NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.2870 8.2993 120.0005 55.3328 34.6703 175.1433 67 I 4.3359 7.8186 111.2859 58.0574 39.8452 171.3665 68 V 3.8745 9.2257 119.9180 61.3103 33.2393 176.9302 69 K 4.5623 8.2073 122.3612 54.0698 35.4589 174.8083 70 Y 4.1730 7.8145 124.2839 57.3755 39.1811 174.5903 71 P 3.9178 0.0000 0.0000 61.6838 32.1003 174.8166 72 D 4.2054 7.7095 118.3905 55.5390 41.4542 175.6400 73 P 4.4065 0.0000 0.0000 64.1436 32.0352 178.0942 74 I 3.6546 8.2024 119.4586 63.8918 38.2506 177.6342 75 L 4.1639 7.8371 119.7992 56.7283 41.4876 178.2610 76 R 4.6800 7.7445 116.0406 55.9860 30.7249 176.4702 77 R 4.3235 7.4326 117.1022 55.4167 31.5285 176.3622 78 R 4.3327 8.3293 121.9617 55.4682 30.2726 176.3526 79 S 4.4829 8.5186 123.1767 58.4948 63.9054 173.9302 80 E 4.6040 8.9531 122.1305 54.6869 31.3970 175.6923 81 E 4.4649 8.7901 122.6064 56.8708 30.2827 177.0722 82 V 3.7315 8.9955 124.2462 62.7013 32.1994 175.8781 83 T 4.3699 8.2836 115.4269 61.4594 70.6754 173.5164 84 N 4.7762 7.8096 118.9357 51.7598 39.5863 175.5172 85 F 4.5514 8.6910 127.1730 56.0411 38.6830 175.3218 86 D 5.1026 7.3360 127.9007 53.5259 40.6364 179.2258 87 D 4.5007 8.7779 113.7480 56.7974 41.1418 177.5210 88 N 4.2189 8.2716 116.6067 56.5577 38.4828 176.5179 89 L 3.8672 7.8416 120.9426 58.4868 42.1305 179.3403 90 K 4.0196 7.7025 116.6572 59.3270 31.8675 179.4583 91 R 3.8803 8.0670 119.0406 59.3215 30.0736 178.4165 92 V 3.5486 8.1110 118.5644 66.3185 31.4646 178.2136 93 V 3.4962 8.1410 118.0745 65.7966 31.3074 177.9263 94 R 4.0936 8.1720 118.6034 59.2591 29.8766 178.2069 95 K 3.8928 8.4274 119.8365 60.0225 32.0854 178.5067 96 M 3.9558 8.0919 118.7094 58.3545 31.7950 178.8603 97 F 3.9389 8.0563 117.7686 60.4982 39.1028 177.2320 98 D 4.6356 8.3815 118.5314 57.8164 40.7453 179.0932 99 I 3.7318 8.0896 120.3399 64.5605 37.0764 178.1690 100 M 3.9854 8.1392 119.1782 58.8684 32.1565 177.9048 101 Y 4.3710 8.1827 117.2483 61.1497 37.8428 178.0987 102 E 4.0427 8.2882 119.0985 59.3324 29.8785 178.2917 103 S 4.4481 8.1114 111.7059 57.6330 63.4273 173.9988 104 K 3.9044 7.8208 120.1509 57.2372 30.0754 175.6107 105 G 3.9810 7.9761 105.8442 44.7586 0.0000 174.6345 106 I 4.0021 8.1429 119.8354 61.9715 38.5282 175.0176 107 G 4.9081 7.5117 104.3859 47.3964 0.0000 172.2549 108 L 4.7322 8.5232 120.3701 53.8396 46.1052 173.9677 109 S 5.1036 8.9268 119.4584 56.3443 65.7464 174.9143 110 A 3.9194 8.5973 124.9231 55.0813 18.4729 178.3772 111 P 4.3887 0.0000 0.0000 65.1399 31.6376 178.3773 112 Q 4.0636 8.0227 115.5112 57.6624 28.6630 177.6027 113 V 4.3537 7.6440 111.5878 60.9221 32.0248 175.1382 114 N 4.1842 8.3591 115.9314 54.5858 37.3521 173.6794 115 I 4.3221 7.4761 117.0264 59.1496 39.3536 176.1708 116 S 4.6189 8.3588 125.4140 58.0866 60.7121 173.0993 117 K 4.7911 7.5195 118.4943 54.5976 35.9535 179.2786 118 R 4.3675 8.5589 122.8859 55.5909 28.6331 174.5622 119 I 5.1071 7.6521 121.4202 59.3524 41.9447 174.1912 120 I 5.0925 8.9200 126.2683 59.6712 41.2560 174.8904 121 V 5.0109 8.6067 118.1495 59.6955 36.0182 174.1917 122 W 5.3261 8.6461 117.9811 56.2324 31.4831 174.4282 123 N 5.0401 8.8786 120.3965 51.7706 38.0132 173.4865 *135 R 4.0389 7.9572 123.9146 55.5320 31.4465 173.6149 136 I 4.7140 7.2303 119.8874 59.2180 40.4176 175.3563 137 F 4.7417 9.0604 124.5700 55.8876 42.4590 173.8551 138 I 4.8571 9.1007 124.8417 59.9797 39.9021 175.6486 139 N 4.2692 8.6979 122.4265 53.8536 36.4746 172.5590 140 P 5.2501 0.0000 0.0000 63.2271 33.2842 177.5457 141 S 4.9755 9.7910 116.5980 56.9842 67.6092 172.9149 142 I 4.8164 7.9554 122.3601 59.8534 38.7337 175.7944 143 V 4.5012 8.8146 118.3748 60.9621 33.9767 174.8008 144 E 4.8632 7.9149 118.8062 55.9299 34.1732 173.5460 145 Q 5.1216 8.9406 118.2894 54.8547 31.5584 174.7251 146 S 4.2790 8.7189 116.2378 58.4761 63.2624 174.5051 147 L 4.0570 8.5772 121.2298 57.8628 41.8486 178.4508 148 V 3.8206 7.7184 119.3170 62.8859 32.3073 175.3308 149 K 5.2785 8.6171 126.3430 54.7613 35.9850 175.1108 150 L 4.7070 8.7113 120.8449 54.5135 44.2708 174.6433 151 K 5.3903 8.4419 119.7712 55.1646 33.2352 176.2659 152 L 4.8870 8.2898 123.4081 52.6674 45.9454 175.7459 153 I 4.4118 8.4589 123.6784 61.4887 37.6846 175.2112 154 E 4.7139 9.3926 126.5581 54.5020 32.9190 175.6752 155 G 4.3133 8.3271 110.4860 43.8809 0.0000 172.0746 156 C 4.4896 7.7889 117.5602 57.3057 34.3037 174.6653 157 L 4.0167 8.6514 126.6637 57.5202 41.5066 178.0103 158 S 4.5675 8.1420 113.1552 58.9526 63.8347 173.5289 159 F 5.0965 8.3901 119.6230 54.2624 39.1228 172.0125 160 P 4.4995 0.0000 0.0000 64.2747 32.0093 177.6269 161 G 4.0190 9.0120 110.0472 45.5300 0.0000 173.0770 162 I 4.4249 7.7729 120.9095 59.8394 38.1941 174.8287 163 E 5.3581 7.7209 123.8704 53.7575 33.4651 175.1459 164 G 4.0329 8.2242 106.1794 45.3822 0.0000 172.7469 165 K 4.7643 9.1073 121.7169 56.2265 33.4571 176.5110 166 V 4.5879 8.9125 124.1272 61.0430 34.9499 173.5748 167 E 4.9571 8.8323 128.6452 55.3295 30.5580 175.1942 168 R 4.9179 8.9533 124.9381 53.5053 35.2993 172.6953 169 P 4.5710 0.0000 0.0000 63.5654 31.1025 176.3919 170 S 4.2295 9.2082 117.8154 60.7732 62.7821 173.8548 171 I 4.9975 7.9912 120.3567 59.5063 40.3183 175.3289 172 V 4.8879 8.6007 118.2992 59.6311 36.2330 174.1982 173 S 5.2021 8.9783 118.2512 56.6700 64.5791 173.0226 174 I 5.2760 8.9277 119.8694 59.2970 41.5056 173.9460 175 S 5.2743 8.7871 116.3439 57.3158 66.9173 172.2293 176 Y 5.1883 7.6425 117.6500 57.1794 41.9016 172.0377 177 Y 5.1968 9.4881 117.3546 56.2119 41.4990 176.5149 178 D 5.0531 8.9741 122.9896 52.2735 41.2425 176.9175 179 I 3.9622 8.4050 118.1850 63.7907 37.9291 176.0918 180 N 4.6552 8.5192 115.3145 53.4449 38.9211 175.6678 181 G 2.7209 8.1311 106.9911 44.4707 0.0000 173.1834 182 Y 4.2571 8.0009 118.1854 57.3214 39.1280 174.8558 183 K 4.0767 8.5098 124.8263 56.1433 33.6274 175.5185 184 H 4.7566 8.4854 123.0851 53.7784 32.8252 172.1916 185 L 5.0907 8.3359 121.1772 52.9384 43.8714 175.7444 186 K 4.7136 9.0109 123.5248 54.9484 36.4380 174.4709 187 I 4.8752 8.3563 125.2835 59.5732 39.3062 174.8689 188 L 4.9184 8.8677 127.4522 52.8818 44.6127 175.6722 189 K 4.6813 8.1202 120.4643 54.2116 37.0152 177.6593 190 G 3.6999 8.1669 110.0601 46.8701 0.0000 176.5314 191 I 3.6515 8.2270 122.5547 64.3223 36.8030 177.3562 192 H 3.5684 7.7926 116.6474 58.5490 28.5508 177.4703 193 S 4.1088 7.9682 114.9686 61.4100 62.3008 176.2679 194 R 3.8763 7.7599 120.6838 59.5877 29.8451 178.5508 195 I 3.7111 7.9141 119.7984 64.3007 37.0930 178.1917 196 F 4.1469 8.5799 121.5837 61.4879 39.2478 177.2022 197 Q 4.1470 8.3865 117.7221 59.1478 28.2921 178.1809 198 H 4.0849 7.9796 117.9367 59.4817 30.1312 176.9018 199 E 4.1883 8.4466 120.4443 59.2074 29.2621 178.9372 200 F 3.9740 8.5273 121.0536 61.4665 39.2954 176.7487 201 D 4.1992 8.1295 118.2871 57.8653 40.7141 178.3891 202 H 4.0613 7.7164 116.5478 59.2444 28.6792 177.6972 203 L 4.0022 7.8470 120.2220 56.8557 41.1253 178.1458 204 N 4.8167 7.8861 114.4703 52.3285 38.8584 175.6237 205 G 4.2430 7.6729 108.2852 45.7616 0.0000 173.3659 206 T 4.6444 7.5769 115.4834 61.5932 70.1279 174.1238 207 L 4.8877 8.8393 126.0568 52.3615 44.7587 177.7235 208 F 4.1520 8.9135 117.1824 60.0106 37.0945 177.5824 209 I 3.0137 6.8778 113.0867 63.8677 36.7580 177.6992 210 D 4.4254 8.0782 119.7734 55.9693 40.6544 177.0657 211 K 4.4844 7.5180 115.9695 55.8167 33.3383 176.2926 212 M 4.3002 7.2826 118.4849 55.1139 32.5727 176.3770 213 T 3.9974 7.9327 110.8249 62.0007 69.5836 175.0569 214 Q 3.9296 8.8909 121.8669 59.4042 28.7151 179.7078 215 V 3.5430 7.7305 118.2276 66.3788 31.7232 177.6993 216 D 4.4146 7.9918 117.6863 56.7109 40.7301 178.9747 217 K 3.9218 8.1885 120.0737 59.0655 31.7988 179.4314 218 K 4.0621 7.5947 117.9730 59.9780 32.7255 179.1943 219 K 4.1362 7.8648 118.2052 58.0089 32.2195 178.9314 220 V 3.9039 7.4474 118.8736 63.4163 31.7062 178.4000 221 R 3.9129 7.4624 118.4763 58.8510 29.9807 176.9013 222 P 4.2654 0.0000 0.0000 66.0575 31.0843 178.4073 223 K 4.0266 8.0419 117.6706 59.1198 31.9059 179.1292 224 L 4.1063 8.2896 119.7196 57.8444 41.5654 179.1830 225 N 4.3982 8.4273 116.5110 56.5955 38.4308 177.3622 226 E 4.0623 8.3428 119.9065 59.0094 29.5096 179.1453 227 L 4.0765 8.2779 120.6517 58.3166 42.0199 178.9616 228 I 3.7760 7.9686 118.6220 64.6198 37.2820 178.2966 229 R 4.1074 8.1691 118.6470 59.5153 29.7165 178.9215 230 D 4.3889 8.3129 117.5863 57.1326 40.7663 177.3876 231 Y 4.0347 7.9831 117.8158 57.3284 38.0207 176.3367 232 K 4.2295 8.0789 128.2093 55.1703 32.3614 178.7323 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 66 K 8.30 4.29 0.00 1.89 1.82 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.47 7.81 67 I 7.82 4.34 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.90 0.00 0.00 68 V 9.23 3.87 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 0.74 0.00 0.00 0.86 0.00 0.00 69 K 8.21 4.56 0.00 1.06 1.05 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 0.50 7.81 70 Y 7.81 4.17 0.00 1.55 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 71 P 0.00 3.92 0.00 1.68 0.83 0.00 3.63 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 72 D 7.71 4.21 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.18 2.03 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 74 I 8.20 3.65 1.84 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 1.26 1.19 0.91 0.00 0.00 75 L 7.84 4.16 0.00 1.98 1.77 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.74 4.68 0.00 1.93 1.95 0.00 3.44 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 77 R 7.43 4.32 0.00 1.84 1.83 0.00 3.13 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 78 R 8.33 4.33 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 79 S 8.52 4.48 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.95 4.60 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 81 E 8.79 4.46 0.00 1.82 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 2.34 2.43 0.00 82 V 9.00 3.73 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 0.07 0.00 0.00 0.78 0.00 0.00 83 T 8.28 4.37 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 1.18 0.00 0.00 84 N 7.81 4.78 0.00 2.63 3.01 0.00 0.00 6.88 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 85 F 8.69 4.55 0.00 2.98 3.25 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 86 D 7.34 5.10 0.00 2.83 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 87 D 8.78 4.50 0.00 2.75 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 88 N 8.27 4.22 0.00 3.00 2.85 0.00 0.00 6.74 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 89 L 7.84 3.87 0.00 1.58 1.78 0.84 1.02 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 90 K 7.70 4.02 0.00 2.06 1.88 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 91 R 8.07 3.88 0.00 2.11 1.97 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 92 V 8.11 3.55 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 0.88 0.00 0.00 0.91 0.00 0.00 93 V 8.14 3.50 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 1.02 0.00 0.00 0.99 0.00 0.00 94 R 8.17 4.09 0.00 2.13 2.22 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 95 K 8.43 3.89 0.00 2.08 1.79 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 96 M 8.09 3.96 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 97 F 8.06 3.94 0.00 3.27 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 98 D 8.38 4.64 0.00 2.93 2.83 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 99 I 8.09 3.73 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 1.42 1.09 0.90 0.00 0.00 100 M 8.14 3.99 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 101 Y 8.18 4.37 0.00 3.23 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.04 0.00 2.25 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 0.00 2.37 2.42 0.00 103 S 8.11 4.45 0.00 3.91 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 0.00 104 K 7.82 3.90 0.00 1.96 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 105 G 7.98 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 I 8.14 4.00 1.85 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 1.25 1.20 0.86 0.00 0.00 107 G 7.51 4.91 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 0.00 108 L 8.52 4.73 0.00 1.68 1.33 0.92 0.72 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 0.00 109 S 8.93 5.10 0.00 3.86 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 0.00 110 A 8.60 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.39 0.00 2.14 2.10 0.00 3.72 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 2.08 2.04 0.00 112 Q 8.02 4.06 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 113 V 7.64 4.35 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 0.62 0.00 0.00 0.95 0.00 0.00 114 N 8.36 4.18 0.00 2.81 2.88 0.00 0.00 6.83 8.49 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 0.00 115 I 7.48 4.32 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.86 0.00 0.00 116 S 8.36 4.62 0.00 3.87 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 0.00 117 K 7.52 4.79 0.00 1.57 1.59 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.30 7.81 118 R 8.56 4.37 0.00 2.00 1.93 0.00 3.26 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 119 I 7.65 5.11 1.81 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 1.30 0.86 0.85 0.00 0.00 120 I 8.92 5.09 1.89 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.91 0.00 0.00 121 V 8.61 5.01 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 0.25 0.00 0.00 0.52 0.00 0.00 122 W 8.65 5.33 0.00 3.51 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 0.00 123 N 8.88 5.04 0.00 3.02 2.93 0.00 0.00 7.09 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 *135 R 7.96 4.04 0.00 1.93 1.14 0.00 3.18 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.00 136 I 7.23 4.71 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.89 0.00 0.00 137 F 9.06 4.74 0.00 2.84 2.91 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 0.00 138 I 9.10 4.86 2.45 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 1.05 0.00 0.00 139 N 8.70 4.27 0.00 3.14 3.01 0.00 0.00 7.01 8.07 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 0.00 140 P 0.00 5.25 0.00 2.50 2.49 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.16 0.00 141 S 9.79 4.98 0.00 3.78 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 0.00 142 I 7.96 4.82 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.83 0.00 0.00 143 V 8.81 4.50 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 0.70 0.00 0.00 0.96 0.00 0.00 144 E 7.91 4.86 0.00 1.83 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 2.30 2.23 0.00 145 Q 8.94 5.12 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 146 S 8.72 4.28 0.00 3.88 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 0.00 147 L 8.58 4.06 0.00 1.66 1.78 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.72 3.82 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 0.97 0.00 0.00 0.93 0.00 0.00 149 K 8.62 5.28 0.00 1.63 1.75 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.54 7.81 150 L 8.71 4.71 0.00 1.70 1.70 0.97 0.81 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 0.00 151 K 8.44 5.39 0.00 1.66 1.78 0.00 1.73 0.00 0.00 2.35 0.00 0.00 2.70 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.30 7.81 152 L 8.29 4.89 0.00 1.55 1.50 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.46 4.41 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 1.35 0.47 0.94 0.00 0.00 154 E 9.39 4.71 0.00 2.09 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 2.19 2.43 0.00 155 G 8.33 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 0.00 0.00 0.00 0.00 156 C 7.79 4.49 0.00 1.95 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 0.00 157 L 8.65 4.02 0.00 1.66 1.72 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.14 4.57 0.00 4.02 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 0.00 159 F 8.39 5.10 0.00 3.14 3.03 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 0.00 160 P 0.00 4.50 0.00 2.21 2.14 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 161 G 9.01 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 0.00 162 I 7.77 4.42 2.21 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.20 0.81 0.00 0.00 163 E 7.72 5.36 0.00 1.83 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 2.39 2.18 0.00 164 G 8.22 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 0.00 165 K 9.11 4.76 0.00 1.79 1.73 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.38 7.81 166 V 8.91 4.59 2.34 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 0.98 0.00 0.00 1.01 0.00 0.00 167 E 8.83 4.96 0.00 2.01 1.83 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 2.24 2.33 0.00 168 R 8.95 4.92 0.00 1.77 2.00 0.00 3.50 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 1.58 1.60 0.00 169 P 0.00 4.57 0.00 2.24 2.08 0.00 3.89 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 170 S 9.21 4.23 0.00 3.88 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 0.00 171 I 7.99 5.00 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 1.22 0.66 0.97 0.00 0.00 172 V 8.60 4.89 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 0.73 0.00 0.00 0.88 0.00 0.00 173 S 8.98 5.20 0.00 3.80 3.66 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 0.00 174 I 8.93 5.28 1.74 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.79 0.37 0.00 0.00 175 S 8.79 5.27 0.00 3.70 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 0.00 176 Y 7.64 5.19 0.00 3.49 3.37 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 0.00 177 Y 9.49 5.20 0.00 3.19 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 0.00 178 D 8.97 5.05 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 0.00 179 I 8.40 3.96 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 1.02 0.00 0.00 180 N 8.52 4.66 0.00 3.17 2.98 0.00 0.00 7.19 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 0.00 181 G 8.13 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 0.00 0.00 0.00 182 Y 8.00 4.26 0.00 3.26 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 K 8.51 4.08 0.00 1.54 1.50 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.99 0.52 7.81 184 H 8.49 4.76 0.00 1.66 2.77 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.34 5.09 0.00 1.40 1.51 0.80 0.74 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 0.00 186 K 9.01 4.71 0.00 2.03 1.62 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 187 I 8.36 4.88 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 1.32 0.75 0.89 0.00 0.00 188 L 8.87 4.92 0.00 1.47 1.62 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.12 4.68 0.00 1.76 1.88 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.41 7.81 190 G 8.17 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 I 8.23 3.65 1.61 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 1.54 0.53 0.66 0.00 0.00 192 H 7.79 3.57 0.00 3.21 3.20 0.00 5.63 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 0.00 193 S 7.97 4.11 0.00 4.05 4.06 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 0.00 0.00 0.00 194 R 7.76 3.88 0.00 1.94 1.97 0.00 3.23 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 195 I 7.91 3.71 1.74 0.00 0.00 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 1.32 0.39 1.13 0.00 0.00 196 F 8.58 4.15 0.00 3.56 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 0.00 197 Q 8.39 4.15 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 198 H 7.98 4.08 0.00 3.15 3.49 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.45 4.19 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 200 F 8.53 3.97 0.00 2.58 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 0.00 201 D 8.13 4.20 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 H 7.72 4.06 0.00 3.31 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.85 4.00 0.00 1.46 1.56 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 204 N 7.89 4.82 0.00 2.45 2.71 0.00 0.00 7.08 7.36 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 0.00 205 G 7.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.58 4.64 4.30 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 1.24 0.00 0.00 207 L 8.84 4.89 0.00 1.82 1.66 1.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.91 4.15 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.88 3.01 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 -0.20 0.00 0.00 210 D 8.08 4.43 0.00 2.67 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 0.00 211 K 7.52 4.48 0.00 1.69 1.78 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 212 M 7.28 4.30 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 213 T 7.93 4.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 214 Q 8.89 3.93 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 215 V 7.73 3.54 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 1.05 0.00 0.00 0.92 0.00 0.00 216 D 7.99 4.41 0.00 2.77 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 0.00 217 K 8.19 3.92 0.00 1.90 1.79 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 218 K 7.59 4.06 0.00 1.84 1.92 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 219 K 7.86 4.14 0.00 1.75 1.89 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.52 7.81 220 V 7.45 3.90 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 0.89 0.00 0.00 0.75 0.00 0.00 221 R 7.46 3.91 0.00 1.97 2.04 0.00 3.13 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 222 P 0.00 4.27 0.00 2.27 2.33 0.00 3.68 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 2.07 2.07 0.00 223 K 8.04 4.03 0.00 2.00 1.94 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.54 7.81 224 L 8.29 4.11 0.00 2.08 1.87 0.86 0.46 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 0.00 225 N 8.43 4.40 0.00 2.95 2.91 0.00 0.00 7.05 7.17 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 0.00 226 E 8.34 4.06 0.00 2.18 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 0.00 2.60 2.49 0.00 227 L 8.28 4.08 0.00 1.89 2.02 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.97 3.78 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.92 0.00 0.00 229 R 8.17 4.11 0.00 2.05 2.00 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 230 D 8.31 4.39 0.00 3.01 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 0.00 231 Y 7.98 4.03 0.00 3.09 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 0.00 232 K 8.08 4.23 0.00 1.88 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.