NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 I 4.2640 8.0249 114.4120 60.2487 40.1025 175.4805 28 R 4.5467 8.2319 120.4651 53.5231 34.2086 172.4723 29 E 4.5274 9.5385 122.0178 56.8804 30.8055 175.4084 30 H 5.0560 9.0732 121.9970 53.0158 32.0849 173.5173 31 L 5.1584 8.4200 120.6090 52.9608 44.8748 175.8200 32 V 4.8274 9.0119 122.5391 60.1632 35.1284 174.7852 33 S 5.5064 9.2065 118.8717 55.6318 65.9323 171.9093 *35 L 4.4947 8.1234 121.7464 55.0171 43.1508 175.6991 36 V 4.9414 8.8412 119.1533 59.3040 35.6903 174.6319 37 H 4.4759 9.2013 125.7263 56.7350 30.3297 174.0690 38 N 4.9223 8.7004 124.3747 51.2418 37.7693 174.3951 39 K 4.5501 8.2349 121.7013 53.8315 35.9636 173.4285 40 P 4.2233 0.0000 0.0000 64.7924 31.2157 176.7580 41 G 3.9825 9.0033 111.3166 45.3315 0.0000 173.4360 42 V 3.8262 7.4632 118.1650 63.4029 31.5971 177.6615 *44 R 4.2085 8.1122 119.8537 55.8603 31.8621 177.6476 45 K 3.9495 7.8115 116.8943 59.5354 32.0216 179.8851 46 V 3.3797 7.6146 118.6892 64.4075 31.3116 178.0372 47 A 3.9173 7.7684 121.0004 54.9306 18.2593 179.0951 48 N 4.2632 8.0734 114.9310 56.5773 38.4899 177.3466 49 L 4.1707 7.7913 120.0650 58.2944 42.3438 178.6428 50 F 4.8736 8.4271 117.0729 60.1167 39.1648 177.8727 51 A 4.1152 8.5434 123.0247 55.6253 18.2807 180.4375 52 R 4.5648 8.2361 114.4139 56.6830 29.6838 178.9296 53 R 4.2770 7.4537 116.6152 55.3078 32.3884 174.1229 54 G 3.5967 7.8057 103.6217 47.2621 0.0000 173.9274 55 F 4.9751 7.6307 117.0110 55.9366 40.6352 177.3449 56 N 4.6212 8.5454 125.9443 52.1987 37.2611 171.9542 57 I 4.2651 7.7168 120.1480 60.8181 37.5481 176.4085 58 S 4.3823 8.6703 122.7463 60.8539 63.0474 174.7345 59 S 4.6523 7.5730 112.3240 57.0445 65.0082 172.3506 60 I 5.0366 8.0516 125.2767 59.8920 41.1455 173.9889 61 T 4.9325 8.9927 125.1015 61.8674 72.3087 173.3427 62 V 4.8352 7.9451 123.0688 60.6229 34.6296 173.7957 63 G 4.0267 8.3519 109.3594 45.5657 0.0000 172.2535 64 E 4.5099 9.0066 119.5335 56.8178 30.1874 177.5536 65 S 4.9231 7.8625 117.2617 56.4474 65.5741 173.6543 66 E 4.0377 8.7338 116.7990 58.6985 29.8103 176.4773 67 T 4.4931 7.9945 118.2836 60.6015 69.7917 172.1382 68 P 4.4914 0.0000 0.0000 64.2380 31.9582 176.7746 69 G 4.0225 9.2958 110.0351 44.6814 0.0000 172.3460 70 L 5.2617 7.8793 119.9056 53.0471 44.9227 176.2532 71 S 4.9227 8.9455 119.6770 57.5149 65.2767 172.9829 72 R 4.8838 8.8047 122.3627 54.5325 32.8514 174.2265 73 L 5.5598 8.4422 124.9140 52.0669 45.2516 175.2286 74 V 4.7580 8.3338 122.2765 61.4893 34.5405 174.3377 75 I 5.4182 8.2928 128.2399 58.6499 41.5793 174.0365 *77 V 4.2642 8.1707 114.0901 61.8614 33.1891 174.7773 78 K 4.5899 9.0644 127.4958 56.1961 32.9439 176.0305 79 G 4.1698 8.6737 114.4736 46.6910 0.0000 171.4042 80 D 5.1942 7.9999 122.5016 52.5554 41.4695 177.3102 81 D 4.4235 8.6285 119.1757 56.4535 40.0013 174.1181 82 K 4.2960 7.7329 117.8086 56.7972 32.4396 184.1258 83 T 3.9729 8.0305 117.6736 68.3318 68.2838 176.8835 84 I 3.5575 7.4519 121.0218 65.0492 35.5392 179.4491 85 E 4.1378 8.1440 120.2805 59.4494 29.2964 179.2537 86 Q 4.0378 8.1841 117.7553 59.2590 28.8826 179.2228 87 I 3.1660 7.5715 120.4457 64.4994 37.0767 177.4836 88 E 3.6766 8.2030 119.8105 59.2510 29.0856 178.4386 89 K 3.9319 8.5135 120.0414 60.2102 32.2118 178.6071 90 Q 4.2354 8.4458 117.6665 58.6492 28.6528 178.4382 91 A 4.1869 8.5662 122.3646 55.4970 18.3207 179.1345 92 Y 4.5915 7.5384 112.7086 60.3544 37.9989 178.2121 93 K 4.3635 7.7018 117.6730 56.3185 32.8911 176.6322 94 L 4.4199 8.0984 121.6531 53.6648 42.3170 178.3850 95 V 3.7066 8.6252 119.9237 65.0905 31.8822 177.9871 96 E 4.2131 8.1404 117.0077 58.6432 30.8883 180.4440 97 V 4.1502 7.6208 118.4403 63.5220 31.1831 176.0580 98 V 4.5593 8.5955 121.0407 61.4866 34.1368 176.2338 99 K 4.7266 7.9128 119.2644 55.3322 35.0930 174.5753 100 V 4.3894 8.9717 127.9993 61.3729 33.5143 174.8240 101 T 4.5471 9.1687 124.9709 60.9768 70.9256 171.8003 102 P 4.6058 0.0000 0.0000 62.5635 32.1450 176.3381 103 I 4.3658 8.1776 124.6915 59.8019 38.4475 175.5238 104 D 4.3474 9.6618 126.5875 54.2718 41.3658 175.2736 105 P 4.3368 0.0000 0.0000 65.0027 31.9818 176.4171 106 L 4.2150 8.7600 121.2409 53.5643 41.8149 176.1580 107 P 4.4434 0.0000 0.0000 65.2407 31.5705 178.3667 108 E 3.9570 8.2007 117.9238 58.4542 29.8302 176.7514 109 N 4.7748 8.7142 115.2380 53.0207 39.2617 174.2375 110 R 5.0354 7.4086 113.3219 54.3282 33.1550 174.6060 111 V 4.4747 8.1749 112.9340 60.1614 34.2261 175.4069 112 E 5.2495 8.5003 119.7901 55.0415 33.3286 174.8540 113 R 4.8546 9.1585 122.3625 53.9916 35.0781 174.1700 114 E 4.8758 8.9449 123.1377 54.9655 33.5148 173.7873 *116 A 4.5241 8.4737 117.6299 52.1362 20.7412 175.9730 117 L 5.0168 9.1167 121.5204 53.3241 43.9584 175.6935 118 I 4.8629 9.1470 125.4149 59.3171 40.4301 174.5936 119 K 4.7502 9.0276 130.1736 55.6317 33.3845 175.7197 120 V 4.8133 8.4087 121.0779 59.4306 34.7978 175.0394 121 R 4.4565 8.8604 126.1503 55.6126 30.8284 176.0901 122 F 4.7551 8.7305 125.3843 57.5916 39.8586 175.8053 123 D 4.6285 9.4972 121.1128 53.6512 41.3082 174.4130 124 E 3.8921 8.5865 118.8655 56.7386 27.5353 174.8298 125 D 4.9085 7.6060 114.5197 51.5974 40.5520 177.1552 126 K 2.8781 8.0830 121.9262 60.4118 31.8347 178.3567 127 Q 4.0428 7.7158 117.3288 58.6634 28.3265 178.1833 128 E 3.9724 7.9598 119.1339 59.4283 29.6144 179.2200 129 I 3.7121 7.5852 119.7209 64.5718 37.1936 178.6086 130 F 4.6941 8.1294 118.8276 60.6316 38.6290 177.6817 131 Q 4.1193 8.4048 117.8728 58.9726 28.4533 178.8134 132 L 4.1486 8.1362 121.2228 58.1910 42.2036 179.0416 133 V 3.7750 8.2159 118.2107 66.1695 31.4991 177.7539 134 E 4.0290 8.4829 118.1215 59.6935 29.1631 179.3418 135 I 3.7906 7.9114 118.3835 64.2982 37.2839 177.5949 136 F 4.3494 8.7297 115.5975 56.4443 38.9985 175.7305 137 R 3.8162 7.9713 116.5247 57.0881 28.0932 176.7492 138 G 3.9130 7.8366 105.4450 45.5877 0.0000 173.4602 139 K 4.7537 8.5793 119.6902 54.6404 35.8295 175.3914 140 I 4.8221 8.5100 128.1581 60.6921 37.5673 175.4670 141 I 4.4822 8.8616 120.3370 60.7508 39.1840 175.2386 142 D 4.7689 7.7901 122.5270 53.1970 44.5980 173.7972 143 V 5.1522 8.4920 124.7106 61.4237 34.9647 174.3438 144 S 4.8625 8.8900 120.3494 56.6048 66.0290 173.7867 145 R 4.2230 8.7271 117.9170 59.4916 30.0960 178.1416 146 E 4.2065 8.5472 117.7397 58.7105 30.2518 176.0718 147 G 2.6146 6.7302 102.3227 45.6096 0.0000 171.9322 148 A 5.4323 7.6541 120.7471 50.2322 23.4920 175.4712 149 I 4.9948 8.8234 119.6693 59.6620 40.1250 175.1010 150 I 4.9417 8.8670 127.8322 59.5085 40.1321 174.0556 151 E 4.8954 9.1464 128.1946 54.8189 31.2677 174.4543 152 I 4.8169 8.5044 126.7375 59.5010 40.8516 174.3041 153 T 4.8607 9.0876 125.1288 61.1593 71.6892 173.9824 154 G 4.0121 8.3695 109.8747 46.2425 0.0000 171.4854 155 A 4.5681 8.0899 120.8385 52.2941 19.0778 179.2130 156 R 4.0068 8.8342 119.5033 59.6297 30.2764 179.1419 157 S 4.2168 8.0635 112.9557 60.4878 63.0993 176.1881 158 K 4.1657 8.1115 124.1519 59.4020 32.0713 178.7535 159 V 3.6700 7.8326 118.0624 66.1901 31.4571 177.7628 160 E 4.0045 8.6361 118.3148 59.2655 29.1438 178.8728 161 A 4.0536 7.7407 119.3269 55.2337 18.7082 179.2412 162 F 3.2732 8.3709 118.8705 61.2750 39.3035 177.1447 163 I 3.5274 7.8068 119.3358 64.7841 36.7491 178.1570 164 N 4.3391 8.2984 115.8699 55.6028 38.4388 176.7845 165 L 4.1039 7.2066 118.7044 55.0193 42.2496 177.1784 166 L 4.0768 6.4809 119.4020 52.9382 42.5163 174.9166 167 P 4.3155 0.0000 0.0000 62.7081 31.6339 177.4647 168 Q 3.9345 8.7363 123.3589 58.4362 28.8855 178.5852 169 K 4.0709 8.0047 115.6224 58.8383 32.9691 177.3139 170 Q 4.3027 8.1167 118.1299 55.5252 29.3624 175.0537 171 V 4.2873 7.3865 119.5183 62.3162 31.5197 175.0904 172 E 4.3682 9.1211 128.1573 58.4607 30.5609 176.6638 173 E 4.7790 7.7014 117.5491 55.2012 33.2647 174.2223 174 I 5.1400 8.2879 125.3217 59.7026 41.2774 174.2915 175 A 4.7737 9.1148 128.1125 50.2178 21.8997 174.9979 176 R 5.0075 8.5920 120.7048 54.5614 34.1299 175.4335 177 T 4.4052 8.5090 112.4437 60.2778 70.9658 175.4642 178 G 3.9318 8.0774 111.4828 45.3993 0.0000 172.4259 179 I 4.2966 7.8415 122.0861 61.0739 38.0306 176.2324 180 V 4.3541 8.7593 120.5543 60.2641 33.5096 175.1514 181 A 5.6467 8.0020 124.6654 50.0503 22.8192 174.5363 *183 N 4.5855 8.5299 114.6151 53.1027 39.5545 175.6006 184 R 4.1655 8.7688 122.0660 55.7311 31.1398 176.6895 185 W 4.2436 8.7282 120.7977 56.9759 29.7431 176.1433 186 N 4.4336 9.2764 124.2890 54.2732 38.6601 176.1837 187 V 4.0903 8.3824 119.0076 60.8829 32.4992 172.5738 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 27 I 8.02 4.26 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 1.45 1.14 0.92 0.00 0.00 28 R 8.23 4.55 0.00 1.62 1.65 0.00 3.23 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 29 E 9.54 4.53 0.00 1.75 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 0.00 2.23 1.91 0.00 30 H 9.07 5.06 0.00 2.92 3.16 0.00 5.57 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.42 5.16 0.00 1.55 1.51 0.91 0.81 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 32 V 9.01 4.83 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 0.73 0.00 0.00 0.91 0.00 0.00 33 S 9.21 5.51 0.00 3.83 3.73 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 *35 L 8.12 4.49 0.00 1.96 1.59 0.95 0.83 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 36 V 8.84 4.94 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 0.59 0.00 0.00 0.89 0.00 0.00 37 H 9.20 4.48 0.00 3.08 3.25 0.00 5.93 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 38 N 8.70 4.92 0.00 2.70 2.79 0.00 0.00 6.80 6.65 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 39 K 8.23 4.55 0.00 1.84 1.75 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 40 P 0.00 4.22 0.00 2.04 2.08 0.00 3.61 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 2.03 2.11 0.00 41 G 9.00 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 42 V 7.46 3.83 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 0.94 0.00 0.00 0.96 0.00 0.00 *44 R 8.11 4.21 0.00 1.89 2.12 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 45 K 7.81 3.95 0.00 2.02 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 46 V 7.61 3.38 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 0.73 0.00 0.00 0.13 0.00 0.00 47 A 7.77 3.92 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 48 N 8.07 4.26 0.00 3.08 2.90 0.00 0.00 6.67 6.85 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 49 L 7.79 4.17 0.00 1.73 1.98 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.43 4.87 0.00 3.24 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 51 A 8.54 4.12 1.41 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 52 R 8.24 4.56 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 53 R 7.45 4.28 0.00 1.74 1.04 0.00 3.22 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.00 54 G 7.81 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.63 4.98 0.00 3.11 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 56 N 8.55 4.62 0.00 2.77 2.91 0.00 0.00 7.22 8.19 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 57 I 7.72 4.27 1.96 0.00 0.00 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 1.50 0.96 1.01 0.00 0.00 58 S 8.67 4.38 0.00 3.87 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 59 S 7.57 4.65 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.05 5.04 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.91 0.00 0.00 61 T 8.99 4.93 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 1.20 0.00 0.00 62 V 7.95 4.84 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 0.64 0.00 0.00 0.90 0.00 0.00 63 G 8.35 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 0.00 0.00 0.00 64 E 9.01 4.51 0.00 1.86 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 2.31 2.31 0.00 65 S 7.86 4.92 0.00 3.90 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 66 E 8.73 4.04 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 67 T 7.99 4.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 68 P 0.00 4.49 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 69 G 9.30 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 0.00 0.00 0.00 70 L 7.88 5.26 0.00 1.60 1.55 0.94 0.83 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 71 S 8.95 4.92 0.00 3.74 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 72 R 8.80 4.88 0.00 1.82 1.71 0.00 3.01 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 73 L 8.44 5.56 0.00 1.60 1.48 0.87 0.85 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 74 V 8.33 4.76 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 1.12 0.00 0.00 0.91 0.00 0.00 75 I 8.29 5.42 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 1.05 0.00 0.00 *77 V 8.17 4.26 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 0.58 0.00 0.00 0.80 0.00 0.00 78 K 9.06 4.59 0.00 1.72 1.74 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 79 G 8.67 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 0.00 0.00 0.00 80 D 8.00 5.19 0.00 2.84 2.86 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 81 D 8.63 4.42 0.00 2.72 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 82 K 7.73 4.30 0.00 1.55 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.28 7.81 83 T 8.03 3.97 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 1.10 0.00 0.00 84 I 7.45 3.56 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 1.64 0.73 0.91 0.00 0.00 85 E 8.14 4.14 0.00 2.20 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 2.40 2.49 0.00 86 Q 8.18 4.04 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 87 I 7.57 3.17 1.71 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.59 0.00 0.00 88 E 8.20 3.68 0.00 2.15 2.15 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 2.50 2.44 0.00 89 K 8.51 3.93 0.00 1.80 2.08 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 90 Q 8.45 4.24 0.00 2.30 2.31 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 2.85 2.73 0.00 91 A 8.57 4.19 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 92 Y 7.54 4.59 0.00 3.03 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 93 K 7.70 4.36 0.00 1.82 1.92 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.81 7.81 94 L 8.10 4.42 0.00 1.81 1.61 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.63 3.71 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 0.68 0.00 0.00 0.95 0.00 0.00 96 E 8.14 4.21 0.00 1.66 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 1.88 0.00 97 V 7.62 4.15 2.38 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 0.71 0.00 0.00 0.91 0.00 0.00 98 V 8.60 4.56 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 0.84 0.00 0.00 1.03 0.00 0.00 99 K 7.91 4.73 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.51 7.81 100 V 8.97 4.39 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 0.69 0.00 0.00 0.18 0.00 0.00 101 T 9.17 4.55 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 1.18 0.00 0.00 102 P 0.00 4.61 0.00 1.91 1.95 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 103 I 8.18 4.37 1.99 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 1.08 0.34 0.89 0.00 0.00 104 D 9.66 4.35 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.22 2.19 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 106 L 8.76 4.21 0.00 1.89 1.65 0.92 1.01 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 0.00 107 P 0.00 4.44 0.00 2.18 2.10 0.00 3.60 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 2.11 2.07 0.00 108 E 8.20 3.96 0.00 2.19 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 2.29 1.90 0.00 109 N 8.71 4.77 0.00 3.02 2.86 0.00 0.00 6.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.41 5.04 0.00 1.98 1.84 0.00 3.01 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 111 V 8.17 4.47 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 0.87 0.00 0.00 0.93 0.00 0.00 112 E 8.50 5.25 0.00 1.69 1.65 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 2.11 1.88 0.00 113 R 9.16 4.85 0.00 1.65 1.78 0.00 3.20 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 114 E 8.94 4.88 0.00 1.98 1.77 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 2.20 2.35 0.00 *116 A 8.47 4.52 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 0.00 117 L 9.12 5.02 0.00 1.57 1.60 0.92 0.96 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 0.00 118 I 9.15 4.86 2.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.96 0.00 0.00 119 K 9.03 4.75 0.00 1.81 1.74 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 120 V 8.41 4.81 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 0.72 0.00 0.00 0.89 0.00 0.00 121 R 8.86 4.46 0.00 1.80 1.74 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 122 F 8.73 4.76 0.00 2.93 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 0.00 123 D 9.50 4.63 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 3.89 0.00 2.15 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 2.21 2.22 0.00 125 D 7.61 4.91 0.00 2.77 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 0.00 126 K 8.08 2.88 0.00 1.46 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 135 I 7.91 3.79 2.25 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.61 0.83 0.00 0.00 136 F 8.73 4.35 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.97 3.82 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 138 G 7.84 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 0.00 0.00 0.00 139 K 8.58 4.75 0.00 1.83 1.59 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 140 I 8.51 4.82 1.88 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 1.40 0.69 1.01 0.00 0.00 141 I 8.86 4.48 1.88 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 1.24 0.67 0.92 0.00 0.00 142 D 7.79 4.77 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 5.15 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 1.26 0.00 0.00 1.00 0.00 0.00 144 S 8.89 4.86 0.00 3.97 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 0.00 145 R 8.73 4.22 0.00 1.89 2.12 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 146 E 8.55 4.21 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 2.31 2.12 0.00 147 G 6.73 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 0.00 0.00 0.00 148 A 7.65 5.43 1.42 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 0.00 0.00 0.00 149 I 8.82 4.99 1.88 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 1.22 0.78 0.92 0.00 0.00 150 I 8.87 4.94 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 0.91 0.00 0.00 151 E 9.15 4.90 0.00 2.00 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 2.21 2.22 0.00 152 I 8.50 4.82 1.40 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.78 0.00 0.00 153 T 9.09 4.86 4.23 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 1.28 0.00 0.00 154 G 8.37 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 0.00 155 A 8.09 4.57 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 0.00 156 R 8.83 4.01 0.00 1.97 1.96 0.00 3.19 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 157 S 8.06 4.22 0.00 4.13 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 0.00 158 K 8.11 4.17 0.00 1.95 2.09 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.70 1.76 7.81 159 V 7.83 3.67 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.02 0.00 0.00 160 E 8.64 4.00 0.00 2.23 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 2.35 2.35 0.00 161 A 7.74 4.05 1.61 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 0.00 0.00 162 F 8.37 3.27 0.00 2.49 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 0.00 163 I 7.81 3.53 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.66 0.88 0.00 0.00 164 N 8.30 4.34 0.00 2.62 2.84 0.00 0.00 7.12 7.43 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 0.00 165 L 7.21 4.10 0.00 1.42 1.52 1.00 1.00 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 0.00 166 L 6.48 4.08 0.00 1.41 1.43 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.32 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 168 Q 8.74 3.93 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 169 K 8.00 4.07 0.00 1.84 1.92 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.44 7.81 170 Q 8.12 4.30 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 171 V 7.39 4.29 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 0.74 0.00 0.00 0.92 0.00 0.00 172 E 9.12 4.37 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 173 E 7.70 4.78 0.00 1.99 1.71 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 2.28 2.32 0.00 174 I 8.29 5.14 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 1.29 0.77 0.93 0.00 0.00 175 A 9.11 4.77 1.20 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 0.00 0.00 0.00 176 R 8.59 5.01 0.00 1.65 1.79 0.00 3.32 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 177 T 8.51 4.41 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 0.00 178 G 8.08 3.93 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 0.00 0.00 0.00 179 I 7.84 4.30 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 1.23 0.86 0.91 0.00 0.00 180 V 8.76 4.35 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 0.98 0.00 0.00 181 A 8.00 5.65 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 *183 N 8.53 4.59 0.00 2.54 2.73 0.00 0.00 6.87 7.66 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 0.00 184 R 8.77 4.17 0.00 1.84 1.94 0.00 3.34 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 185 W 8.73 4.24 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 N 9.28 4.43 0.00 2.83 2.85 0.00 0.00 6.70 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 0.00 187 V 8.38 4.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.