NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 M 4.4099 8.3049 120.3482 55.4909 32.2965 174.9644 80 R 4.1357 7.9346 126.3215 53.2831 28.7310 175.9680 81 I 3.8369 8.6282 118.1984 63.6487 38.6776 177.8642 82 Q 4.1290 8.0342 119.2961 58.2848 28.3570 177.3433 83 E 4.1761 7.7790 118.4035 57.5008 30.0169 177.6471 84 A 4.3442 7.5829 120.4485 54.7994 19.4912 179.0968 85 I 3.6566 8.1095 111.8632 64.1514 37.2879 178.0528 86 A 4.0877 7.6117 119.6430 53.7616 18.3338 178.3790 87 Q 4.4715 7.5956 114.5284 54.6063 29.6834 174.9527 88 D 4.5574 7.2240 121.4045 53.7627 41.6754 175.7143 89 K 4.5045 8.6211 125.6084 56.9999 32.2216 177.1525 90 T 4.4218 8.2416 114.0765 63.3165 68.9836 174.3880 91 I 4.3499 7.5370 123.2922 59.4730 38.7627 175.6288 92 S 4.6874 8.3272 120.1678 56.9447 65.0596 174.0574 93 V 3.9399 8.0922 111.9426 62.7223 31.7600 177.0730 94 I 3.6478 7.3571 121.4318 61.3048 37.1903 175.3087 95 I 4.1856 8.1264 126.4237 59.7624 38.4598 174.6388 96 D 4.6551 8.4799 125.5640 52.0056 41.5862 174.9514 97 P 3.9010 0.0000 0.0000 65.4826 31.1414 178.3280 98 S 4.2660 8.2887 112.4883 60.0648 63.2240 174.7713 99 Q 4.3676 8.0718 119.8205 56.4946 29.4708 177.5424 100 I 3.6179 7.5035 119.0137 64.3245 37.1033 177.0429 101 G 4.2561 8.1002 104.8820 45.2288 0.0000 173.3902 102 S 4.3131 7.9211 115.7399 58.1237 62.9391 174.3411 103 T 4.1322 8.6026 117.7687 64.5511 69.2095 176.5607 104 E 3.8898 8.2617 121.9028 58.3677 29.9607 177.1420 105 G 3.9845 8.0527 106.2281 45.3470 0.0000 175.1438 106 K 3.8430 7.9180 122.4325 59.1110 32.0112 176.9808 107 P 4.2132 0.0000 0.0000 65.4099 31.2384 178.3951 108 L 3.9318 7.7823 118.5091 58.2000 42.2330 178.4933 109 L 3.9496 8.1264 120.5260 58.2182 41.7231 178.8546 110 S 4.0406 8.2562 113.1943 61.6144 62.2455 175.9140 111 M 4.0353 7.8511 121.0348 58.4566 31.8855 178.2832 112 K 3.9966 8.2205 118.7873 59.7045 32.1842 179.0945 113 C 4.2422 8.1752 117.0688 62.6105 28.1155 175.6413 114 N 4.2030 7.8778 118.5556 56.7670 38.6931 176.9517 115 L 4.0822 8.2787 120.7502 58.0074 41.7217 178.9781 116 Y 4.3656 8.4197 119.7256 60.7859 38.6948 177.9507 117 I 3.4734 7.8078 120.8424 64.6069 37.1891 178.1122 118 H 4.1348 8.1046 116.8114 58.8332 28.5442 177.4957 119 E 4.0205 8.1417 121.0044 59.1818 29.4730 179.0376 120 I 3.6971 7.7305 119.9043 64.4435 37.2289 178.4523 121 L 4.2214 8.1244 119.7898 57.6675 41.3451 179.6912 122 S 4.1456 8.1321 113.4179 61.5203 62.1703 176.4448 123 R 4.0576 7.7870 119.5567 58.6644 30.0470 178.6014 124 W 3.7480 8.0003 128.4097 59.9658 30.6128 177.6652 125 K 3.1166 7.9123 119.3949 59.5505 31.4056 178.4609 126 A 4.2683 7.9852 119.0871 54.1202 18.3928 177.8529 127 S 4.8486 8.1209 111.6737 57.8439 64.1476 175.9129 128 L 3.9860 8.1983 125.4665 59.1020 41.6903 179.2665 129 E 3.9611 8.2635 113.9693 58.8675 29.5557 177.6147 130 A 4.2093 8.0243 121.3601 53.3219 19.0993 176.3451 131 Y 3.5650 7.4461 115.5410 56.6242 40.6974 175.5145 132 H 4.4137 7.8693 124.7239 55.5406 25.9071 174.0521 133 P 4.4085 0.0000 0.0000 65.4079 32.1037 178.7771 134 E 4.2984 8.2530 115.7163 57.5244 30.2394 177.5313 135 L 4.6344 7.9572 119.2094 54.9749 42.9057 177.7604 136 F 3.1670 7.6932 120.1479 60.9879 39.1957 176.4016 137 L 3.5652 7.7818 118.9830 58.4726 41.8499 178.7747 138 D 4.3272 7.9099 117.9307 57.5256 40.8470 178.8398 139 T 3.8719 7.6124 115.9676 66.4175 68.5496 176.9147 140 K 3.7253 7.5517 120.3245 59.3625 31.8008 179.5188 141 K 3.9012 7.6698 117.1471 59.4847 32.0342 179.0587 142 A 4.2037 7.8253 119.8949 54.7020 18.5408 179.0113 143 L 4.2648 7.8241 116.4629 56.1417 41.9330 178.7137 144 F 4.1157 8.0794 121.6475 61.0093 39.3675 175.3792 145 P 4.0093 0.0000 0.0000 65.4987 30.9869 178.0845 146 L 3.4925 7.6492 119.5761 57.7862 41.9496 178.6182 147 L 3.7671 7.7205 119.0069 57.6758 41.6078 179.2716 148 L 3.7233 7.3673 119.9830 58.2084 41.8693 179.0541 149 Q 4.1791 7.6130 118.9339 58.4501 28.5188 178.8267 150 L 3.9762 7.9731 121.6482 57.2483 41.4017 179.6150 151 R 3.9257 8.1096 117.9842 58.5291 30.0556 177.7402 152 R 4.3503 7.4550 114.8734 54.4849 31.0163 175.2983 153 N 4.1001 7.5915 116.0498 54.8985 37.5579 174.4106 154 Q 4.3845 8.1519 114.9265 55.7779 29.8034 176.2788 155 L 4.1933 7.6075 118.4524 53.8244 42.6941 177.2932 156 A 4.1858 8.4075 124.0324 51.3185 20.4045 176.6337 157 P 4.1428 0.0000 0.0000 66.2948 31.5926 178.8874 158 D 4.2688 8.0835 116.6474 57.2414 40.7312 178.7077 159 L 3.9965 7.7899 120.4148 58.0207 42.2425 178.5617 160 L 3.9451 7.9407 120.3690 58.0282 42.0110 178.8738 161 I 3.4798 7.6948 119.7548 64.4543 36.9951 178.5927 162 S 4.2350 7.6788 116.7950 60.9108 62.6473 176.4617 163 L 4.0411 8.0691 122.7114 58.2796 41.9008 178.7782 164 A 4.0505 8.4043 121.0502 55.5076 18.2731 179.6965 165 T 3.8940 7.9855 114.1481 66.7658 68.5796 176.9559 166 V 3.7329 7.8693 120.0157 66.2528 31.4191 178.1320 167 L 4.2776 8.0739 117.3548 57.7778 41.6328 178.6830 168 Y 4.1795 8.6200 119.9762 61.1957 38.7397 177.9380 169 H 3.8437 8.2473 117.0591 58.5501 28.5293 177.5467 170 L 3.9839 7.8915 121.4512 58.0968 41.9877 178.4961 171 Q 4.3809 7.5703 115.7093 56.2134 28.9321 175.8684 172 Q 4.3794 7.7832 120.7578 53.3382 29.2315 174.1998 173 P 4.1777 0.0000 0.0000 65.7901 31.3738 178.0076 174 K 4.4262 7.9286 113.4610 56.7565 32.0084 176.7816 175 E 4.7223 8.3693 118.2458 55.5355 30.9317 177.8329 176 I 3.7070 7.9586 121.9300 64.4099 37.9108 177.2394 177 N 4.4454 8.0799 116.8637 56.0422 38.4547 177.1814 178 L 4.0432 7.7893 119.7954 57.1656 41.6643 179.1871 179 A 4.0726 7.7871 120.7358 55.1654 18.3197 179.8206 180 V 3.6580 7.8404 116.8524 66.2721 31.4600 178.2060 181 Q 4.0461 8.2685 117.7928 59.1991 28.5628 179.1043 182 S 4.2058 8.2674 116.1917 61.6966 62.9961 176.0135 183 Y 4.1380 8.4679 122.7333 60.9250 38.2803 177.8699 184 M 4.0768 8.0147 119.7340 57.8193 32.5306 178.1305 185 K 4.0436 7.8079 118.5623 59.4281 32.4384 178.7585 186 L 3.9345 7.7728 120.7426 58.4591 41.9866 179.2208 187 S 3.9723 7.8702 113.2955 60.4509 62.7566 175.5027 188 I 4.2106 7.5781 122.0132 61.2395 37.4674 176.4905 189 G 3.8769 7.8829 108.6060 45.0835 0.0000 172.3579 190 N 5.2524 7.4687 115.3366 50.9073 41.1642 174.7802 191 V 3.7130 7.9064 120.6794 62.8680 32.3056 175.0733 192 A 4.7423 8.4323 129.6018 50.1584 20.7624 175.7007 193 W 4.8064 8.7551 122.3193 53.9743 31.6511 174.3636 194 P 4.4125 0.0000 0.0000 63.8392 31.2851 176.3604 195 I 4.2128 8.9689 123.3662 63.5589 38.1329 177.5904 196 G 3.8053 8.6311 107.9921 48.6702 0.0000 174.3239 197 V 3.2923 7.2986 118.6689 65.7404 32.3166 176.4550 *218 A 4.6185 7.8557 119.1205 51.5198 20.9708 175.6574 219 N 5.3824 8.0309 109.0882 51.8751 43.0060 173.1923 220 I 4.8031 9.0855 120.5726 60.2387 41.8715 174.5541 221 M 4.7307 8.5819 122.1354 53.5953 34.5403 175.5470 222 I 4.3157 8.1540 122.7942 59.5345 39.7552 175.4874 223 D 4.7909 8.0898 123.4478 52.8014 44.6180 176.1305 224 E 3.9216 8.4658 120.4234 59.1378 29.4187 178.3014 225 R 3.9768 8.0453 118.3121 59.7381 30.1873 178.9032 226 T 3.7545 7.7888 115.2821 66.4262 68.4377 176.5465 227 R 3.6187 7.9763 120.8417 58.9161 29.9855 178.3608 228 L 3.9372 7.7655 120.6588 57.8502 42.1252 178.9220 229 W 4.5327 7.8027 116.2933 59.2479 28.0826 178.5047 230 I 3.7459 6.8182 120.2456 64.3628 36.5120 178.1615 231 T 4.2886 7.6505 118.0205 66.3095 68.3963 177.0702 232 S 4.2834 7.9592 115.4266 61.3242 62.8562 176.7177 233 I 3.8494 7.8849 122.7050 64.2391 36.8301 178.1940 234 K 3.4607 7.7741 120.6076 59.3018 31.9018 179.1223 235 R 4.0507 7.9454 118.4266 59.0658 29.9683 178.9670 236 L 4.1869 7.8488 118.5696 57.6649 41.6841 179.4270 237 I 3.7239 7.6095 119.9476 64.5970 37.2144 178.6068 238 T 3.8877 7.9911 110.7024 64.5806 68.5241 176.3547 239 F 2.7838 8.0385 123.3985 60.5589 39.2822 176.5082 240 E 3.5725 8.0710 118.9099 59.3176 29.0723 178.3582 241 E 3.8152 8.0253 119.1011 59.0301 29.6552 178.6784 242 W 3.9041 7.7882 127.9886 60.3422 30.5074 177.2433 243 Y 3.2801 7.8011 118.8533 60.7480 38.3315 177.6573 244 T 3.8082 7.7881 108.3618 63.9261 69.0892 175.4144 245 S 4.1928 7.1058 117.4258 59.7742 63.6089 174.4466 246 N 4.5677 6.8218 117.9662 50.8480 37.3949 174.4115 247 H 4.0054 7.4076 117.9238 56.0246 29.7552 173.8930 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 79 M 8.30 4.41 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 80 R 7.93 4.14 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 81 I 8.63 3.84 1.86 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 1.63 1.20 0.91 0.00 0.00 82 Q 8.03 4.13 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 83 E 7.78 4.18 0.00 1.93 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 2.30 2.31 0.00 84 A 7.58 4.34 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 85 I 8.11 3.66 1.86 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 1.64 1.10 0.96 0.00 0.00 86 A 7.61 4.09 1.36 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 87 Q 7.60 4.47 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 88 D 7.22 4.56 0.00 2.57 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 89 K 8.62 4.50 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.51 7.81 90 T 8.24 4.42 4.52 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 1.21 0.00 0.00 91 I 7.54 4.35 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 1.47 0.74 0.92 0.00 0.00 92 S 8.33 4.69 0.00 3.98 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 93 V 8.09 3.94 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 0.84 0.00 0.00 0.94 0.00 0.00 94 I 7.36 3.65 1.85 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 1.25 0.44 0.90 0.00 0.00 95 I 8.13 4.19 1.97 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 1.31 0.62 0.96 0.00 0.00 96 D 8.48 4.66 0.00 2.69 2.53 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 0.00 0.00 0.00 0.00 97 P 0.00 3.90 0.00 1.75 0.52 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 98 S 8.29 4.27 0.00 3.97 3.99 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 99 Q 8.07 4.37 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 100 I 7.50 3.62 2.04 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 1.20 0.39 0.89 0.00 0.00 101 G 8.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.92 4.31 0.00 3.88 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 0.00 103 T 8.60 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 104 E 8.26 3.89 0.00 1.95 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 2.29 2.31 0.00 105 G 8.05 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 0.00 106 K 7.92 3.84 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.48 7.81 107 P 0.00 4.21 0.00 2.19 2.08 0.00 3.79 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 2.11 2.14 0.00 108 L 7.78 3.93 0.00 1.75 1.82 0.92 0.53 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 0.00 109 L 8.13 3.95 0.00 1.78 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.26 4.04 0.00 3.99 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 0.00 111 M 7.85 4.04 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 112 K 8.22 4.00 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.62 7.81 113 C 8.18 4.24 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.88 4.20 0.00 2.66 3.03 0.00 0.00 7.21 7.71 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 0.00 115 L 8.28 4.08 0.00 1.92 1.77 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.42 4.37 0.00 3.03 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 0.00 117 I 7.81 3.47 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.80 0.00 0.00 118 H 8.10 4.13 0.00 3.40 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.14 4.02 0.00 2.28 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 2.37 2.60 0.00 120 I 7.73 3.70 1.87 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 1.02 0.00 0.00 121 L 8.12 4.22 0.00 1.89 1.80 0.81 0.62 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 0.00 122 S 8.13 4.15 0.00 4.05 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 0.00 123 R 7.79 4.06 0.00 1.84 1.80 0.00 2.49 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 124 W 8.00 3.75 0.00 2.18 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 0.00 125 K 7.91 3.12 0.00 2.06 1.84 0.00 1.67 0.00 0.00 1.45 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 126 A 7.99 4.27 1.49 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 0.00 0.00 127 S 8.12 4.85 0.00 4.43 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 0.00 128 L 8.20 3.99 0.00 1.73 1.66 0.46 0.53 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 0.00 129 E 8.26 3.96 0.00 2.13 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 2.34 2.38 0.00 130 A 8.02 4.21 1.69 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 0.00 0.00 131 Y 7.45 3.57 0.00 1.43 2.36 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 0.00 132 H 7.87 4.41 0.00 2.75 3.38 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.41 0.00 2.22 2.49 0.00 3.61 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 2.06 1.95 0.00 134 E 8.25 4.30 0.00 2.23 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 2.36 2.40 0.00 135 L 7.96 4.63 0.00 2.01 1.92 0.88 0.97 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 0.00 136 F 7.69 3.17 0.00 2.51 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 0.00 137 L 7.78 3.57 0.00 1.69 1.57 0.76 1.15 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 0.00 138 D 7.91 4.33 0.00 2.73 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 T 7.61 3.87 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 1.33 0.00 0.00 140 K 7.55 3.73 0.00 1.56 1.56 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.83 0.41 7.81 141 K 7.67 3.90 0.00 1.82 1.83 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.49 7.81 142 A 7.83 4.20 1.43 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 0.00 0.00 143 L 7.82 4.26 0.00 1.84 1.66 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.08 4.12 0.00 3.09 3.21 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 0.00 145 P 0.00 4.01 0.00 2.33 2.35 0.00 3.98 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 146 L 7.65 3.49 0.00 0.99 1.54 -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.72 3.77 0.00 1.67 1.57 0.70 0.24 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 0.00 148 L 7.37 3.72 0.00 1.21 1.50 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.61 4.18 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 150 L 7.97 3.98 0.00 1.71 1.81 0.76 0.50 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 0.00 151 R 8.11 3.93 0.00 1.90 2.04 0.00 3.19 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 1.61 1.64 0.00 152 R 7.45 4.35 0.00 1.79 1.89 0.00 3.31 0.00 0.00 3.11 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 153 N 7.59 4.10 0.00 2.74 2.82 0.00 0.00 7.06 8.37 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 0.00 154 Q 8.15 4.38 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 155 L 7.61 4.19 0.00 1.59 1.58 0.77 0.83 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 0.00 156 A 8.41 4.19 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 0.00 157 P 0.00 4.14 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 158 D 8.08 4.27 0.00 2.70 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 0.00 159 L 7.79 4.00 0.00 1.81 1.83 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.94 3.95 0.00 1.78 1.77 0.88 1.07 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 0.00 161 I 7.69 3.48 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 -0.18 0.00 0.00 162 S 7.68 4.23 0.00 4.02 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 0.00 163 L 8.07 4.04 0.00 1.93 1.90 1.06 0.55 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 0.00 164 A 8.40 4.05 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 0.00 165 T 7.99 3.89 4.47 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 1.38 0.00 0.00 166 V 7.87 3.73 2.40 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 1.20 0.00 0.00 1.16 0.00 0.00 167 L 8.07 4.28 0.00 1.94 2.03 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.62 4.18 0.00 3.03 3.17 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 0.00 169 H 8.25 3.84 0.00 3.30 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.89 3.98 0.00 1.90 2.07 0.95 0.66 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 0.00 171 Q 7.57 4.38 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 1.77 2.22 0.00 172 Q 7.78 4.38 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 173 P 0.00 4.18 0.00 2.00 2.11 0.00 3.63 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 2.01 2.12 0.00 174 K 7.93 4.43 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 175 E 8.37 4.72 0.00 2.20 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 2.21 2.18 0.00 176 I 7.96 3.71 1.85 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 1.62 1.22 0.90 0.00 0.00 177 N 8.08 4.45 0.00 2.77 2.85 0.00 0.00 7.18 6.74 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 0.00 178 L 7.79 4.04 0.00 1.57 1.37 0.89 0.88 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 0.00 179 A 7.79 4.07 1.43 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 0.00 0.00 180 V 7.84 3.66 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 1.18 0.00 0.00 1.02 0.00 0.00 181 Q 8.27 4.05 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 182 S 8.27 4.21 0.00 4.16 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 0.00 183 Y 8.47 4.14 0.00 3.17 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 M 8.01 4.08 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 185 K 7.81 4.04 0.00 1.94 1.83 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.68 7.81 186 L 7.77 3.93 0.00 1.73 1.71 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.87 3.97 0.00 3.81 3.35 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 0.00 188 I 7.58 4.21 2.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.41 0.88 0.00 0.00 189 G 7.88 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 0.00 190 N 7.47 5.25 0.00 2.59 2.74 0.00 0.00 7.01 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 0.00 191 V 7.91 3.71 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 0.22 0.00 0.00 0.96 0.00 0.00 192 A 8.43 4.74 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 W 8.76 4.81 0.00 3.29 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.41 0.00 2.09 1.96 0.00 4.04 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 2.07 2.15 0.00 195 I 8.97 4.21 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.96 0.00 0.00 196 G 8.63 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 0.00 197 V 7.30 3.29 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 0.79 0.00 0.00 0.85 0.00 0.00 *218 A 7.86 4.62 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 0.00 219 N 8.03 5.38 0.00 2.55 2.67 0.00 0.00 6.65 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 I 9.09 4.80 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.90 0.00 0.00 221 M 8.58 4.73 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 222 I 8.15 4.32 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.73 0.00 0.00 223 D 8.09 4.79 0.00 2.77 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 0.00 224 E 8.47 3.92 0.00 2.10 1.86 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 2.37 2.42 0.00 225 R 8.05 3.98 0.00 1.96 1.99 0.00 3.30 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 226 T 7.79 3.75 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 0.87 0.00 0.00 227 R 7.98 3.62 0.00 1.99 1.98 0.00 3.04 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 228 L 7.77 3.94 0.00 1.82 1.95 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 229 W 7.80 4.53 0.00 3.54 3.49 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 0.00 230 I 6.82 3.75 1.57 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.72 0.00 0.00 231 T 7.65 4.29 4.44 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 1.27 0.00 0.00 232 S 7.96 4.28 0.00 4.19 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 0.00 233 I 7.88 3.85 2.37 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 2.19 1.87 1.08 0.00 0.00 234 K 7.77 3.46 0.00 1.24 1.76 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.21 0.88 7.81 235 R 7.95 4.05 0.00 2.32 2.27 0.00 3.33 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 236 L 7.85 4.19 0.00 1.90 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 237 I 7.61 3.72 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.88 0.00 0.00 238 T 7.99 3.89 4.33 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 1.29 0.00 0.00 239 F 8.04 2.78 0.00 2.12 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 0.00 240 E 8.07 3.57 0.00 2.25 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 2.35 2.35 0.00 241 E 8.03 3.82 0.00 2.05 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 2.29 2.28 0.00 242 W 7.79 3.90 0.00 3.30 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 0.00 243 Y 7.80 3.28 0.00 1.99 2.66 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 0.00 0.00 0.00 244 T 7.79 3.81 4.16 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 1.32 0.00 0.00 245 S 7.11 4.19 0.00 3.78 3.77 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 0.00 246 N 6.82 4.57 0.00 1.44 2.08 0.00 0.00 6.80 7.74 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 0.00 247 H 7.41 4.01 0.00 2.67 2.92 0.00 5.93 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 * Residues marked with a * may have inaccurate shift predictions.