NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 49 R 4.3175 8.3545 119.0729 55.5553 31.9604 176.3074 50 R 4.4476 7.6682 114.6501 53.2826 30.1230 179.6238 51 P 4.2102 0.0000 0.0000 63.2884 31.0634 179.0874 52 S 4.9456 8.1883 116.0786 59.9122 66.3632 178.6295 53 D 4.8243 7.9356 115.0876 57.5720 45.3175 173.7761 *54 Y 4.6252 7.8957 115.2307 56.5917 36.6198 177.5041 55 A 4.7117 8.0209 124.5753 52.5428 21.0535 180.3494 56 V 3.7739 8.0306 119.0305 66.3263 31.8392 184.4128 57 R 4.2147 8.1776 123.7553 62.2373 29.0487 181.1567 58 L 4.4591 8.0147 124.9235 59.6149 40.8918 181.7377 59 R 4.2144 7.8668 122.4187 62.2285 29.3502 183.2295 60 E 4.3379 8.6574 120.8107 61.5676 29.6836 183.1632 61 K 4.3791 7.8115 124.4464 60.2589 31.5481 183.2432 62 Q 4.2485 8.1449 122.8593 61.0720 28.2731 182.5542 63 K 4.4026 8.0449 127.7530 60.2534 31.6593 181.9899 64 L 4.3117 7.8930 124.4421 58.9506 41.2368 180.8765 65 R 4.7751 8.0671 119.8601 59.5066 29.8676 183.1841 66 R 4.7655 7.8203 116.6991 57.3786 30.3889 183.3566 67 I 3.8869 7.5991 118.2347 63.5637 35.9265 181.6019 *68 Y 4.4247 7.6973 117.2808 55.8146 37.8119 177.8707 69 G 3.6407 8.0501 108.5231 47.9719 0.0000 175.7983 70 I 4.2264 7.4041 116.5065 58.7307 36.9414 179.3466 71 S 4.5943 8.4650 128.3407 59.3499 64.2646 172.1724 72 E 4.2673 8.7038 122.4789 62.8894 29.4058 180.5850 73 R 4.1475 8.1980 122.1651 60.7997 29.4734 179.8753 74 Q 4.8610 7.9814 118.8432 58.1405 30.0272 183.2903 *75 F 4.3857 8.0429 122.8844 62.9497 38.5959 184.5376 76 R 4.2241 8.6988 124.6663 61.6784 29.2946 181.0830 77 N 4.5837 8.2680 122.4214 58.1435 37.4235 179.5223 78 L 4.3183 7.3429 126.1664 59.6625 41.1806 181.5282 *79 F 4.4622 7.9215 122.9699 62.8243 38.0795 180.8362 80 E 4.3347 8.3558 121.7164 61.1303 29.3150 180.7000 81 E 4.4615 8.0792 115.3966 59.1641 30.4153 180.7131 82 A 4.7164 7.9779 122.1941 54.9584 19.3070 179.5141 83 S 4.3733 7.4590 112.7535 59.5862 61.7649 180.8699 84 K 4.1804 7.5436 124.7578 58.6360 31.9722 182.6520 85 K 4.1361 7.8278 123.4227 54.9814 32.2650 181.0597 86 K 4.3906 8.4784 126.2927 52.4390 30.4520 174.7893 87 G 4.0225 8.2268 117.2120 45.1208 0.0000 170.0515 88 V 3.2115 7.8109 124.8155 61.2629 29.8337 175.4496 89 T 4.0375 8.6747 122.2070 65.0138 68.2325 173.2241 90 G 3.9850 8.0876 108.4829 48.7502 0.0000 176.6758 91 S 4.2235 8.1057 123.6698 63.6939 62.2871 179.1343 92 V 3.9569 8.2518 126.1177 66.2492 31.2844 180.8630 *93 F 4.3408 7.8883 121.9839 62.8675 37.9738 181.8768 94 L 4.3278 7.9699 122.9889 59.0842 40.5276 180.9025 95 G 4.0859 7.7593 108.2403 48.6831 0.0000 176.0103 96 L 4.3019 7.9089 126.9746 59.3590 40.7893 181.5952 97 L 4.3636 7.8019 123.1907 59.7234 41.1836 182.5319 98 E 4.6259 8.1823 118.1602 60.9322 29.8932 183.7397 99 S 4.6208 8.0093 119.3311 62.2500 62.4154 179.4417 100 R 4.2017 7.3117 120.9338 57.8303 29.9241 183.3079 101 L 4.1083 8.9705 129.3565 59.5925 39.9315 176.8936 102 D 4.9727 8.3750 124.0093 58.3532 39.4082 180.4540 103 N 4.6009 7.9622 120.0275 58.2967 38.1212 183.3669 104 V 3.5121 8.3797 124.7181 66.6403 31.5664 181.6997 105 V 3.9464 8.5942 121.6892 66.6494 29.9582 181.8049 *106 Y 4.3800 7.4396 123.3129 61.9940 36.7697 181.0011 107 R 4.1056 8.7139 125.1617 62.1438 29.5542 181.3723 108 L 4.4080 7.4497 121.9639 60.0574 41.8653 178.8018 109 G 3.2960 6.4724 108.8690 46.1083 0.0000 174.6204 *110 F 4.5698 8.3597 116.5820 56.2545 39.8868 176.9889 111 A 4.6917 7.6670 122.3640 52.7116 21.8035 175.6284 112 V 4.2734 8.5094 113.5047 62.4446 34.5172 171.6527 113 S 4.6718 7.5852 115.7180 56.6319 66.4790 178.7576 114 R 4.0680 8.8515 120.5256 63.9510 28.9848 175.9419 115 R 4.2171 8.1482 123.7989 61.9318 29.2954 180.8996 116 Q 4.1891 8.1605 120.9046 60.1430 28.0587 180.6026 117 A 4.2151 7.9517 124.9806 55.7011 18.0401 180.4568 118 R 3.9989 8.6131 121.9880 62.1396 29.2493 181.3654 119 Q 4.2046 8.2166 122.1588 60.9132 28.2535 182.0935 120 L 4.2542 7.9743 125.9007 60.4263 40.9431 182.3702 121 V 4.0344 7.9948 121.8814 66.5865 31.5319 181.8454 122 R 3.9676 7.5032 119.4293 58.8653 29.3290 179.9555 *123 H 4.5272 8.1110 110.6284 54.0550 28.2213 178.6800 124 G 3.8860 9.0088 114.8342 47.7544 0.0000 173.7805 *125 H 4.9474 8.2432 122.3036 54.9770 32.4011 171.9793 126 I 4.8930 7.9525 119.7674 60.6887 38.4476 181.0801 127 T 4.9478 9.2904 123.2116 59.3229 70.6963 171.2536 128 V 4.1848 8.8191 129.9746 61.5350 33.0209 175.6481 129 N 4.1390 10.0167 123.7131 52.4510 35.4016 171.2546 130 G 3.9209 8.9698 106.4952 47.6000 0.0000 175.1409 131 R 4.5600 7.9881 119.6968 54.2823 33.1711 178.4541 132 R 4.6094 8.8414 124.0181 56.7558 30.0822 174.8938 133 V 4.4646 8.9359 120.7048 59.4903 32.5811 174.7638 134 D 5.0776 8.3269 124.7291 53.5119 39.9052 176.7261 135 L 4.9672 7.6672 122.1273 53.3709 43.7885 179.1740 136 P 4.4505 0.0000 0.0000 64.4755 31.0426 175.4417 137 S 4.3668 8.1820 114.1693 60.7263 62.2382 178.8029 *138 Y 4.1991 7.5353 119.6929 58.2451 37.1567 181.9256 139 R 4.6458 8.2207 121.3152 56.2514 32.1636 177.0547 140 V 3.9541 8.2325 126.1124 61.3026 32.1404 173.6591 141 R 4.8345 8.4737 125.2986 53.9386 34.3511 172.6137 142 P 4.3668 0.0000 0.0000 65.2460 30.8713 177.1030 143 G 4.0874 8.4956 112.3724 44.9147 0.0000 173.5963 144 D 5.2170 7.9152 121.2092 52.5998 44.1939 181.0003 145 E 5.0932 8.6339 117.3118 56.1016 34.9118 176.2074 146 I 4.7340 9.2064 122.3080 59.1492 37.4540 175.3257 147 A 5.3035 8.5948 130.9065 48.9364 22.6277 175.6019 148 V 4.7753 7.4543 119.6227 59.4943 32.8117 176.8506 149 A 4.0858 8.6560 127.9148 52.5578 19.2274 179.2417 150 E 3.7340 9.0632 117.7844 59.6102 30.1855 180.6608 151 K 4.0618 8.1414 122.7326 57.9949 32.4626 180.7633 152 S 4.6184 7.3826 118.9941 58.4019 60.8358 176.7680 153 R 4.4991 7.6452 125.8362 58.7615 32.1921 179.8230 154 N 4.5958 8.2782 115.2671 53.5220 38.0068 178.4962 155 L 4.1782 7.6746 124.4212 58.2749 42.2328 183.7113 156 E 4.2558 8.9953 125.9517 61.0966 29.8789 177.3508 157 L 4.3740 8.1146 124.9949 58.9871 41.0053 181.3033 158 I 4.3323 7.2602 120.2396 65.8224 35.8498 184.0239 159 R 4.3961 8.3684 123.4377 60.6520 29.2259 180.4355 160 Q 4.6920 8.0078 121.3239 60.4826 28.8883 182.9888 161 N 4.9291 7.5842 115.7346 53.1976 37.4360 178.0132 162 L 4.4057 7.8605 119.9284 56.5752 41.3922 182.1358 163 E 4.4707 7.8131 112.7352 57.2061 30.6511 183.6946 164 A 4.0373 8.1392 121.9464 56.8163 19.0425 179.2811 165 M 4.0272 8.3760 116.1843 58.3531 31.3596 181.4934 166 K 3.7972 8.0090 116.6415 53.5626 30.5628 176.4938 167 G 3.9255 7.9759 110.7749 47.7402 0.0000 172.8069 168 R 4.7612 8.2923 123.6559 57.6034 37.3414 174.5969 169 K 4.6035 7.7255 118.3382 54.7384 35.3096 177.6684 170 V 4.3938 8.0621 115.0253 59.6502 35.3727 174.3736 171 G 3.8130 8.8353 111.2341 46.8304 0.0000 173.0715 172 P 4.2170 0.0000 0.0000 65.4470 30.7761 174.1258 *173 W 4.4777 8.0981 119.5283 56.4019 28.2143 177.9665 174 L 4.8075 8.3844 123.4669 54.8603 43.4154 181.6548 175 S 4.5383 8.9045 127.6399 57.6655 62.5306 170.8743 176 L 4.9561 8.4710 130.2212 53.4182 42.8430 173.7383 177 D 5.1274 8.4872 123.2005 52.5105 43.8248 177.5982 178 V 4.1913 8.4446 120.8484 60.8095 34.0707 179.4336 179 E 3.9441 9.3856 116.7386 57.9406 28.0015 174.8022 180 G 3.6811 9.3913 110.1101 48.2629 0.0000 170.6690 181 M 3.9358 8.2917 127.1142 54.2307 30.9136 179.8089 182 K 5.6541 7.6865 128.8022 51.9016 32.1034 173.1790 183 G 3.7068 8.2692 112.8472 47.6290 0.0000 172.3190 184 K 4.8224 9.1557 133.7588 54.1206 33.4823 173.6279 *185 F 4.2096 8.8653 128.9551 56.8438 37.3048 173.4233 186 L 4.0740 8.6072 130.4878 57.3212 41.6095 175.8762 187 R 4.8022 7.7452 117.7865 55.5075 33.6375 178.4884 188 L 4.1188 8.5826 121.8476 54.6087 41.5384 176.9499 189 P 4.6871 0.0000 0.0000 63.0189 31.8254 176.9975 190 D 4.9344 8.2323 115.5692 53.1704 43.5256 175.6723 191 R 4.0078 8.8674 122.3164 59.4672 29.4157 178.5350 192 E 4.2098 8.2131 112.9357 59.2860 30.3809 182.7935 193 D 4.7906 8.2055 118.1602 52.9468 41.0819 182.4198 194 L 4.3300 7.2650 120.0962 53.2574 43.8521 178.7553 195 A 3.7922 8.7665 131.6297 51.4648 17.8287 175.9170 196 L 4.6466 8.4278 115.9493 56.2533 44.0655 172.1454 197 P 4.6561 0.0000 0.0000 61.4230 30.5555 177.9362 198 V 2.9989 8.4184 115.6095 65.6370 31.0397 169.6049 199 N 4.3684 8.0246 108.8775 52.8754 41.1220 171.8148 200 E 4.1620 8.7589 126.0409 60.9045 29.7007 176.5041 201 Q 4.3729 8.3014 122.0144 59.8280 28.5217 180.4262 202 L 4.8596 7.8869 122.7754 58.8658 42.7551 185.0000 203 V 4.1683 7.6950 120.4788 66.1466 31.6097 181.9802 204 I 4.2440 7.9923 115.9568 61.9776 35.7924 180.7915 205 E 4.5566 7.8251 116.5358 58.0382 31.4651 184.3464 *206 F 4.1983 8.0115 121.5235 63.5741 37.7892 183.1871 *207 Y 4.3704 7.9373 121.9509 62.0247 36.7974 180.3046 208 S 4.5552 7.8117 119.5438 64.0477 62.3815 179.9469 209 R 4.3279 7.5815 122.5205 56.8370 29.1025 180.4136 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 49 R 8.35 4.32 0.00 1.85 1.92 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 50 R 7.67 4.45 0.00 1.87 1.74 0.00 3.25 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.26 0.00 51 P 0.00 4.21 0.00 2.08 1.75 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 52 S 8.19 4.95 0.00 3.71 3.75 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 53 D 7.94 4.82 0.00 2.54 2.60 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 *54 Y 7.90 4.63 0.00 2.33 2.19 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 55 A 8.02 4.71 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 56 V 8.03 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 57 R 8.18 4.21 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 58 L 8.01 4.46 0.00 1.65 1.70 0.92 0.91 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 59 R 7.87 4.21 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 60 E 8.66 4.34 0.00 1.95 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 2.24 2.19 0.00 61 K 7.81 4.38 0.00 1.81 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 62 Q 8.14 4.25 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 63 K 8.04 4.40 0.00 1.71 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 64 L 7.89 4.31 0.00 1.77 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.07 4.78 0.00 1.82 1.94 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 66 R 7.82 4.77 0.00 1.77 1.80 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 67 I 7.60 3.89 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 1.27 1.10 0.91 0.00 0.00 *68 Y 7.70 4.42 0.00 2.31 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 0.00 0.00 0.00 69 G 8.05 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 0.00 0.00 0.00 70 I 7.40 4.23 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 1.16 0.81 0.91 0.00 0.00 71 S 8.47 4.59 0.00 3.73 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 72 E 8.70 4.27 0.00 1.97 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 2.31 1.94 0.00 73 R 8.20 4.15 0.00 1.90 1.88 0.00 3.18 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 74 Q 7.98 4.86 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 *75 F 8.04 4.39 0.00 2.28 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 0.00 0.00 0.00 0.00 76 R 8.70 4.22 0.00 1.77 1.96 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 77 N 8.27 4.58 0.00 2.72 2.86 0.00 0.00 6.98 6.67 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 78 L 7.34 4.32 0.00 1.76 1.62 0.92 0.82 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 *79 F 7.92 4.46 0.00 2.26 2.33 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 80 E 8.36 4.33 0.00 1.99 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 2.24 2.19 0.00 81 E 8.08 4.46 0.00 2.08 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 2.25 2.19 0.00 82 A 7.98 4.72 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 83 S 7.46 4.37 0.00 3.78 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.54 4.18 0.00 1.79 1.68 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.25 7.81 85 K 7.83 4.14 0.00 1.77 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 86 K 8.48 4.39 0.00 1.77 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 G 8.23 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 88 V 7.81 3.21 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 0.69 0.00 0.00 0.93 0.00 0.00 89 T 8.67 4.04 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 90 G 8.09 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 91 S 8.11 4.22 0.00 3.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.25 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *93 F 7.89 4.34 0.00 2.24 2.33 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 94 L 7.97 4.33 0.00 1.64 1.71 0.92 0.77 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 95 G 7.76 4.09 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 0.00 0.00 0.00 96 L 7.91 4.30 0.00 1.63 1.68 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.80 4.36 0.00 1.78 1.62 0.92 0.72 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 98 E 8.18 4.63 0.00 1.99 1.97 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 2.19 2.18 0.00 99 S 8.01 4.62 0.00 3.77 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 0.00 100 R 7.31 4.20 0.00 1.84 1.87 0.00 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0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 109 G 6.47 3.30 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 *110 F 8.36 4.57 0.00 2.26 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 0.00 0.00 0.00 111 A 7.67 4.69 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 0.00 112 V 8.51 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 113 S 7.59 4.67 0.00 3.59 3.72 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 0.00 114 R 8.85 4.07 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 115 R 8.15 4.22 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 116 Q 8.16 4.19 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 117 A 7.95 4.22 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 0.00 118 R 8.61 4.00 0.00 1.78 1.98 0.00 3.26 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 119 Q 8.22 4.20 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 120 L 7.97 4.25 0.00 1.73 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.99 4.03 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 0.71 0.00 0.00 0.93 0.00 0.00 122 R 7.50 3.97 0.00 1.75 1.91 0.00 3.19 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 *123 H 8.11 4.53 0.00 2.95 2.98 0.00 7.31 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 H 8.24 4.95 0.00 2.55 2.98 0.00 7.16 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.95 4.89 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 1.20 0.63 0.91 0.00 0.00 127 T 9.29 4.95 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 0.00 128 V 8.82 4.18 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 0.61 0.00 0.00 0.93 0.00 0.00 129 N 10.02 4.14 0.00 2.84 2.78 0.00 0.00 7.13 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 0.00 130 G 8.97 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 0.00 131 R 7.99 4.56 0.00 1.72 1.74 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 132 R 8.84 4.61 0.00 1.82 1.77 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 133 V 8.94 4.46 2.08 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 142 P 0.00 4.37 0.00 2.08 1.90 0.00 3.68 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 1.95 1.62 0.00 143 G 8.50 4.09 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 0.00 0.00 0.00 144 D 7.92 5.22 0.00 2.38 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 0.00 145 E 8.63 5.09 0.00 1.59 1.76 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 2.20 1.85 0.00 146 I 9.21 4.73 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 1.16 0.62 0.91 0.00 0.00 147 A 8.59 5.30 1.21 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 0.00 0.00 0.00 148 V 7.45 4.78 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 0.73 0.00 0.00 0.93 0.00 0.00 149 A 8.66 4.09 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 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0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.90 4.54 0.00 3.45 3.82 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 0.00 176 L 8.47 4.96 0.00 1.42 1.47 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.49 5.13 0.00 2.32 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 8.44 4.19 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 0.67 0.00 0.00 0.93 0.00 0.00 179 E 9.39 3.94 0.00 2.13 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 0.00 2.13 1.85 0.00 180 G 9.39 3.68 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 0.00 0.00 0.00 181 M 8.29 3.94 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 182 K 7.69 5.65 0.00 1.47 1.58 0.00 1.69 0.00 0.00 2.37 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.85 7.81 183 G 8.27 3.71 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 0.00 184 K 9.16 4.82 0.00 1.43 1.70 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.25 7.81 *185 F 8.87 4.21 0.00 1.99 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 0.00 0.00 0.00 186 L 8.61 4.07 0.00 1.43 1.60 0.92 0.78 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 0.00 187 R 7.75 4.80 0.00 1.58 1.65 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 188 L 8.58 4.12 0.00 1.66 1.49 0.92 0.82 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 0.00 189 P 0.00 4.69 0.00 2.08 1.89 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 190 D 8.23 4.93 0.00 2.52 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 0.00 191 R 8.87 4.01 0.00 1.82 1.90 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 192 E 8.21 4.21 0.00 1.98 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 2.23 1.88 0.00 193 D 8.21 4.79 0.00 2.61 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 7.27 4.33 0.00 1.59 1.44 0.92 0.84 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 0.00 195 A 8.77 3.79 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 0.00 196 L 8.43 4.65 0.00 1.62 1.51 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 197 P 0.00 4.66 0.00 2.08 1.75 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 198 V 8.42 3.00 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 0.83 0.00 0.00 0.93 0.00 0.00 199 N 8.02 4.37 0.00 2.58 2.65 0.00 0.00 6.73 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 0.00 200 E 8.76 4.16 0.00 1.97 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 1.95 0.00 201 Q 8.30 4.37 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 202 L 7.89 4.86 0.00 1.62 1.66 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 203 V 7.70 4.17 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 0.00 204 I 7.99 4.24 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 1.16 1.10 0.91 0.00 0.00 205 E 7.83 4.56 0.00 1.97 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 2.16 2.10 0.00 *206 F 8.01 4.20 0.00 2.25 2.33 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 *207 Y 7.94 4.37 0.00 2.41 2.24 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 0.00 208 S 7.81 4.56 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 0.00 209 R 7.58 4.33 0.00 1.86 1.74 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.