NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 K 4.2606 8.3144 120.1330 56.0256 33.5119 175.0697 52 H 4.0089 8.7569 121.9275 55.3806 30.2369 169.2733 53 V 4.2290 8.7056 127.6633 60.7695 33.8580 174.6648 54 E 4.2066 8.4824 126.7577 55.4183 30.3225 175.0844 55 P 4.5199 0.0000 0.0000 62.3731 32.0869 177.7932 56 Q 4.0473 8.5792 119.2461 58.6447 28.9063 177.1967 57 D 4.6996 7.9876 115.7338 52.7675 39.8580 175.5924 58 A 4.7561 7.2975 121.5995 52.6902 18.9714 177.4415 59 I 4.6213 8.0889 119.4328 59.6499 41.8850 173.8551 60 S 4.5599 8.5645 122.7374 56.9530 64.1501 173.1520 61 P 4.0440 0.0000 0.0000 65.8617 30.9245 178.4008 62 D 4.4156 8.2807 117.7653 57.8041 40.8380 178.9726 63 N 4.3511 8.1509 116.5813 56.2893 38.4955 176.8514 64 Y 3.9832 8.1193 120.8758 61.2153 38.5310 178.2344 65 M 4.2868 8.7355 119.9663 58.4046 32.0076 178.4861 66 D 4.3830 8.4985 119.4879 57.7167 40.7773 178.6218 67 M 4.0138 7.8052 118.0298 58.3463 32.0601 178.0877 68 L 4.2372 7.4134 115.9544 54.3941 41.9786 177.1600 69 G 3.8473 7.8802 107.0542 46.4461 0.0000 173.5419 70 L 4.4403 7.3830 119.0615 52.8548 42.8644 177.1813 71 E 4.1580 8.5869 122.3979 55.7607 30.4832 177.5723 72 A 3.9923 8.8686 123.8369 55.6333 18.2188 180.4896 73 R 4.0182 7.9873 109.4615 58.3271 29.6483 176.7992 74 D 4.7943 8.0381 117.0552 53.8131 41.7533 175.9599 75 R 4.7159 7.4965 115.5569 54.3712 31.9711 175.3953 76 T 4.2539 8.2196 115.4360 62.8318 69.8629 174.2903 77 M 4.9612 7.9370 123.9690 53.6788 36.2147 174.0682 78 Y 5.0985 8.9913 117.5801 56.4269 42.1792 174.3482 79 E 5.0402 8.9564 122.8210 54.7322 34.1184 173.5520 80 L 5.0356 9.0358 128.3878 53.5866 44.0734 175.0736 81 V 4.3931 9.1151 128.2010 61.8756 33.1929 174.4977 82 I 5.0554 8.9143 129.5962 60.0970 39.3818 174.0679 83 Y 4.8584 9.0942 125.3658 56.1770 40.6530 175.1113 84 R 4.2016 8.6398 124.3898 54.7553 30.8495 176.7539 85 K 3.9205 8.7215 126.5562 59.7370 32.2228 179.2965 86 N 4.4102 7.9307 114.5506 55.4236 38.8531 174.6589 87 D 5.2096 8.0614 117.7011 51.4404 39.9729 177.7188 88 K 4.3603 8.0361 121.1500 60.3486 32.8857 178.6197 89 D 4.4063 8.1552 119.5243 56.0851 39.3696 178.1500 90 K 4.0897 7.9623 118.0823 57.1231 32.3265 176.0739 91 G 3.9402 7.9143 104.0275 43.4231 0.0000 171.4577 92 P 3.4180 0.0000 0.0000 61.9334 31.8661 176.7237 93 W 4.5719 8.7934 133.1246 60.3068 31.1953 176.3040 94 K 4.4419 7.8014 116.5194 54.8740 36.5086 175.1635 95 R 4.9298 8.0629 120.2737 54.7322 33.0790 174.4928 96 Y 4.4511 8.9123 122.5817 56.1270 39.8195 174.7454 97 D 4.6043 8.8438 125.0053 54.0714 41.9713 175.7170 98 L 4.3899 8.6440 125.8292 54.7914 42.2985 177.0986 99 N 4.6611 9.2969 119.2020 54.1638 39.7347 177.2389 100 G 3.8651 8.5238 105.6885 45.9520 0.0000 173.4695 101 R 4.6792 8.1491 118.6724 54.2444 33.8831 175.9584 102 S 4.8362 8.3129 112.9677 59.3878 64.5123 173.1797 103 C 5.3423 7.5720 119.4044 58.2155 34.8503 172.5315 104 Y 4.7833 9.0254 121.8553 56.1662 41.6109 174.0169 105 L 4.6115 9.7985 127.5414 54.2365 43.7431 175.2378 106 V 4.6271 8.6540 127.2549 61.6053 33.8091 175.0637 107 G 4.7301 8.2015 112.8035 46.2284 0.0000 172.0311 108 R 4.4910 8.6470 121.4072 56.6275 30.3700 176.6066 109 E 4.5170 9.1172 127.8233 55.9097 31.5301 175.2251 110 L 3.9828 10.4885 129.5348 55.8729 42.2753 178.5636 111 G 3.9116 8.6380 105.2461 47.2244 0.0000 174.0955 112 H 4.7026 8.2921 117.7537 56.7579 30.5700 175.7802 *122 T 4.0826 7.5528 113.8652 63.1406 69.3911 172.5755 123 E 4.5505 8.6059 125.7138 54.1258 31.6417 174.8341 124 I 4.0254 8.3731 126.8555 60.1494 38.7780 174.5837 125 V 4.3379 8.3357 127.3927 61.1977 33.0724 174.8266 126 V 4.1036 8.3288 125.8874 63.8205 33.0841 176.0445 127 A 4.2232 7.7267 121.0712 52.2038 18.9267 176.8310 128 D 4.5097 8.7173 120.7376 56.6606 42.1008 176.5412 129 I 3.7914 8.2745 121.6556 59.4268 38.3597 174.8952 130 G 4.7028 8.3051 114.5695 44.2300 0.0000 171.1129 131 I 4.5613 8.3723 127.1787 58.0886 39.9497 175.8011 132 P 4.7153 0.0000 0.0000 61.7787 30.8630 176.7720 133 E 4.5043 7.9350 118.9064 55.1143 30.1324 177.3442 134 E 3.9933 9.1401 124.9214 59.3315 29.5915 178.2679 135 T 4.4655 7.7456 105.1478 61.1805 69.5963 174.8723 136 S 4.4385 7.6180 117.0276 58.3919 63.9032 174.2368 137 S 4.5782 8.6542 117.6381 57.8507 64.1821 175.4705 138 K 3.9356 8.7429 121.7717 59.1956 32.9951 176.3355 139 Q 4.2967 8.0935 119.7700 55.0258 29.3486 174.8581 140 H 4.6999 9.2802 124.1757 57.3971 31.3577 174.2091 141 C 5.1870 7.7928 110.8469 57.0704 33.4036 172.2077 142 V 4.8896 8.8352 112.9158 59.6760 34.8925 174.9218 143 I 4.6228 8.7909 125.7005 59.8688 39.0099 174.4221 144 Q 4.9085 9.2187 129.3592 54.1797 31.6879 174.3444 145 F 4.9236 9.2925 126.3750 57.1518 40.6725 175.1316 146 R 4.8851 9.1013 121.3075 54.5527 34.2251 174.4171 147 N 4.8180 9.3025 122.9267 52.9270 38.9994 173.2550 148 V 4.0141 9.0148 125.5710 61.8703 30.4558 175.7934 149 R 3.9470 9.5372 129.4931 56.9372 28.3620 177.1176 150 G 4.0812 8.9507 104.5413 45.4578 0.0000 173.8307 151 I 4.6024 7.6137 120.7352 58.1369 38.7934 174.5156 152 L 4.2763 8.3777 128.4654 55.0190 42.2570 176.1064 153 K 4.7306 9.1503 124.9278 54.6785 36.9178 174.6361 154 C 4.7997 8.0075 121.2517 57.6952 34.7707 172.2153 155 Y 5.0933 8.5653 122.3257 56.0493 42.1059 174.5281 156 V 4.8860 8.6798 121.7621 60.3312 34.3984 174.3654 157 M 5.0480 8.8234 122.6280 53.7363 35.6389 173.5319 158 D 4.6925 8.6855 125.9978 53.4466 42.6903 176.3899 159 L 4.6356 8.3958 128.9421 54.9608 40.1921 176.7359 160 D 4.3240 7.7531 114.7076 55.3143 38.8127 174.6057 161 S 4.2941 7.8193 111.8468 58.0090 64.2310 175.2493 162 S 4.2430 8.4073 117.8523 61.4225 62.7221 175.5075 163 N 4.7037 8.3634 115.0045 52.5877 39.6207 175.7753 164 G 4.2496 8.0937 102.8162 45.5780 0.0000 172.6555 165 T 4.8201 7.7622 114.1339 61.7632 71.5961 173.1311 166 C 5.0668 8.9420 124.0925 58.0329 30.7177 172.3744 167 L 4.9108 9.0026 126.5204 53.3555 43.7373 176.1623 168 N 4.2542 9.8237 126.6117 54.6768 36.6377 174.8998 169 N 4.2821 8.3024 110.1921 53.6108 36.7066 174.4066 170 V 4.1674 7.5148 119.5956 60.6758 32.6872 174.9725 171 V 4.2414 8.2886 128.2249 63.0041 31.6833 175.5732 172 I 4.3135 8.4931 122.7071 59.4434 38.8096 174.1199 173 P 4.3858 0.0000 0.0000 62.6357 31.8524 176.5136 174 G 3.5611 8.6495 110.6996 46.5153 0.0000 172.6761 175 A 3.6054 8.3925 122.2921 52.5981 16.6939 177.5907 176 R 4.4715 7.6479 118.4938 55.9052 33.1176 174.2454 177 Y 4.6132 8.4872 124.4223 58.4494 38.7140 175.5168 178 I 4.7243 8.8628 124.4151 59.1258 40.7487 174.6497 179 E 3.9288 9.1000 128.2971 56.2349 30.1544 175.7255 180 L 4.7068 8.1067 126.9600 53.3391 43.4950 176.3539 181 R 4.8067 9.2908 120.9447 53.8491 33.8105 175.1053 182 S 4.3898 8.7820 115.2455 60.4012 62.6157 174.7733 183 G 4.0552 9.0243 116.2441 45.1342 0.0000 173.5524 184 D 4.7143 8.3015 120.5178 54.5649 42.2883 175.4720 185 V 4.7756 8.9948 122.6365 61.2679 33.8322 174.1544 186 L 5.4121 9.3814 128.6556 53.3817 44.0526 175.7020 187 T 4.9458 8.7524 112.3961 59.5447 72.5258 173.9850 188 L 4.7649 8.2580 121.5153 54.1853 42.3855 176.3342 189 S 4.7210 7.1041 107.4284 57.2300 65.4387 174.5942 190 E 3.8582 8.6277 123.7592 57.4949 29.5992 176.8508 191 F 4.8173 7.7925 119.8660 55.5545 39.6571 175.6053 192 E 3.9792 8.8573 128.3963 58.8210 29.8353 178.5578 193 E 3.9729 8.4650 115.8501 59.5005 29.2167 177.6606 194 D 4.5464 8.1864 116.6102 54.8069 41.3673 175.8141 195 N 5.0832 7.9631 117.9202 52.3989 39.1519 174.5984 196 D 4.6137 9.6615 123.4567 54.8164 42.1288 175.8546 197 Y 5.3378 8.5852 116.0282 55.9188 41.9403 174.7209 198 E 5.0032 9.2729 119.2670 54.6235 33.4867 174.4313 199 L 5.2382 9.1701 122.5910 53.2984 44.6058 175.2962 200 I 4.8797 9.1393 126.0183 59.4585 39.4044 174.8609 201 F 4.9047 9.2437 131.0316 58.2217 40.5269 173.9088 202 M 4.7972 8.6139 126.1110 53.4601 35.1108 174.3887 203 N 4.8975 8.5943 120.9070 51.7149 40.6732 175.6224 204 V 3.9799 8.1974 115.6862 61.5936 32.4759 175.2767 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 51 K 8.31 4.26 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 52 H 8.76 4.01 0.00 3.14 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.71 4.23 2.02 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 0.86 0.00 0.00 0.90 0.00 0.00 54 E 8.48 4.21 0.00 2.00 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 2.52 2.34 0.00 55 P 0.00 4.52 0.00 2.29 1.92 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.14 0.00 56 Q 8.58 4.05 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.21 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 57 D 7.99 4.70 0.00 3.01 2.88 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 58 A 7.30 4.76 1.39 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 0.00 0.00 59 I 8.09 4.62 1.95 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 1.47 1.19 0.98 0.00 0.00 60 S 8.56 4.56 0.00 4.04 3.95 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 61 P 0.00 4.04 0.00 2.04 1.99 0.00 3.46 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.00 62 D 8.28 4.42 0.00 2.73 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 63 N 8.15 4.35 0.00 2.79 2.89 0.00 0.00 6.74 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.12 3.98 0.00 3.07 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 65 M 8.74 4.29 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.07 0.00 66 D 8.50 4.38 0.00 2.86 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 67 M 7.81 4.01 0.00 1.89 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 68 L 7.41 4.24 0.00 1.70 1.65 0.74 0.73 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 69 G 7.88 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.38 4.44 0.00 1.68 1.62 1.01 0.84 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 71 E 8.59 4.16 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 72 A 8.87 3.99 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 73 R 7.99 4.02 0.00 1.92 2.07 0.00 3.00 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 74 D 8.04 4.79 0.00 2.78 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 75 R 7.50 4.72 0.00 1.88 1.91 0.00 3.06 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 1.78 1.55 0.00 76 T 8.22 4.25 4.20 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 0.55 0.00 0.00 77 M 7.94 4.96 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 78 Y 8.99 5.10 0.00 3.00 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 79 E 8.96 5.04 0.00 1.97 1.64 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 2.19 2.38 0.00 80 L 9.04 5.04 0.00 1.83 1.61 1.06 0.83 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 81 V 9.12 4.39 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 0.82 0.00 0.00 0.97 0.00 0.00 82 I 8.91 5.06 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 1.35 0.00 0.00 83 Y 9.09 4.86 0.00 3.06 2.92 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 84 R 8.64 4.20 0.00 1.46 1.76 0.00 2.83 0.00 0.00 2.67 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.00 85 K 8.72 3.92 0.00 1.72 1.77 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 86 N 7.93 4.41 0.00 2.57 2.80 0.00 0.00 6.65 8.06 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 87 D 8.06 5.21 0.00 2.88 2.78 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 88 K 8.04 4.36 0.00 2.03 2.37 0.00 1.14 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.34 7.81 89 D 8.16 4.41 0.00 2.89 2.98 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 90 K 7.96 4.09 0.00 1.90 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.56 7.81 91 G 7.91 3.94 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 0.00 0.00 0.00 92 P 0.00 3.42 0.00 1.82 1.41 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 1.92 1.87 0.00 93 W 8.79 4.57 0.00 3.27 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 4.44 0.00 1.41 1.04 0.00 0.86 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 0.21 7.81 95 R 8.06 4.93 0.00 1.50 1.83 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 96 Y 8.91 4.45 0.00 2.88 2.79 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 0.00 0.00 0.00 97 D 8.84 4.60 0.00 2.67 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 98 L 8.64 4.39 0.00 1.78 1.84 1.18 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 99 N 9.30 4.66 0.00 2.80 3.06 0.00 0.00 6.88 7.82 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 0.00 100 G 8.52 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.15 4.68 0.00 0.86 1.46 0.00 3.18 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 102 S 8.31 4.84 0.00 4.00 4.13 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 0.00 0.00 0.00 0.00 103 C 7.57 5.34 0.00 3.24 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 0.00 104 Y 9.03 4.78 0.00 2.99 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 0.00 105 L 9.80 4.61 0.00 1.73 1.68 0.96 0.93 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 0.00 106 V 8.65 4.63 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 0.83 0.00 0.00 0.90 0.00 0.00 107 G 8.20 4.73 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 0.00 0.00 0.00 108 R 8.65 4.49 0.00 2.10 1.87 0.00 3.44 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 109 E 9.12 4.52 0.00 2.04 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 110 L 10.49 3.98 0.00 1.50 1.51 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.64 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 0.00 112 H 8.29 4.70 0.00 3.16 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 T 7.55 4.08 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 0.00 123 E 8.61 4.55 0.00 1.90 1.82 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 2.18 2.26 0.00 124 I 8.37 4.03 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 1.31 0.83 0.92 0.00 0.00 125 V 8.34 4.34 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 0.91 0.00 0.00 0.94 0.00 0.00 126 V 8.33 4.10 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 0.94 0.00 0.00 127 A 7.73 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.72 4.51 0.00 2.68 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.27 3.79 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.79 -0.08 0.00 0.00 130 G 8.31 4.70 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 0.00 131 I 8.37 4.56 1.80 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 1.15 0.93 0.74 0.00 0.00 132 P 0.00 4.72 0.00 1.90 2.01 0.00 2.55 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.13 0.00 133 E 7.93 4.50 0.00 2.01 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 2.44 2.34 0.00 134 E 9.14 3.99 0.00 2.00 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 0.00 2.40 2.38 0.00 135 T 7.75 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 136 S 7.62 4.44 0.00 3.92 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 0.00 137 S 8.65 4.58 0.00 3.90 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 0.00 138 K 8.74 3.94 0.00 1.72 1.87 0.00 1.63 0.00 0.00 1.96 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.49 7.81 139 Q 8.09 4.30 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 140 H 9.28 4.70 0.00 3.40 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.79 5.19 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 0.00 142 V 8.84 4.89 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 0.61 0.00 0.00 0.84 0.00 0.00 143 I 8.79 4.62 1.94 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 1.00 0.63 0.67 0.00 0.00 144 Q 9.22 4.91 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 145 F 9.29 4.92 0.00 3.25 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 9.10 4.89 0.00 1.76 1.87 0.00 2.21 0.00 0.00 2.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 147 N 9.30 4.82 0.00 2.87 2.80 0.00 0.00 6.68 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 9.01 4.01 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 0.92 0.00 0.00 1.13 0.00 0.00 149 R 9.54 3.95 0.00 1.98 1.99 0.00 3.28 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 150 G 8.95 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.61 4.60 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.97 0.00 0.00 152 L 8.38 4.28 0.00 0.27 0.98 0.65 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.15 4.73 0.00 1.70 1.28 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.58 7.81 154 C 8.01 4.80 0.00 2.54 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 0.00 0.00 0.00 155 Y 8.57 5.09 0.00 2.75 2.85 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 0.00 0.00 0.00 156 V 8.68 4.89 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 0.74 0.00 0.00 0.91 0.00 0.00 157 M 8.82 5.05 0.00 1.86 1.51 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 158 D 8.69 4.69 0.00 2.81 2.46 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 0.00 0.00 0.00 0.00 159 L 8.40 4.64 0.00 1.60 1.59 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 160 D 7.75 4.32 0.00 2.71 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 0.00 161 S 7.82 4.29 0.00 3.63 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 0.00 162 S 8.41 4.24 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.36 4.70 0.00 2.83 2.92 0.00 0.00 7.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.09 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 0.00 0.00 0.00 0.00 165 T 7.76 4.82 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 1.23 0.00 0.00 166 C 8.94 5.07 0.00 2.85 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 0.00 167 L 9.00 4.91 0.00 1.69 1.51 0.96 0.52 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 0.00 168 N 9.82 4.25 0.00 2.83 2.84 0.00 0.00 7.15 7.75 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 0.00 169 N 8.30 4.28 0.00 2.86 2.96 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 0.00 170 V 7.51 4.17 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 0.92 0.00 0.00 0.98 0.00 0.00 171 V 8.29 4.24 2.02 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 0.79 0.00 0.00 0.82 0.00 0.00 172 I 8.49 4.31 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 1.48 0.69 0.90 0.00 0.00 173 P 0.00 4.39 0.00 2.07 2.07 0.00 3.75 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 1.97 1.96 0.00 174 G 8.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.39 3.61 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 0.00 176 R 7.65 4.47 0.00 1.86 1.71 0.00 3.24 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 177 Y 8.49 4.61 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.86 4.72 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 0.93 0.00 0.00 179 E 9.10 3.93 0.00 1.91 1.78 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 2.04 1.86 0.00 180 L 8.11 4.71 0.00 0.72 0.71 0.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 181 R 9.29 4.81 0.00 1.83 1.82 0.00 3.15 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 182 S 8.78 4.39 0.00 3.81 3.79 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 0.00 0.00 0.00 183 G 9.02 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 0.00 0.00 0.00 184 D 8.30 4.71 0.00 2.83 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 0.00 185 V 8.99 4.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 186 L 9.38 5.41 0.00 1.63 1.56 0.92 0.66 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 0.00 187 T 8.75 4.95 4.28 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 1.29 0.00 0.00 188 L 8.26 4.76 0.00 1.58 1.33 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.10 4.72 0.00 3.93 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 0.00 190 E 8.63 3.86 0.00 1.74 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 1.69 1.47 0.00 191 F 7.79 4.82 0.00 3.32 2.98 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 0.00 192 E 8.86 3.98 0.00 2.07 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 2.39 2.38 0.00 193 E 8.47 3.97 0.00 2.12 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 0.00 2.31 2.43 0.00 194 D 8.19 4.55 0.00 2.97 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 0.00 195 N 7.96 5.08 0.00 2.99 3.06 0.00 0.00 6.92 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 0.00 196 D 9.66 4.61 0.00 2.50 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 0.00 0.00 0.00 0.00 197 Y 8.59 5.34 0.00 2.98 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 0.00 198 E 9.27 5.00 0.00 2.09 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 2.24 2.42 0.00 199 L 9.17 5.24 0.00 1.65 1.70 0.94 0.72 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 0.00 200 I 9.14 4.88 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 1.06 0.00 0.00 201 F 9.24 4.90 0.00 3.08 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 0.00 202 M 8.61 4.80 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 203 N 8.59 4.90 0.00 2.45 2.48 0.00 0.00 6.78 8.36 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 0.00 204 V 8.20 3.98 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 0.52 0.00 0.00 0.80 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.