NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4778 8.1933 115.4121 58.1897 64.6995 173.6842 3 Q 3.9277 8.4522 117.7180 58.7488 28.3650 177.2842 4 S 4.0819 8.4748 116.4654 61.6354 63.3373 176.0016 5 N 4.2927 8.0615 118.6215 56.2559 38.2796 177.0598 6 R 3.8602 7.5674 118.8244 59.6176 30.2661 178.0143 7 E 3.8148 8.0140 118.5754 59.2329 29.5686 178.5746 8 L 3.9397 7.9391 120.3623 57.9767 42.0997 179.1686 9 V 3.5633 7.9037 118.3079 66.0499 31.4671 178.2193 10 V 2.7857 7.7925 118.1831 65.5373 31.1861 177.5767 11 D 4.0985 7.7888 117.4679 57.1798 41.1241 177.9159 12 F 4.0002 8.1667 121.1465 61.3815 39.3285 177.0580 13 L 4.1566 8.2665 118.6482 58.0025 41.4272 179.6032 14 S 4.2689 8.2014 115.2607 61.6990 62.7061 176.2744 15 Y 4.1011 7.9391 122.0487 60.7929 37.3554 177.9531 16 K 4.2800 7.7763 120.7103 58.8357 32.1165 179.3677 17 L 4.3638 8.2968 119.7746 57.8864 41.6072 179.7621 18 S 5.0096 8.0754 115.4112 60.9352 63.0165 176.3043 19 Q 4.0287 7.8603 121.1917 57.3678 28.0017 177.5272 20 K 4.0635 6.9520 118.3933 55.8316 32.4332 177.2049 21 G 3.6670 7.8522 106.6137 45.6466 0.0000 173.5286 22 Y 4.8286 7.3247 118.0390 56.6234 39.9687 174.3980 23 S 4.9061 8.3605 114.3323 56.6511 65.2457 173.1843 24 W 4.3526 9.2118 135.0000 60.5024 30.7446 175.2772 25 S 4.5692 7.8474 109.1818 57.1259 65.7154 175.2548 26 Q 3.8742 8.6339 121.5297 59.4383 29.2586 177.9961 *83 M 4.4153 8.0835 116.1041 55.2994 34.2002 177.3142 84 A 4.0189 7.9872 119.7874 55.2597 18.4444 179.5846 85 A 4.0055 8.3183 119.2990 55.2032 18.3653 180.0683 86 V 3.6131 7.9578 116.8091 66.0356 31.5158 178.3340 87 K 3.7517 8.0899 118.2917 59.5970 31.9041 179.1216 88 Q 3.9380 8.2457 119.4913 58.9929 28.9057 178.0904 89 A 4.0136 8.2330 122.0060 55.0063 18.3835 179.3775 90 L 4.0491 8.3643 119.3107 58.2940 42.0216 179.3380 91 R 3.8949 8.2128 118.2806 59.4864 30.0633 178.9745 92 E 4.0158 8.2693 118.0604 59.3430 29.3647 179.3137 93 A 4.3186 8.7346 121.5221 54.7722 18.3049 180.0433 94 G 3.5756 8.3582 104.6686 48.2740 0.0000 175.4696 95 D 4.4699 8.4603 122.6960 57.0322 40.8557 179.0122 96 E 3.9856 8.3148 119.4261 59.2304 29.8142 178.4115 97 F 4.1652 8.5791 120.9110 61.6722 39.4786 177.0396 98 E 4.1054 8.8515 118.1193 58.8444 29.2803 179.2600 99 L 3.9270 7.6196 121.0001 58.2888 42.0849 179.1196 100 R 3.9604 7.7540 115.8584 58.3265 30.1763 177.9053 101 Y 3.7017 7.4458 119.6821 60.0230 38.6981 177.4675 102 R 4.3036 8.0663 116.9346 59.0392 29.5344 178.4911 103 R 3.8146 7.7440 116.5609 57.5929 30.0800 177.4052 104 A 4.3777 6.9003 118.8870 53.6606 21.1965 175.3492 105 F 5.2469 8.0663 115.7786 56.2184 41.7954 173.5884 106 S 4.5885 8.4935 118.0001 59.2077 65.0661 174.6004 107 D 4.2218 8.2364 121.7204 52.6364 38.6869 176.0319 108 L 4.0935 8.3602 125.6988 57.4805 41.7772 178.1055 109 T 3.7600 7.5512 114.4084 63.6270 66.2819 174.7628 110 S 4.2215 5.8100 118.4588 59.2260 62.8304 171.4135 111 Q 4.6683 8.0036 129.1182 57.0957 36.9800 175.2502 112 L 4.0712 7.7277 117.3324 54.7903 42.5934 176.3712 113 H 4.8063 8.2794 117.3354 54.6002 29.1428 174.7158 114 I 4.5881 8.2600 125.8135 59.7833 39.1395 175.9988 115 T 4.7851 8.1140 112.8937 58.5219 72.9812 173.1616 116 P 4.3941 0.0000 0.0000 66.1526 31.5099 178.8726 117 G 3.8367 8.1775 102.2208 46.5588 0.0000 174.5328 118 T 4.7648 7.9541 111.1481 60.8100 70.1061 175.9308 119 A 4.1263 8.3116 124.8961 55.7045 18.3327 178.7395 120 Y 2.6979 7.9618 116.9874 60.6098 38.3067 178.0697 121 Q 3.7738 8.0464 118.2374 59.2677 28.7590 179.2935 122 S 4.1012 7.7474 115.7417 61.2968 62.8008 176.3577 123 F 4.2138 8.3068 123.5796 61.5353 39.2175 176.8486 124 E 3.7198 8.1182 119.1049 59.0788 29.2786 178.9107 125 Q 3.7778 7.7726 118.1491 58.7954 28.7957 178.4107 126 V 3.2317 7.6121 119.2511 66.1528 31.1524 178.2926 127 V 3.2035 7.3866 117.7291 65.8708 30.9946 177.7521 128 N 4.4361 7.6929 115.5021 55.9764 38.6111 176.8453 129 E 3.9587 7.9470 120.8309 59.1698 29.5772 178.3097 130 L 3.6743 7.5329 119.2988 57.4445 41.9469 178.0472 131 F 5.1048 7.0585 114.9856 56.1187 39.5305 176.9155 132 R 4.0871 7.7590 120.3663 58.8925 30.4101 177.9200 133 D 4.7777 7.7183 116.3313 53.3673 39.6893 175.6382 134 G 4.0513 7.9624 105.3431 45.5287 0.0000 173.2226 135 V 4.2207 7.4266 118.3883 60.5265 34.5134 174.8773 136 N 4.0062 7.5181 120.0277 50.2676 40.7035 175.3652 137 W 4.7695 8.6782 122.3542 60.5150 29.2777 178.8525 138 G 3.9627 8.6730 104.7223 48.2054 0.0000 175.6424 139 R 4.0063 8.5345 120.0714 58.8278 30.0948 179.1068 140 I 4.0665 7.8711 119.9293 64.4941 37.0574 178.6124 141 V 3.7599 8.7477 119.2950 65.8117 31.2469 177.9319 142 A 2.8489 7.7963 120.5922 54.6979 18.2085 178.9358 143 F 4.0708 8.8301 119.4181 61.8074 39.3611 177.2078 144 F 3.8665 8.7001 116.8799 60.8596 38.7535 177.9552 145 S 4.1634 8.3201 114.6786 61.5073 62.5352 176.6117 146 F 4.3418 8.5138 123.6379 61.2626 39.2268 177.3878 147 G 3.4325 7.9859 105.4830 47.7069 0.0000 175.8992 148 G 3.5755 8.1976 108.0514 47.4272 0.0000 175.6460 149 A 4.0846 8.2586 123.3128 54.3701 18.4011 179.5005 150 L 3.7911 7.7970 119.3894 58.3797 42.0765 179.0510 151 C 4.0343 7.8501 116.5048 62.7411 28.1064 176.1766 152 V 3.5341 7.5744 119.5390 65.8656 31.0314 177.4773 153 E 3.8796 8.2405 118.9862 59.4829 29.4894 178.6430 154 S 4.1035 8.3263 115.4511 61.9180 62.8851 177.1327 155 V 3.5544 7.8876 120.4312 65.9683 31.0481 177.4248 156 D 4.4427 8.2296 117.9778 57.5236 40.7980 178.5125 157 K 4.3380 7.9272 115.4017 55.5319 32.4465 176.6142 158 E 3.8453 8.3667 117.5213 58.4437 27.3431 174.4469 159 M 4.8381 8.2846 114.6314 54.1289 33.3726 178.3544 160 Q 3.9293 8.3972 120.0304 59.7438 28.1035 178.1111 161 V 3.5096 7.9268 120.0928 64.6775 30.9976 178.0022 162 L 3.8805 8.2450 119.9024 56.8655 41.4534 178.9570 163 V 3.3891 7.6987 118.9937 66.3517 31.3803 178.1180 164 S 3.9727 7.8036 111.8298 61.1700 62.1372 176.1473 165 R 3.3297 6.8109 121.8013 58.6348 29.6416 178.8611 166 I 2.8940 7.3368 119.5800 63.9163 37.0452 178.0131 167 A 3.8447 7.5063 121.3039 55.3859 18.1402 179.6416 168 A 3.9260 7.4789 118.8545 55.0530 18.4143 179.9219 169 W 4.4266 8.0170 117.9260 60.2216 28.9573 178.7309 170 M 4.7261 8.5158 118.9802 58.2699 31.3024 178.6331 171 A 4.1337 8.1795 121.0415 55.5445 18.5565 179.8115 172 T 3.8793 8.2307 114.2378 66.9792 68.6064 176.2393 173 Y 3.9046 8.3898 121.3906 60.7067 39.0165 177.8953 174 L 3.9500 8.6565 121.6533 58.2823 41.9771 178.6777 175 N 4.4583 8.3417 115.8532 56.0238 38.6634 176.7144 176 D 4.4326 8.6028 119.6252 55.9216 41.2392 176.8959 177 H 4.6808 8.2603 113.2909 54.4460 30.9841 174.5853 178 L 4.2871 7.4025 118.1071 55.1568 42.8591 177.7659 179 E 3.9252 7.8583 119.4025 58.9615 29.3961 177.0619 180 P 4.1844 0.0000 0.0000 65.2779 31.4482 178.2415 181 W 3.8326 8.0404 126.3934 60.4568 30.7037 177.5318 182 I 3.3112 8.2087 120.0735 64.5641 36.2799 178.1727 183 Q 3.9276 8.3187 120.4314 59.1288 28.7280 177.5674 184 E 4.0928 8.1755 118.4719 57.5929 29.6516 176.6640 185 N 4.4159 7.1470 115.0437 53.4388 38.6894 175.4940 186 G 4.4134 7.3056 104.5744 45.1916 0.0000 175.3595 187 G 4.0262 8.7693 111.1813 44.2060 0.0000 174.7420 188 W 4.4220 8.6386 117.5057 59.9987 28.7817 178.5336 189 D 4.4808 8.3411 118.4578 57.5679 40.2100 178.7148 190 T 3.9343 8.0702 116.5444 66.2798 68.4613 176.4277 191 F 3.3397 7.8143 122.1606 61.1121 39.2517 176.9704 192 V 3.5126 8.1110 117.8057 66.2582 31.0535 177.7428 193 E 3.9148 7.7256 116.5965 59.5148 29.3642 179.1473 194 L 3.9404 7.9061 118.1870 56.8384 41.8079 177.4692 195 Y 4.3160 7.6809 113.2427 57.0571 39.3368 176.1804 196 G 3.6375 8.2674 109.5095 45.8793 0.0000 173.1187 197 N 4.1067 8.4445 114.9911 54.4433 35.9805 174.4680 198 N 4.5920 8.3082 117.9042 53.4831 39.4857 175.1022 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 2 S 8.19 4.48 0.00 4.01 4.11 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 0.00 0.00 0.00 0.00 3 Q 8.45 3.93 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 4 S 8.47 4.08 0.00 3.91 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 5 N 8.06 4.29 0.00 2.72 2.85 0.00 0.00 6.67 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 6 R 7.57 3.86 0.00 1.97 2.08 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 7 E 8.01 3.81 0.00 2.38 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 2.25 2.29 0.00 8 L 7.94 3.94 0.00 1.99 1.61 0.89 0.69 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 9 V 7.90 3.56 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 0.97 0.00 0.00 0.95 0.00 0.00 10 V 7.79 2.79 1.73 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 -0.07 0.00 0.00 0.66 0.00 0.00 11 D 7.79 4.10 0.00 2.86 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 12 F 8.17 4.00 0.00 3.15 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 13 L 8.27 4.16 0.00 1.80 1.96 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.20 4.27 0.00 3.96 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 15 Y 7.94 4.10 0.00 2.96 2.90 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 16 K 7.78 4.28 0.00 1.76 1.77 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.90 1.35 7.81 17 L 8.30 4.36 0.00 2.02 1.91 1.17 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.08 5.01 0.00 4.07 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 19 Q 7.86 4.03 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 20 K 6.95 4.06 0.00 1.67 1.43 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 21 G 7.85 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.32 4.83 0.00 3.23 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 23 S 8.36 4.91 0.00 3.85 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 24 W 9.21 4.35 0.00 3.48 3.13 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 25 S 7.85 4.57 0.00 4.15 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 26 Q 8.63 3.87 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.53 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 *83 M 8.08 4.42 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 84 A 7.99 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.32 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.96 3.61 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 0.70 0.00 0.00 1.12 0.00 0.00 87 K 8.09 3.75 0.00 1.97 1.78 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.60 7.81 88 Q 8.25 3.94 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 89 A 8.23 4.01 1.46 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 0.00 0.00 90 L 8.36 4.05 0.00 1.47 1.49 0.45 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.21 3.89 0.00 2.03 1.97 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 92 E 8.27 4.02 0.00 2.29 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 2.36 2.45 0.00 93 A 8.73 4.32 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.36 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.46 4.47 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.31 3.99 0.00 2.27 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 2.43 2.49 0.00 97 F 8.58 4.17 0.00 3.30 3.34 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 98 E 8.85 4.11 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 99 L 7.62 3.93 0.00 1.87 1.85 0.93 0.92 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 0.00 100 R 7.75 3.96 0.00 1.82 1.84 0.00 3.54 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 101 Y 7.45 3.70 0.00 2.73 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 0.00 102 R 8.07 4.30 0.00 2.17 2.28 0.00 2.85 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 103 R 7.74 3.81 0.00 1.81 1.93 0.00 3.06 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 104 A 6.90 4.38 0.46 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 0.00 0.00 105 F 8.07 5.25 0.00 2.72 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 0.00 106 S 8.49 4.59 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.24 4.22 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.36 4.09 0.00 1.64 1.04 0.79 0.36 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 0.00 109 T 7.55 3.76 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 1.25 0.00 0.00 110 S 5.81 4.22 0.00 3.94 3.96 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 0.00 111 Q 8.00 4.67 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 112 L 7.73 4.07 0.00 1.68 1.61 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.28 4.81 0.00 3.17 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.26 4.59 1.92 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 1.53 0.89 0.98 0.00 0.00 115 T 8.11 4.79 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 1.25 0.00 0.00 116 P 0.00 4.39 0.00 2.08 2.21 0.00 3.71 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 2.05 2.20 0.00 117 G 8.18 3.84 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 0.00 0.00 0.00 118 T 7.95 4.76 4.29 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 1.25 0.00 0.00 119 A 8.31 4.13 1.75 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 0.00 0.00 120 Y 7.96 2.70 0.00 2.37 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 0.00 121 Q 8.05 3.77 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 122 S 7.75 4.10 0.00 4.05 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 0.00 123 F 8.31 4.21 0.00 3.22 2.87 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 0.00 124 E 8.12 3.72 0.00 1.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 125 Q 7.77 3.78 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 126 V 7.61 3.23 1.54 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 0.04 0.00 0.00 0.70 0.00 0.00 127 V 7.39 3.20 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.28 0.00 0.00 128 N 7.69 4.44 0.00 2.84 2.85 0.00 0.00 7.00 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 0.00 129 E 7.95 3.96 0.00 2.05 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 2.19 2.22 0.00 130 L 7.53 3.67 0.00 1.19 1.21 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.06 5.10 0.00 3.08 2.90 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 0.00 132 R 7.76 4.09 0.00 1.96 1.94 0.00 3.22 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 133 D 7.72 4.78 0.00 2.80 2.70 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 0.00 134 G 7.96 4.05 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 0.00 0.00 0.00 135 V 7.43 4.22 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 0.00 0.00 -0.37 0.00 0.00 0.58 0.00 0.00 136 N 7.52 4.01 0.00 3.03 2.78 0.00 0.00 6.09 8.88 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 0.00 137 W 8.68 4.77 0.00 3.85 3.58 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 0.00 0.00 0.00 0.00 138 G 8.67 3.96 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 0.00 0.00 0.00 139 R 8.53 4.01 0.00 2.02 1.72 0.00 3.06 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 140 I 7.87 4.07 2.26 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 1.44 0.00 0.00 141 V 8.75 3.76 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 1.05 0.00 0.00 1.08 0.00 0.00 142 A 7.80 2.85 1.22 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 0.00 0.00 0.00 143 F 8.83 4.07 0.00 3.33 3.45 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 0.00 0.00 0.00 0.00 144 F 8.70 3.87 0.00 3.28 3.10 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 0.00 145 S 8.32 4.16 0.00 3.97 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 0.00 146 F 8.51 4.34 0.00 2.99 3.09 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 0.00 147 G 7.99 3.43 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 0.00 148 G 8.20 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.26 4.08 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 0.00 150 L 7.80 3.79 0.00 1.63 1.55 0.78 0.64 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 0.00 151 C 7.85 4.03 0.00 3.12 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 0.00 152 V 7.57 3.53 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 1.00 0.00 0.00 0.98 0.00 0.00 153 E 8.24 3.88 0.00 2.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 154 S 8.33 4.10 0.00 4.01 4.05 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 0.00 155 V 7.89 3.55 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 1.10 0.00 0.00 0.94 0.00 0.00 156 D 8.23 4.44 0.00 2.91 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 0.00 157 K 7.93 4.34 0.00 1.73 1.83 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.49 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.74 1.63 7.81 158 E 8.37 3.85 0.00 2.10 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 2.24 2.26 0.00 159 M 8.28 4.84 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 160 Q 8.40 3.93 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 161 V 7.93 3.51 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 0.92 0.00 0.00 0.88 0.00 0.00 162 L 8.24 3.88 0.00 1.70 1.62 0.97 0.69 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 0.00 163 V 7.70 3.39 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 0.90 0.00 0.00 0.89 0.00 0.00 164 S 7.80 3.97 0.00 3.81 3.69 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 0.00 165 R 6.81 3.33 0.00 1.06 0.74 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 166 I 7.34 2.89 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.40 0.71 0.00 0.00 167 A 7.51 3.84 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.48 3.93 1.22 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 0.00 0.00 0.00 169 W 8.02 4.43 0.00 2.80 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 0.00 170 M 8.52 4.73 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 171 A 8.18 4.13 1.47 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 0.00 0.00 172 T 8.23 3.88 4.61 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 1.34 0.00 0.00 173 Y 8.39 3.90 0.00 3.59 3.45 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 0.00 0.00 0.00 0.00 174 L 8.66 3.95 0.00 2.18 2.05 1.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.34 4.46 0.00 2.85 2.88 0.00 0.00 7.07 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.60 4.43 0.00 2.40 2.28 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 0.00 177 H 8.26 4.68 0.00 1.97 2.79 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.40 4.29 0.00 1.63 1.44 0.25 -0.37 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 0.00 179 E 7.86 3.93 0.00 2.26 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 2.34 2.43 0.00 180 P 0.00 4.18 0.00 2.18 2.06 0.00 3.54 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 2.06 2.11 0.00 181 W 8.04 3.83 0.00 3.26 3.16 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 0.00 182 I 8.21 3.31 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.67 0.00 0.00 183 Q 8.32 3.93 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 184 E 8.18 4.09 0.00 1.91 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 2.10 2.22 0.00 185 N 7.15 4.42 0.00 1.44 1.75 0.00 0.00 7.21 7.33 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 0.00 186 G 7.31 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.77 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 0.00 188 W 8.64 4.42 0.00 3.52 3.32 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 0.00 189 D 8.34 4.48 0.00 2.77 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 0.00 190 T 8.07 3.93 4.46 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 1.31 0.00 0.00 191 F 7.81 3.34 0.00 1.52 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.11 3.51 2.32 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 0.99 0.00 0.00 1.14 0.00 0.00 193 E 7.73 3.91 0.00 2.14 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 2.33 2.35 0.00 194 L 7.91 3.94 0.00 1.50 1.28 1.03 0.99 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 0.00 195 Y 7.68 4.32 0.00 1.88 2.69 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 0.00 196 G 8.27 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 0.00 197 N 8.44 4.11 0.00 2.74 2.77 0.00 0.00 6.71 8.00 0.00 0.00 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 N 8.31 4.59 0.00 2.82 2.69 0.00 0.00 6.68 8.88 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 * Residues marked with a * may have inaccurate shift predictions.