NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4408 7.8676 121.4015 61.3916 39.2436 175.5777 3 D 4.6627 8.8456 127.4268 51.2390 41.0242 172.9797 4 V 3.8905 8.7548 118.3802 63.0090 31.7152 179.0317 *6 Q 4.4266 8.2765 118.5687 55.6932 30.8873 177.7296 7 I 3.6660 7.9498 118.6176 64.6594 36.9178 178.4260 8 Q 4.2364 7.9967 116.8331 58.3627 28.5292 178.1639 9 E 4.1258 8.2655 119.2217 58.0196 29.6118 178.0647 10 I 3.9150 7.2392 118.2074 62.1453 38.6793 175.9480 11 L 4.2803 7.7340 119.4923 53.7201 42.1730 175.7552 12 P 4.4566 0.0000 0.0000 64.4808 32.0665 176.5146 13 H 4.2721 8.3682 116.5449 56.2710 29.3036 174.4095 14 R 4.8052 8.2276 120.6463 53.7930 33.9996 174.0804 15 Y 4.4546 8.6000 120.2173 57.8373 39.0443 173.6768 16 P 4.0002 0.0000 0.0000 62.6837 31.6611 175.4577 17 F 4.5278 8.4661 119.6154 58.4968 39.9074 174.4116 18 L 4.4417 8.1651 121.8451 53.5728 41.4153 175.2451 19 L 4.6708 8.2115 126.0559 54.1566 42.1391 176.4945 20 V 4.4627 7.5597 117.9605 61.3124 33.6948 174.7980 21 D 4.6084 8.7869 127.3765 56.2115 41.7989 176.7824 22 K 4.4355 7.2618 116.7946 55.2800 35.6794 174.1569 23 I 4.7893 8.5150 127.9690 60.0716 38.0295 175.6772 24 T 4.4000 8.9992 118.4692 63.4162 70.1925 175.2619 25 E 4.7951 7.9676 120.3641 54.8336 34.3886 174.5177 26 L 4.7896 8.4631 125.7682 54.1930 45.0152 174.4151 27 K 4.5367 8.9546 129.4091 54.3256 34.0472 175.9744 28 V 3.7748 8.4933 121.1828 63.1443 31.9888 176.9592 29 K 4.2251 9.3805 121.6180 57.2580 29.8520 175.7135 30 E 4.6805 7.4995 116.7050 56.5386 32.6431 175.0385 31 V 5.0664 8.2812 116.9349 60.4198 35.8593 173.3388 32 V 4.9592 8.4705 121.2484 60.0143 34.9219 173.9169 33 L 5.0070 9.1663 124.0349 53.1178 44.5774 175.8595 34 G 4.7129 8.9218 109.3375 45.7830 0.0000 170.7744 35 Y 5.3262 8.7957 117.5277 55.3280 42.2800 173.7672 36 K 4.9781 8.7507 120.5884 54.5563 35.4060 174.7550 37 N 4.8410 9.7280 125.8886 53.2760 39.4317 174.4541 38 I 4.4114 8.3841 124.7815 59.7122 39.4424 174.8004 39 S 5.0358 8.5785 120.5823 56.2562 66.0948 174.4673 40 I 4.0091 8.4625 116.6682 62.5100 37.3369 176.9519 41 S 4.3314 8.2712 117.4345 60.0281 63.1420 173.5226 42 D 4.7839 8.3017 122.6036 53.1803 41.6277 176.7883 43 H 4.3175 9.0700 122.3250 58.5629 28.9624 176.8651 44 V 3.3991 7.5201 113.7403 64.3574 31.9258 176.9342 45 F 4.4513 7.3659 118.4896 56.9746 36.7101 175.7012 *47 G 3.8638 7.6488 108.7228 45.4804 0.0000 171.4255 48 H 3.6250 8.0758 122.8249 54.7406 28.7642 176.3840 49 F 4.8082 8.0086 118.8873 57.3452 36.0833 171.4189 50 P 4.3101 0.0000 0.0000 64.0901 31.4532 177.0862 51 G 4.0066 9.5619 110.3405 46.3287 0.0000 173.8561 52 H 4.9331 8.3401 119.2793 53.9647 30.7400 169.1209 53 P 4.6838 0.0000 0.0000 62.5279 32.0739 176.6438 54 I 4.9206 8.4510 125.6139 59.1542 40.4765 174.7916 55 Y 4.1177 9.3534 129.7916 56.9290 39.3930 174.1758 56 P 3.8689 0.0000 0.0000 62.4713 32.2099 177.0160 57 G 3.0184 8.5732 110.3924 48.0601 0.0000 175.8120 58 V 3.7450 7.4817 114.2374 64.0831 31.4748 178.4453 59 L 3.9191 7.6470 118.6134 57.2255 41.1248 179.4137 60 I 3.9902 7.4056 119.4612 64.3151 37.1413 177.7931 61 L 4.1244 8.0530 118.2428 58.1204 41.7283 178.9468 62 E 4.0812 8.0949 118.8949 58.7009 29.4747 178.8441 63 G 3.7979 8.1649 106.1883 44.1949 0.0000 175.3249 *65 A 3.3504 8.0001 125.3011 51.5720 20.7725 180.1199 66 Q 3.8417 7.9588 115.1179 59.0963 28.7461 178.7858 67 T 3.8309 7.6172 116.9824 66.7991 68.4589 176.8417 68 G 3.2817 7.7773 106.8627 47.1489 0.0000 175.5978 69 G 3.7760 8.1115 108.2638 47.9211 0.0000 175.7106 70 V 3.7094 7.6088 120.8756 65.4609 31.2980 177.6371 71 L 3.8617 7.4918 118.0344 58.1180 42.1911 178.5106 72 A 3.3769 8.0028 120.7503 55.1447 18.0904 179.7392 73 F 4.4090 8.1903 114.8615 60.1260 38.9631 176.7340 74 E 4.5096 8.0255 116.1144 56.1003 29.9936 176.5471 75 S 4.7055 8.2441 115.7540 58.1957 63.4370 174.7985 *77 E 4.1669 8.1302 117.7884 55.8779 31.4392 174.3518 *82 P 4.3391 0.0000 0.0000 62.2509 32.8241 173.5918 83 K 4.4098 8.1158 118.9948 58.5159 34.7953 176.8711 84 S 3.6262 8.1420 104.5941 60.0965 59.4078 170.6539 85 K 4.6608 7.6955 124.4075 54.8084 34.8080 176.1835 86 V 4.9081 9.1655 119.8523 60.1078 34.9171 175.0967 87 V 4.3521 8.6482 121.8569 61.5349 33.1178 173.7867 88 Y 4.9981 8.4427 130.0338 56.0508 40.6838 174.3948 89 F 4.5638 9.2269 126.4179 57.0730 39.4037 175.4049 90 T 4.0008 8.1731 116.3442 61.9575 69.8515 175.0121 91 G 4.3641 7.7644 108.4093 45.1753 0.0000 171.9328 92 I 5.3411 8.2150 121.4356 59.5967 41.1548 174.4327 93 D 4.7043 9.0879 125.0716 52.6420 45.6024 175.4902 94 G 4.0666 8.6234 107.3933 46.4039 0.0000 173.2728 95 A 4.5373 7.7020 118.9847 51.1461 20.0283 178.4425 96 K 4.3382 8.7831 121.1963 54.4527 36.5732 175.2401 97 F 5.0133 8.5546 122.6083 56.2266 40.4282 174.3468 98 R 4.4212 9.8084 125.5937 56.9930 30.2114 175.4457 99 N 5.1901 7.7715 116.7186 50.3175 42.4573 172.7594 100 P 4.5223 0.0000 0.0000 62.9372 32.4042 175.7399 101 V 4.6065 8.4828 122.1541 61.3847 34.1274 174.5917 102 R 5.0348 9.4724 125.6160 53.2718 34.5601 173.1547 103 P 4.2264 0.0000 0.0000 64.6509 31.6790 176.2588 104 G 4.0548 8.9194 110.7715 45.4996 0.0000 173.8762 105 D 4.5243 8.0568 119.9617 53.9391 42.2491 175.7883 106 R 4.2841 8.3912 123.5254 55.3918 31.0735 175.4260 107 L 4.4032 8.7030 130.4359 54.0269 43.1461 174.8655 108 D 4.9345 9.2759 128.2057 53.7227 42.0657 175.4003 109 Y 5.3152 9.3820 122.3204 56.7953 40.5716 174.7067 110 E 5.3018 9.4173 121.6168 53.4855 34.9177 174.4040 *112 S 4.7993 8.3632 113.7112 58.3378 64.8504 173.2934 113 V 4.2093 8.8533 123.0639 63.3799 31.0409 175.9784 114 V 4.1661 9.0872 122.2449 62.7930 32.9610 176.6275 115 K 4.5727 7.6127 119.7311 54.7384 35.9682 174.5883 116 N 4.4554 8.2733 123.6752 51.6076 41.7325 173.6278 117 R 4.1648 7.8075 125.7130 55.0795 33.5259 176.2489 118 G 3.7415 8.4813 116.5240 46.8465 0.0000 175.1924 119 N 4.5955 8.7369 116.2564 50.7511 36.1929 173.9330 *121 W 4.3832 7.5005 122.8412 57.2169 31.8077 174.9005 122 I 4.9375 8.1272 123.1274 59.6457 40.3091 174.3560 123 F 5.4914 9.5434 126.0622 55.5404 42.2902 174.3862 124 K 4.6527 9.2577 124.8610 55.4163 33.0433 176.0104 125 G 4.4134 9.3533 114.9088 44.6997 0.0000 171.7408 126 Q 5.1079 9.1502 120.5705 53.9993 33.8107 173.6440 127 A 5.2310 8.7236 124.6495 50.3126 22.3063 175.1946 128 F 5.3460 9.1578 118.9764 55.7852 44.0933 174.5176 129 V 4.5602 8.5576 120.0820 61.6943 34.5352 175.0424 130 D 4.4201 9.9803 129.0516 55.4690 38.4178 174.8846 131 G 3.8086 8.5000 104.0820 45.6116 0.0000 173.3900 132 N 4.8867 8.1001 118.4355 50.9865 39.6820 174.4629 133 L 4.1046 8.8199 125.7899 55.4855 42.7761 176.4859 134 V 4.4560 8.6625 118.4784 62.1707 34.6651 175.2974 135 A 5.5286 7.7905 119.5403 51.7719 22.7002 174.8565 136 E 5.0854 7.9863 115.2289 55.6856 33.0873 173.7381 137 A 4.8453 8.5979 120.1434 51.6214 23.6338 174.9467 138 E 5.0774 8.9069 120.1245 55.0279 31.6204 175.2103 139 L 5.2325 9.0847 125.0071 52.9250 44.6203 175.2508 140 K 5.0378 9.3010 125.3286 55.1778 34.1655 174.9420 141 A 4.9605 8.4270 129.0984 49.4183 22.1244 174.2276 *143 I 4.0249 8.3403 114.5212 61.5229 38.8510 176.7880 144 V 4.7431 8.7229 121.8741 59.4548 36.7067 175.6844 145 D 4.5293 8.6167 120.2695 53.7597 39.6379 176.3684 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.87 4.44 1.86 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 1.39 0.65 0.89 0.00 0.00 3 D 8.85 4.66 0.00 2.83 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 4 V 8.75 3.89 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 0.97 0.00 0.00 0.95 0.00 0.00 *6 Q 8.28 4.43 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 7 I 7.95 3.67 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.87 0.00 0.00 8 Q 8.00 4.24 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 9 E 8.27 4.13 0.00 2.08 1.96 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 2.31 2.32 0.00 10 I 7.24 3.91 1.93 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 1.58 0.47 0.85 0.00 0.00 11 L 7.73 4.28 0.00 1.67 1.63 0.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.46 0.00 2.17 2.15 0.00 4.06 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 2.02 2.02 0.00 13 H 8.37 4.27 0.00 3.18 3.53 0.00 5.66 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 14 R 8.23 4.81 0.00 1.84 1.87 0.00 3.42 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 15 Y 8.60 4.45 0.00 2.94 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 16 P 0.00 4.00 0.00 1.89 1.14 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 17 F 8.47 4.53 0.00 2.81 3.01 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 18 L 8.17 4.44 0.00 1.60 1.67 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.21 4.67 0.00 1.50 1.64 0.47 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.56 4.46 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 0.83 0.00 0.00 0.72 0.00 0.00 21 D 8.79 4.61 0.00 2.45 2.58 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 22 K 7.26 4.44 0.00 1.47 0.74 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.51 7.81 23 I 8.52 4.79 1.85 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 1.28 0.72 0.92 0.00 0.00 24 T 9.00 4.40 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 1.42 0.00 0.00 25 E 7.97 4.80 0.00 1.93 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 2.32 2.34 0.00 26 L 8.46 4.79 0.00 1.62 1.53 0.94 0.55 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 27 K 8.95 4.54 0.00 1.93 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.51 1.46 7.81 28 V 8.49 3.77 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 0.80 0.00 0.00 0.98 0.00 0.00 29 K 9.38 4.23 0.00 1.98 2.10 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.54 7.81 30 E 7.50 4.68 0.00 2.40 1.87 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 2.27 2.28 0.00 31 V 8.28 5.07 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 0.77 0.00 0.00 1.00 0.00 0.00 32 V 8.47 4.96 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 0.81 0.00 0.00 1.00 0.00 0.00 33 L 9.17 5.01 0.00 1.57 1.67 1.00 0.76 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 34 G 8.92 4.71 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 0.00 0.00 0.00 35 Y 8.80 5.33 0.00 2.99 3.09 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 0.00 0.00 0.00 36 K 8.75 4.98 0.00 2.17 1.68 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.57 7.81 37 N 9.73 4.84 0.00 2.85 2.78 0.00 0.00 6.93 7.27 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 38 I 8.38 4.41 1.89 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 1.08 0.81 0.95 0.00 0.00 39 S 8.58 5.04 0.00 3.85 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 0.00 40 I 8.46 4.01 1.88 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 1.37 0.53 0.74 0.00 0.00 41 S 8.27 4.33 0.00 3.94 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 42 D 8.30 4.78 0.00 3.01 2.80 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 43 H 9.07 4.32 0.00 3.35 3.51 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.52 3.40 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 0.31 0.00 0.00 0.41 0.00 0.00 45 F 7.37 4.45 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 *47 G 7.65 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.08 3.63 0.00 2.79 2.89 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.01 4.81 0.00 3.48 3.40 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 50 P 0.00 4.31 0.00 2.11 2.10 0.00 3.98 0.00 0.00 3.76 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 51 G 9.56 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 52 H 8.34 4.93 0.00 3.05 3.29 0.00 5.78 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 53 P 0.00 4.68 0.00 1.44 1.80 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 54 I 8.45 4.92 2.14 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 1.32 1.10 1.06 0.00 0.00 55 Y 9.35 4.12 0.00 3.13 2.97 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 56 P 0.00 3.87 0.00 1.65 1.44 0.00 2.40 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 57 G 8.57 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 0.00 0.00 0.00 58 V 7.48 3.75 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 0.91 0.00 0.00 0.80 0.00 0.00 59 L 7.65 3.92 0.00 1.06 1.37 0.34 0.48 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 60 I 7.41 3.99 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.77 1.09 0.00 0.00 61 L 8.05 4.12 0.00 1.83 1.73 1.06 0.86 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 62 E 8.09 4.08 0.00 2.09 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 2.03 2.17 0.00 63 G 8.16 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 0.00 0.00 0.00 *65 A 8.00 3.35 0.58 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 66 Q 7.96 3.84 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.50 0.00 67 T 7.62 3.83 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 1.17 0.00 0.00 68 G 7.78 3.28 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 69 G 8.11 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 0.00 0.00 0.00 70 V 7.61 3.71 2.27 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 0.99 0.00 0.00 0.98 0.00 0.00 71 L 7.49 3.86 0.00 1.66 1.80 0.96 1.05 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 72 A 8.00 3.38 0.77 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 73 F 8.19 4.41 0.00 2.95 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 74 E 8.03 4.51 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 75 S 8.24 4.71 0.00 3.62 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 4.17 0.00 2.02 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 2.26 2.32 0.00 *82 P 0.00 4.34 0.00 2.10 2.10 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 83 K 8.12 4.41 0.00 1.61 1.66 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.46 7.81 84 S 8.14 3.63 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.70 4.66 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 86 V 9.17 4.91 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 0.81 0.00 0.00 1.00 0.00 0.00 87 V 8.65 4.35 1.74 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 0.49 0.00 0.00 -0.06 0.00 0.00 88 Y 8.44 5.00 0.00 3.00 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 89 F 9.23 4.56 0.00 3.09 3.01 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 90 T 8.17 4.00 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 0.73 0.00 0.00 91 G 7.76 4.36 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 0.00 92 I 8.21 5.34 1.89 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 1.37 0.76 0.91 0.00 0.00 93 D 9.09 4.70 0.00 2.58 2.49 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 0.00 94 G 8.62 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 95 A 7.70 4.54 1.04 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 96 K 8.78 4.34 0.00 1.48 1.54 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.44 7.81 97 F 8.55 5.01 0.00 2.96 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 98 R 9.81 4.42 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.21 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 99 N 7.77 5.19 0.00 2.74 2.70 0.00 0.00 6.91 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 0.00 100 P 0.00 4.52 0.00 1.98 2.05 0.00 3.68 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 2.07 2.14 0.00 101 V 8.48 4.61 2.27 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 1.09 0.00 0.00 1.00 0.00 0.00 102 R 9.47 5.03 0.00 1.66 1.67 0.00 3.19 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 103 P 0.00 4.23 0.00 1.79 1.78 0.00 3.36 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.00 104 G 8.92 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 0.00 105 D 8.06 4.52 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.28 0.00 1.66 1.65 0.00 2.21 0.00 0.00 2.44 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 107 L 8.70 4.40 0.00 1.62 1.51 0.85 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.28 4.93 0.00 2.85 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 0.00 109 Y 9.38 5.32 0.00 3.07 2.80 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 0.00 110 E 9.42 5.30 0.00 2.26 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 2.34 2.31 0.00 *112 S 8.36 4.80 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.85 4.21 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 0.91 0.00 0.00 1.27 0.00 0.00 114 V 9.09 4.17 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 0.74 0.00 0.00 0.97 0.00 0.00 115 K 7.61 4.57 0.00 1.69 1.44 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.32 7.81 116 N 8.27 4.46 0.00 1.45 2.11 0.00 0.00 6.72 7.65 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 0.00 117 R 7.81 4.16 0.00 1.54 1.57 0.00 3.33 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 118 G 8.48 3.74 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 0.00 0.00 0.00 119 N 8.74 4.60 0.00 3.13 2.88 0.00 0.00 5.89 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 *121 W 7.50 4.38 0.00 3.10 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 0.00 122 I 8.13 4.94 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.91 0.00 0.00 123 F 9.54 5.49 0.00 3.05 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 0.00 124 K 9.26 4.65 0.00 1.81 1.81 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 125 G 9.35 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 9.15 5.11 0.00 2.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 127 A 8.72 5.23 1.18 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 0.00 128 F 9.16 5.35 0.00 2.97 2.89 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 0.00 129 V 8.56 4.56 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 0.97 0.00 0.00 0.95 0.00 0.00 130 D 9.98 4.42 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 0.00 131 G 8.50 3.81 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 0.00 0.00 0.00 132 N 8.10 4.89 0.00 3.03 2.81 0.00 0.00 6.62 6.25 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 0.00 133 L 8.82 4.10 0.00 1.70 1.61 0.48 0.93 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 0.00 134 V 8.66 4.46 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 0.84 0.00 0.00 0.96 0.00 0.00 135 A 7.79 5.53 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 0.00 136 E 7.99 5.09 0.00 2.08 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 2.16 2.24 0.00 137 A 8.60 4.85 1.16 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 0.00 0.00 0.00 0.00 0.00 138 E 8.91 5.08 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 139 L 9.08 5.23 0.00 2.05 2.07 0.71 0.69 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 0.00 140 K 9.30 5.04 0.00 1.84 1.69 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.34 7.81 141 A 8.43 4.96 0.31 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 0.00 0.00 0.00 *143 I 8.34 4.02 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.20 0.00 0.00 144 V 8.72 4.74 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 0.84 0.00 0.00 0.98 0.00 0.00 145 D 8.62 4.53 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.