179 22 D 4.5399 8.1461 114.4830 52.7190 39.7308 176.1506 23 G 3.9678 7.4760 107.5788 47.0728 0.0000 174.0165 24 D 4.5996 8.6874 116.2682 52.6787 39.9608 177.1160 25 G 4.1819 9.4418 108.6647 45.7731 0.0000 173.4536 26 T 5.1335 7.9934 108.0409 59.9469 72.4213 173.3175 27 I 5.0662 9.1225 124.6706 59.3863 39.3324 175.6288 28 T 4.6679 8.4823 117.5130 60.3622 71.3751 176.0236 29 T 3.8485 8.4901 112.2052 64.9527 68.6561 176.2566 30 K 3.9495 8.0402 122.1550 59.2617 31.7723 178.4159 31 E 4.0546 8.2231 118.8771 58.9377 29.3894 179.0563 32 L 4.2523 8.4835 121.2069 58.1076 42.2201 179.1231 33 G 3.6960 8.7130 106.0412 48.1291 0.0000 175.5468 34 T 3.8553 7.7458 117.7128 66.4466 68.4941 176.7561 35 V 3.4830 7.4593 119.2681 66.4255 31.5032 178.0812 36 M 4.1671 8.2339 118.3059 58.2110 31.7486 179.0900 37 R 4.1861 8.5625 120.1651 58.7297 30.0251 178.9072 38 S 4.1853 8.0393 114.1748 61.6721 62.8916 176.3005 39 L 4.4600 7.6122 118.8287 54.8194 41.7195 177.9369 40 G 3.8834 7.9365 105.8074 45.9887 0.0000 174.5202 41 Q 4.4076 8.1485 119.3800 55.1885 30.3245 175.1171 42 N 5.2335 8.2074 114.5803 51.2699 38.8494 172.2674 43 P 4.8563 0.0000 0.0000 62.0917 33.7967 176.7283 44 T 4.4733 8.2304 110.2607 60.3256 71.8484 175.5046 45 E 3.9391 8.5104 120.9124 59.2976 29.5507 178.4134 46 A 3.9794 8.0075 120.3802 55.0301 18.5182 179.4101 47 E 3.9360 7.9630 116.8391 59.4597 29.5898 179.4376 48 L 3.9881 7.7398 118.4832 58.0680 41.8384 179.5629 49 Q 4.0274 8.3364 118.0861 59.1678 28.3364 178.9098 50 D 4.4025 7.6025 119.4028 57.3140 40.8049 178.4964 51 M 4.1814 7.8593 118.8951 58.6014 31.8557 178.7890 52 I 3.6847 7.8393 119.8273 64.5293 36.9630 178.1527 53 N 4.4329 7.8724 116.2935 55.6712 38.5608 176.8206 54 E 4.1372 7.8462 117.4331 57.9464 30.0102 177.4716 55 V 4.1397 7.4983 117.2281 63.0515 33.5092 175.8628 56 D 4.6148 7.6114 120.1521 53.2260 38.9442 175.7774 57 A 3.9585 8.3221 126.2266 54.6610 18.7233 178.5741 58 D 4.6211 8.2938 111.8246 52.4811 39.6246 176.5050 59 G 4.0458 7.8414 106.7208 46.8129 0.0000 174.4135 60 N 4.4655 8.4570 115.4541 53.0382 37.6985 176.1081 61 G 4.0065 9.8658 108.5996 45.4808 0.0000 173.2005 62 T 4.8649 7.6851 114.0719 61.8263 73.0981 173.2344 63 I 4.6995 8.4611 124.6872 60.1709 39.2282 175.3629 64 D 5.4118 9.5240 127.1920 51.7005 42.4169 177.2411 65 F 3.5917 8.8221 119.2305 60.9146 39.0899 174.6756 66 P 3.9971 0.0000 0.0000 65.8170 30.6398 178.3370 67 E 3.8835 8.4911 116.9299 59.2265 29.3587 179.1166 68 F 4.0624 8.6103 121.0495 61.2307 39.4398 176.9065 69 L 3.4525 7.9736 119.9898 58.2023 41.8512 178.6354 70 T 3.7410 7.6723 115.8236 67.1756 68.4341 176.0626 71 M 3.8816 7.3817 118.4571 58.8480 32.1591 178.1850 72 M 3.6506 7.4352 118.6430 57.8818 31.8892 178.5936 73 A 3.9551 7.9663 121.5098 54.6699 18.4758 179.6800 74 R 3.7678 7.7555 117.2673 59.9541 29.9756 178.3247 75 K 3.8314 7.6662 116.7842 59.6090 32.3130 178.1650 76 M 4.0500 8.4397 118.1926 59.1337 31.7936 178.7330 77 K 4.0521 8.2237 119.4931 59.3899 32.4163 178.6515 78 D 4.2471 8.3335 119.7175 57.1816 40.6942 178.5318 *81 S 4.4450 7.8309 114.2098 58.6521 65.0500 175.8707 82 E 4.0877 8.1893 119.5626 59.3388 28.9578 179.1505 83 E 4.0278 8.0077 119.1279 59.1978 29.7063 178.4010 84 E 4.0441 8.3121 119.2700 59.0605 29.7194 178.7733 85 I 4.0769 7.9968 120.2941 64.0752 36.9393 178.3363 86 R 4.2954 7.9767 119.0137 59.6425 30.3219 178.1424 87 E 4.1685 8.6681 118.4394 59.2909 29.4612 179.0989 88 A 4.1076 8.5142 121.0731 55.2315 18.4918 179.3149 89 F 3.3482 8.4118 119.0202 61.4571 39.1712 177.6125 90 R 4.0453 7.7598 116.1592 59.1638 29.8393 179.1545 91 V 3.6535 7.4110 111.8227 64.1506 31.5767 178.2844 92 F 4.2974 7.6045 116.2179 59.6874 40.7008 176.6744 93 D 4.8874 7.5187 119.3630 53.1403 37.4902 176.7791 94 K 4.2129 8.2955 119.2216 57.6746 32.6857 177.7695 95 D 4.7489 8.1196 117.0506 52.3437 40.0694 177.3984 96 G 3.9779 8.2649 108.3041 46.0275 0.0000 175.1718 97 N 4.3368 7.9762 116.3743 53.8163 37.0615 176.0822 98 G 3.8715 8.6559 107.1451 45.6443 0.0000 173.3842 99 F 5.3953 8.0521 116.9314 55.7228 42.9447 174.2393 100 I 4.5922 9.0758 124.8961 60.1650 38.5955 175.6675 101 S 4.9594 8.9725 122.2092 56.6217 65.6731 175.3128 102 A 3.9640 8.7080 121.0917 55.4966 18.0200 179.7155 103 A 4.1330 7.9948 118.5666 55.1374 18.3393 179.6001 104 E 3.8956 7.9307 117.0824 59.4789 29.5852 179.0071 105 L 4.1246 8.0497 120.2483 58.4775 42.1440 178.7507 106 R 3.8767 8.5876 118.7010 59.6753 30.0168 177.4666 107 H 4.0249 8.4022 117.7641 59.6800 29.6166 177.3337 108 V 3.5908 7.9625 118.3792 66.1666 31.5876 177.5102 109 M 4.2615 8.5439 118.9036 58.7796 31.8211 178.4513 110 T 4.1889 7.9087 117.0353 66.3003 68.5496 176.0086 111 N 4.4772 7.9484 116.3056 54.8002 38.6470 175.9249 112 L 4.4800 8.0179 121.4228 54.1781 42.8350 175.7269 113 G 3.7854 9.8970 104.9483 46.0933 0.0000 173.9041 114 E 4.4668 7.9159 118.6678 54.7657 32.6247 173.3176 115 K 4.5517 8.6644 126.2976 54.9185 33.0801 175.7831 116 L 5.0164 8.2489 123.4815 52.9388 45.2862 176.4182 117 T 4.4040 8.7257 111.9642 60.3696 70.7848 175.3148 118 D 4.3602 8.8189 120.8877 57.9148 41.0336 178.3587 119 E 3.9801 8.1669 118.1532 59.5334 29.4841 179.1441 120 E 3.9704 8.2176 118.5493 59.2214 29.4841 179.5291 121 V 3.5488 7.8479 118.2079 66.2975 31.4536 177.7382 122 D 4.4436 7.7668 116.9062 57.5696 40.6909 178.5453 123 E 4.1250 8.0847 118.8933 59.4297 29.3331 179.3088 124 M 4.1795 7.9879 119.0292 58.2290 31.8878 179.5408 125 I 4.2960 7.7977 110.7086 61.1794 38.1768 176.3997 126 R 4.5753 8.2747 118.9369 56.4635 31.9719 175.0578 127 E 4.3671 7.8922 112.3213 56.8265 30.2528 176.3756 128 A 4.4346 7.6549 121.3670 53.0016 21.2036 175.6474 129 D 4.6453 8.0524 114.5671 54.8042 40.6092 175.7076 130 I 4.1530 8.8579 128.6900 62.0747 38.4206 176.0160 131 D 4.7746 7.8179 119.6885 57.9793 39.0843 177.2804 132 G 3.9976 7.4505 100.6253 47.6668 0.0000 174.7014 133 D 4.4422 8.4829 121.8438 52.8524 39.7641 177.0584 134 G 3.9176 8.9144 107.8949 45.9793 0.0000 173.1888 135 Q 4.7706 8.0377 115.9457 54.1925 33.5181 174.4075 136 V 4.7269 8.6158 121.6250 61.5325 33.8624 175.0990 137 N 5.5050 9.7196 126.8458 51.7128 39.9605 175.3908 138 Y 3.7191 8.2865 118.3002 60.7152 38.6348 177.7362 139 E 3.8163 8.1935 118.8612 59.4887 29.7575 179.0013 140 E 3.9854 9.0268 118.8778 59.3046 29.5534 179.0826 141 F 4.1896 8.8514 120.9675 61.6087 39.2947 177.3682 142 V 3.3506 7.8803 116.4514 66.1759 31.1987 177.7801 143 T 4.0050 7.3762 114.5112 66.8586 68.3425 175.9246 144 M 4.1756 7.6017 119.6506 58.0006 33.2846 177.6104 145 M 4.1972 7.5697 124.8565 54.7909 30.0872 174.9199 146 T 4.0836 8.2379 111.8616 62.1129 69.8404 175.0159 147 S 3.7020 7.4575 120.7397 56.0688 63.7305 174.0327 148 K 4.0264 8.8770 124.7469 56.0566 32.4894 174.6104 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.25 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 2 D 8.80 4.28 0.00 2.93 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 3 Q 10.00 3.94 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.26 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 4 L 7.14 3.57 0.00 1.76 1.95 1.23 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.23 4.20 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 6 E 8.54 4.16 0.00 2.04 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 2.39 2.28 0.00 7 E 7.93 4.03 0.00 2.05 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 2.24 2.43 0.00 8 Q 7.79 3.80 0.00 1.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 9 I 7.02 3.98 1.87 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 1.68 0.88 1.12 0.00 0.00 10 A 7.39 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 11 E 7.98 4.00 0.00 2.00 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 2.36 2.41 0.00 12 F 8.33 4.88 0.00 3.22 3.43 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 13 K 8.71 4.23 0.00 2.00 1.77 0.00 0.70 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 0.93 7.81 14 E 8.13 3.92 0.00 2.32 2.22 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 2.35 2.42 0.00 15 A 8.61 4.16 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 0.00 0.00 0.00 0.00 0.00 16 F 8.25 3.53 0.00 2.93 3.24 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 17 S 8.30 4.12 0.00 3.97 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 18 L 7.74 4.05 0.00 1.52 1.52 0.88 0.86 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 19 F 7.12 4.37 0.00 2.95 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 20 D 7.77 4.67 0.00 2.23 2.39 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 21 K 8.15 3.92 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.35 7.81 22 D 8.15 4.54 0.00 2.77 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 23 G 7.48 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.69 4.60 0.00 2.82 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 25 G 9.44 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.99 5.13 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 27 I 9.12 5.07 1.72 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 1.04 0.77 0.00 0.00 28 T 8.48 4.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 T 8.49 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 30 K 8.04 3.95 0.00 1.84 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 31 E 8.22 4.05 0.00 2.29 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 0.00 2.32 2.30 0.00 32 L 8.48 4.25 0.00 1.78 1.83 1.01 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 33 G 8.71 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 34 T 7.75 3.86 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 1.19 0.00 0.00 35 V 7.46 3.48 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 0.78 0.00 0.00 0.61 0.00 0.00 36 M 8.23 4.17 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.66 0.00 37 R 8.56 4.19 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 38 S 8.04 4.19 0.00 3.95 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 39 L 7.61 4.46 0.00 1.63 1.66 0.91 1.00 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 40 G 7.94 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 41 Q 8.15 4.41 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 42 N 8.21 5.23 0.00 2.66 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.86 0.00 2.18 2.06 0.00 3.76 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 1.96 1.96 0.00 44 T 8.23 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 1.21 0.00 0.00 45 E 8.51 3.94 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 46 A 8.01 3.98 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 47 E 7.96 3.94 0.00 2.22 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 2.33 2.35 0.00 48 L 7.74 3.99 0.00 1.83 1.72 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.34 4.03 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 D 7.60 4.40 0.00 2.88 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 51 M 7.86 4.18 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 52 I 7.84 3.68 1.97 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 1.51 0.59 0.95 0.00 0.00 53 N 7.87 4.43 0.00 2.73 2.86 0.00 0.00 7.05 7.63 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 54 E 7.85 4.14 0.00 2.09 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 2.59 2.28 0.00 55 V 7.50 4.14 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 0.78 0.00 0.00 0.87 0.00 0.00 56 D 7.61 4.61 0.00 3.05 2.55 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 57 A 8.32 3.96 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 58 D 8.29 4.62 0.00 2.84 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 G 7.84 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 0.00 0.00 0.00 0.00 60 N 8.46 4.47 0.00 2.88 2.96 0.00 0.00 7.03 7.02 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 61 G 9.87 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 0.00 0.00 0.00 62 T 7.69 4.86 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 1.36 0.00 0.00 63 I 8.46 4.70 1.92 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 1.28 0.89 1.07 0.00 0.00 64 D 9.52 5.41 0.00 2.83 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 65 F 8.82 3.59 0.00 2.45 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 66 P 0.00 4.00 0.00 2.27 2.07 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 67 E 8.49 3.88 0.00 2.29 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 0.00 2.32 2.39 0.00 68 F 8.61 4.06 0.00 3.44 3.24 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 69 L 7.97 3.45 0.00 0.87 1.30 1.20 0.78 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 70 T 7.67 3.74 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 1.14 0.00 0.00 71 M 7.38 3.88 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 72 M 7.44 3.65 0.00 0.91 1.09 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.54 0.00 73 A 7.97 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 74 R 7.76 3.77 0.00 1.84 2.01 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 75 K 7.67 3.83 0.00 1.81 1.74 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 76 M 8.44 4.05 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.83 0.00 77 K 8.22 4.05 0.00 2.02 1.94 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 78 D 8.33 4.25 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 S 7.83 4.44 0.00 4.10 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 82 E 8.19 4.09 0.00 2.09 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 2.39 2.64 0.00 83 E 8.01 4.03 0.00 2.13 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 2.33 2.48 0.00 84 E 8.31 4.04 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 2.36 2.47 0.00 85 I 8.00 4.08 2.02 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 1.40 0.93 1.09 0.00 0.00 86 R 7.98 4.30 0.00 2.12 2.26 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 87 E 8.67 4.17 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 2.37 2.71 0.00 88 A 8.51 4.11 1.79 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 0.00 0.00 89 F 8.41 3.35 0.00 3.30 3.24 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 90 R 7.76 4.05 0.00 2.06 1.99 0.00 3.39 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 91 V 7.41 3.65 1.81 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 0.66 0.00 0.00 0.16 0.00 0.00 92 F 7.60 4.30 0.00 2.62 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 D 7.52 4.89 0.00 2.18 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.21 0.00 1.72 1.80 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.42 7.81 95 D 8.12 4.75 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 96 G 8.26 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 97 N 7.98 4.34 0.00 2.93 3.05 0.00 0.00 6.96 7.24 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 98 G 8.66 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 99 F 8.05 5.40 0.00 3.08 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 0.00 100 I 9.08 4.59 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.31 0.79 0.00 0.00 101 S 8.97 4.96 0.00 3.90 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 0.00 102 A 8.71 3.96 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 0.00 103 A 7.99 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.93 3.90 0.00 2.31 2.22 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 2.33 2.32 0.00 105 L 8.05 4.12 0.00 1.86 1.87 0.70 0.73 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 0.00 106 R 8.59 3.88 0.00 2.04 1.93 0.00 3.19 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.40 4.02 0.00 3.28 3.57 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.96 3.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.03 0.00 0.00 109 M 8.54 4.26 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.09 0.00 110 T 7.91 4.19 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 1.18 0.00 0.00 111 N 7.95 4.48 0.00 2.62 2.81 0.00 0.00 7.03 8.02 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 0.00 112 L 8.02 4.48 0.00 1.74 1.90 0.90 0.98 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 0.00 113 G 9.90 3.79 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 0.00 0.00 0.00 114 E 7.92 4.47 0.00 1.98 1.78 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 2.30 2.34 0.00 115 K 8.66 4.55 0.00 1.78 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.44 7.81 116 L 8.25 5.02 0.00 1.60 1.54 0.95 1.07 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 0.00 117 T 8.73 4.40 4.42 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 1.21 0.00 0.00 118 D 8.82 4.36 0.00 2.81 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 0.00 119 E 8.17 3.98 0.00 2.09 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 2.40 2.47 0.00 120 E 8.22 3.97 0.00 2.28 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 2.33 2.32 0.00 121 V 7.85 3.55 2.21 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 1.13 0.00 0.00 1.02 0.00 0.00 122 D 7.77 4.44 0.00 2.84 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 0.00 123 E 8.08 4.13 0.00 2.26 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 2.33 2.49 0.00 124 M 7.99 4.18 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 125 I 7.80 4.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.52 0.89 0.00 0.00 126 R 8.27 4.58 0.00 1.74 2.01 0.00 3.25 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 127 E 7.89 4.37 0.00 2.15 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 2.50 2.35 0.00 128 A 7.65 4.43 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 0.00 129 D 8.05 4.65 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 4.15 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.92 0.00 0.00 131 D 7.82 4.77 0.00 2.87 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 0.00 132 G 7.45 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.48 4.44 0.00 2.60 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 0.00 134 G 8.91 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 0.00 135 Q 8.04 4.77 0.00 1.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 136 V 8.62 4.73 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 1.33 0.00 0.00 0.99 0.00 0.00 137 N 9.72 5.51 0.00 2.77 3.20 0.00 0.00 6.18 7.56 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 0.00 138 Y 8.29 3.72 0.00 2.06 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 0.00 139 E 8.19 3.82 0.00 2.21 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 2.42 2.45 0.00 140 E 9.03 3.99 0.00 2.33 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 0.00 2.38 2.53 0.00 141 F 8.85 4.19 0.00 3.40 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.88 3.35 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 0.75 0.00 0.00 0.10 0.00 0.00 143 T 7.38 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 144 M 7.60 4.18 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 145 M 7.57 4.20 0.00 1.83 1.66 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 146 T 8.24 4.08 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 1.18 0.00 0.00 147 S 7.46 3.70 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.88 4.03 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.22 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.