NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3227 8.2033 119.6879 55.8077 30.5119 174.5824 4 S 3.9282 8.6629 113.7292 62.4488 62.6704 175.2023 5 N 4.3444 8.2651 118.7571 56.2584 38.6830 177.1497 6 R 3.8805 7.8562 119.7704 59.4213 30.2206 178.2925 7 E 3.9091 8.3013 118.5079 58.9696 29.3239 179.0228 8 L 3.8756 7.9320 120.4625 58.1260 42.1481 178.8871 9 V 3.5218 7.6025 118.1612 66.2565 31.2908 178.1653 10 V 2.6442 7.6679 117.6497 65.5894 31.2633 177.4176 11 D 4.1949 8.1328 117.9828 57.3502 41.0507 178.0817 12 F 4.0266 8.5180 121.5039 61.2704 39.4107 177.1777 13 L 4.0766 8.2675 118.8994 57.8097 41.3003 179.6254 14 S 4.2576 8.2115 115.4704 61.6082 62.7561 176.0982 15 Y 4.1462 7.9164 122.1339 60.8129 37.0509 178.2331 16 K 3.7220 7.8360 119.3970 59.2085 32.0181 179.3699 17 L 4.1892 8.1103 119.5508 57.9246 41.6267 179.7078 18 S 4.6099 8.1857 115.5607 61.1031 62.5498 176.5291 19 Q 3.9101 7.7117 120.5221 57.6045 28.3744 177.7298 20 K 4.2890 7.0295 115.6720 55.4480 32.5772 176.9677 21 G 3.7086 7.8339 107.3646 45.7092 0.0000 173.1087 22 Y 5.0053 7.6313 118.6514 56.5272 40.2966 174.4403 23 S 4.9505 8.1301 113.0910 57.0403 65.7480 174.2047 24 W 4.3771 9.0455 132.9855 60.4193 30.8658 175.8403 25 S 4.3715 7.6482 110.1732 56.9356 65.2263 174.8993 26 Q 3.7842 8.6340 121.7611 59.4363 29.1298 177.8967 *83 M 4.3436 8.0882 115.8588 55.5126 34.0558 176.7897 84 A 4.0426 8.1208 120.0996 55.2583 18.3469 179.4109 85 A 3.9640 8.4077 119.4597 55.2221 18.3758 179.9246 86 V 3.5850 7.9657 116.6770 66.1569 31.6071 177.9566 87 K 3.6832 8.1072 118.3488 59.7908 31.9519 178.8934 88 Q 3.9563 8.4529 119.3549 59.2765 29.0048 178.1861 89 A 4.0244 8.3155 121.9854 55.0314 18.2732 179.4486 90 L 4.1106 8.3453 119.1397 58.2953 42.1500 179.1539 91 R 3.9336 8.3447 118.5002 59.5337 30.0660 178.9384 92 E 3.9866 8.4487 117.9021 59.4052 29.5208 179.2428 93 A 4.2516 8.7133 121.4487 55.0042 18.4018 179.9172 94 G 3.6275 8.5371 104.5099 48.2419 0.0000 175.4772 95 D 4.3982 8.1138 122.0557 57.1081 40.8498 178.8018 96 E 3.9939 8.3709 119.6383 58.9058 29.6852 178.2905 97 F 4.3192 8.8357 121.2133 61.7285 39.2419 177.0862 98 E 3.4252 8.0813 116.5353 58.8024 29.1536 178.9788 99 L 4.0455 7.5207 119.7176 58.2542 42.3614 178.9003 100 R 3.8232 8.1962 116.9956 58.0043 31.1359 176.8874 101 Y 4.6346 7.9489 115.8547 56.7241 38.4236 177.1442 102 R 4.0564 7.7869 120.6451 59.5388 29.6859 178.5025 103 R 3.8986 8.0365 118.5393 58.9323 30.1417 178.7798 104 A 4.0602 8.0486 119.8441 54.9056 18.5621 178.8624 105 F 4.3821 8.5216 119.6744 61.9953 39.3380 177.6057 106 S 3.9255 7.9016 114.0438 61.6795 62.4291 176.2781 107 D 4.3324 7.4513 119.0495 57.5769 41.0500 178.5843 108 L 4.0112 7.9402 120.7817 58.1504 41.8683 178.7244 109 T 4.4909 7.7317 108.2242 63.3276 69.0470 175.9233 110 S 4.7392 7.7153 116.1866 58.0158 63.3629 174.1056 111 Q 4.5385 7.3704 116.9860 55.7431 28.5484 175.2620 112 L 4.4267 7.7543 120.5344 54.7270 44.0110 174.2065 113 H 4.8082 8.8974 122.5792 54.2254 29.8754 174.5120 114 I 4.3086 8.2753 125.2824 60.1611 38.3540 175.0103 115 T 4.7054 8.0160 113.7592 58.7379 71.7168 172.9148 116 P 4.3383 0.0000 0.0000 64.6731 31.3357 177.8566 117 G 3.8660 7.7940 106.3307 46.8772 0.0000 174.6446 118 T 4.0700 7.8367 110.5387 61.4611 69.6904 174.0928 119 A 4.6118 8.2803 126.7531 51.1647 20.7920 177.5401 120 Y 2.5985 8.5012 120.8932 60.6463 38.7540 178.5094 121 Q 3.9592 8.1838 119.6962 59.3280 28.7186 178.3306 122 S 4.1430 7.7204 113.6478 60.4317 62.4267 175.9294 123 F 4.0783 7.3831 123.2529 61.0556 39.1470 176.2887 124 E 3.8004 7.9828 119.5642 59.4844 29.0854 178.8915 125 Q 3.9824 7.5063 115.7455 58.8055 29.0322 178.1248 126 V 3.5296 7.3439 120.2708 65.8951 31.5655 178.2695 127 V 3.1763 7.3978 117.8781 65.6846 31.3160 177.5598 128 N 4.4045 8.3558 116.8593 56.3666 38.4643 176.6953 129 E 3.8346 7.7391 120.3264 59.2934 29.4018 178.7376 130 L 3.7081 7.3655 119.3252 57.1350 42.1190 177.9570 131 F 4.6311 7.3717 115.6360 57.0165 39.0095 177.4097 132 R 3.2820 7.3681 121.1757 58.9865 29.8544 176.7767 133 D 4.7482 7.9802 115.5289 53.3776 41.2608 175.5280 134 G 3.8846 8.8857 113.3233 44.1074 0.0000 174.4675 135 V 3.3323 7.6212 118.8011 62.6795 31.8115 175.2074 136 N 4.7271 7.6431 122.0708 50.2702 41.7064 175.4883 137 W 4.3358 8.8559 119.7252 59.8864 29.0385 179.0215 138 G 3.5949 8.1886 105.3130 47.8198 0.0000 175.8726 139 R 3.6666 8.8532 120.6160 58.7570 29.9463 179.2596 140 I 4.0132 7.4781 120.1203 64.3311 37.1031 178.4840 141 V 3.7737 8.0479 118.8934 66.1248 31.3311 177.7875 142 A 3.2482 7.7298 120.5306 54.8476 17.9994 179.3856 143 F 4.1394 8.2702 119.0219 61.4481 39.4169 177.3322 144 F 3.7944 8.7081 117.3465 60.7378 38.7748 177.6903 145 S 4.2900 8.6684 115.1301 61.6603 62.5677 176.5711 146 F 4.5577 8.9060 123.7456 61.4694 39.1892 177.2964 147 G 3.5285 8.1932 105.4153 47.7939 0.0000 175.7558 148 G 3.6903 8.4412 108.3108 47.4961 0.0000 175.6898 149 A 4.1101 8.2243 123.1415 54.7084 18.4155 179.4943 150 L 3.7795 7.8649 117.8010 58.3571 41.6882 179.7094 151 C 4.0636 8.0452 116.3602 62.6948 27.9408 176.3812 152 V 3.5645 7.8413 119.9261 65.9759 31.1552 177.7704 153 E 4.0532 8.4439 119.2393 59.2589 29.4079 179.0206 154 S 4.1037 7.9234 115.5890 61.4167 62.8513 176.7328 155 V 3.7020 7.8128 121.0684 65.8415 31.0169 177.7974 156 D 4.4179 8.1865 118.3379 56.9326 40.6589 177.8377 157 K 4.4131 7.8391 116.6281 55.7396 32.4483 176.5392 158 E 3.8254 7.9317 116.4815 57.8675 28.0355 174.9636 159 M 4.7945 8.2269 114.9276 53.9145 32.6152 177.2334 160 Q 4.1079 7.9924 120.3066 59.0954 29.2796 177.3705 161 V 3.7050 7.6343 111.6599 63.8264 31.8262 177.5047 162 L 4.0022 8.1726 118.9905 56.5035 41.3827 179.2183 163 V 3.4201 7.4994 119.3214 65.9528 31.4736 178.1214 164 S 3.9886 7.8467 113.4254 61.1721 62.7611 176.3609 165 R 3.4994 7.5231 121.9066 59.0862 29.8132 178.2472 166 I 2.8998 7.1996 119.4375 63.9606 36.9771 178.0471 167 A 3.8954 7.9714 121.5290 55.2780 18.1181 179.4724 168 A 3.9500 7.8305 119.0224 55.1317 18.3178 179.8936 169 W 4.3858 8.2879 117.7809 60.2659 29.0774 178.6293 170 M 4.5709 8.5323 118.7875 58.6547 31.3732 178.6816 171 A 4.2302 8.4058 120.9486 55.4152 18.4124 179.8446 172 T 3.8256 8.4042 114.4681 67.0253 68.5859 176.1966 173 Y 4.0674 8.8089 121.7084 60.5951 38.8568 177.7175 174 L 3.9621 8.7355 121.6486 58.5953 42.0588 178.8463 175 N 4.5161 8.3142 114.8765 56.0764 38.5445 177.1488 176 D 4.3120 8.2090 120.1645 57.4243 41.0657 177.7368 177 H 4.3788 7.6938 114.8612 57.4206 29.5415 176.9891 178 L 4.1458 7.3876 119.4255 56.3237 42.2275 178.3074 179 E 3.9581 8.4820 119.8336 58.9009 29.6655 177.1450 180 P 4.2263 0.0000 0.0000 65.1152 31.4020 178.3126 181 W 3.8923 8.0351 126.6467 60.4463 30.6107 177.6678 182 I 3.3827 8.0372 119.9216 64.5784 36.3493 178.1723 183 Q 3.9707 8.0539 117.5049 59.3247 28.6935 179.0334 184 E 4.0220 7.7421 117.1283 58.0135 29.4698 177.8610 185 N 4.6690 7.3646 116.2494 52.4832 40.1047 175.8044 186 G 4.3107 7.5116 108.2148 45.6853 0.0000 175.2311 187 G 4.0540 8.3977 109.1824 44.6560 0.0000 174.7568 188 W 4.3616 8.7634 117.3935 59.9181 28.8567 178.2902 189 D 4.4668 8.4844 118.4565 57.9753 40.3427 179.0314 190 T 3.9092 7.8989 115.7471 66.2078 68.4683 176.4384 191 F 3.3518 7.6947 122.2214 61.1807 39.1752 177.1701 192 V 3.3816 8.0343 117.7151 66.1249 31.0889 177.8547 193 E 3.9031 7.7993 116.9389 59.0122 29.2731 178.8346 194 L 3.9145 7.0965 117.6450 56.3877 42.0950 177.1520 195 Y 4.6551 7.2651 111.6431 56.8033 40.0275 175.7029 196 G 3.6608 7.6341 114.2589 45.7788 0.0000 173.4452 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 3 Q 8.20 4.32 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 4 S 8.66 3.93 0.00 3.93 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 5 N 8.27 4.34 0.00 2.71 2.84 0.00 0.00 6.62 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 7.86 3.88 0.00 1.92 2.07 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 7 E 8.30 3.91 0.00 2.19 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 2.32 2.39 0.00 8 L 7.93 3.88 0.00 1.93 1.74 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.60 3.52 2.14 0.00 0.00 0.00 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 0.90 0.00 0.00 10 V 7.67 2.64 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 0.31 0.00 0.00 0.58 0.00 0.00 11 D 8.13 4.19 0.00 2.83 2.77 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 12 F 8.52 4.03 0.00 3.20 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 13 L 8.27 4.08 0.00 1.52 1.77 0.90 1.19 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 14 S 8.21 4.26 0.00 3.99 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 15 Y 7.92 4.15 0.00 2.94 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 16 K 7.84 3.72 0.00 1.69 1.74 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.74 1.48 7.81 17 L 8.11 4.19 0.00 2.04 1.88 1.22 0.83 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 18 S 8.19 4.61 0.00 4.05 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 7.71 3.91 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 20 K 7.03 4.29 0.00 1.44 1.36 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.51 7.81 21 G 7.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.63 5.01 0.00 3.16 2.77 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 23 S 8.13 4.95 0.00 4.01 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 24 W 9.05 4.38 0.00 3.39 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.65 4.37 0.00 3.90 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 26 Q 8.63 3.78 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.53 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 *83 M 8.09 4.34 0.00 2.23 2.12 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 2.60 2.64 0.00 84 A 8.12 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.41 3.96 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.97 3.59 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 0.70 0.00 0.00 1.12 0.00 0.00 87 K 8.11 3.68 0.00 1.97 1.83 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 88 Q 8.45 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 89 A 8.32 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.35 4.11 0.00 1.62 1.63 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.34 3.93 0.00 2.05 2.00 0.00 3.33 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 1.65 1.86 0.00 92 E 8.45 3.99 0.00 2.19 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 2.36 2.50 0.00 93 A 8.71 4.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.63 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 0.00 0.00 0.00 95 D 8.11 4.40 0.00 2.91 2.77 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 96 E 8.37 3.99 0.00 2.21 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 2.36 2.34 0.00 97 F 8.84 4.32 0.00 3.15 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 98 E 8.08 3.43 0.00 1.99 1.60 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 1.47 2.07 0.00 99 L 7.52 4.05 0.00 1.60 1.88 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.20 3.82 0.00 1.65 1.36 0.00 3.26 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 101 Y 7.95 4.63 0.00 2.25 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 0.00 102 R 7.79 4.06 0.00 2.09 2.34 0.00 2.96 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 103 R 8.04 3.90 0.00 1.90 2.05 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 104 A 8.05 4.06 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 0.00 105 F 8.52 4.38 0.00 3.03 3.33 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 0.00 106 S 7.90 3.93 0.00 3.99 3.86 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 0.00 107 D 7.45 4.33 0.00 2.85 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 0.00 108 L 7.94 4.01 0.00 1.77 1.70 0.76 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.73 4.49 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 1.06 0.00 0.00 110 S 7.72 4.74 0.00 4.05 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 7.37 4.54 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 112 L 7.75 4.43 0.00 1.84 1.77 1.24 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.90 4.81 0.00 3.31 3.28 0.00 5.59 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 0.00 114 I 8.28 4.31 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.48 0.98 0.00 0.00 115 T 8.02 4.71 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 1.08 0.00 0.00 116 P 0.00 4.34 0.00 2.06 2.15 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 117 G 7.79 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 0.00 118 T 7.84 4.07 4.35 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 1.40 0.00 0.00 119 A 8.28 4.61 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 0.00 120 Y 8.50 2.60 0.00 2.53 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 0.00 121 Q 8.18 3.96 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 122 S 7.72 4.14 0.00 3.92 3.93 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 0.00 0.00 0.00 123 F 7.38 4.08 0.00 2.63 2.43 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 0.00 124 E 7.98 3.80 0.00 1.38 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 2.42 2.56 0.00 125 Q 7.51 3.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 126 V 7.34 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 0.62 0.00 0.00 0.97 0.00 0.00 127 V 7.40 3.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.14 0.00 0.00 128 N 8.36 4.40 0.00 2.90 2.84 0.00 0.00 6.58 7.20 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 0.00 129 E 7.74 3.83 0.00 1.93 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 2.20 2.25 0.00 130 L 7.37 3.71 0.00 1.21 1.36 0.56 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.37 4.63 0.00 3.06 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 0.00 132 R 7.37 3.28 0.00 2.01 1.94 0.00 3.24 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 133 D 7.98 4.75 0.00 2.61 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 0.00 134 G 8.89 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 0.00 135 V 7.62 3.33 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 -0.75 0.00 0.00 0.16 0.00 0.00 136 N 7.64 4.73 0.00 3.06 2.87 0.00 0.00 6.19 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 8.86 4.34 0.00 3.66 3.61 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 0.00 138 G 8.19 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.67 0.00 1.72 1.40 0.00 3.15 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 140 I 7.48 4.01 2.16 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 1.34 0.00 0.00 141 V 8.05 3.77 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 1.06 0.00 0.00 1.15 0.00 0.00 142 A 7.73 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.27 4.14 0.00 3.12 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 0.00 144 F 8.71 3.79 0.00 3.36 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 0.00 145 S 8.67 4.29 0.00 4.18 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.91 4.56 0.00 3.14 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 0.00 147 G 8.19 3.53 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 0.00 0.00 0.00 148 G 8.44 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 0.00 0.00 0.00 149 A 8.22 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.86 3.78 0.00 1.67 1.57 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.05 4.06 0.00 3.07 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 0.00 152 V 7.84 3.56 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 1.09 0.00 0.00 0.96 0.00 0.00 153 E 8.44 4.05 0.00 2.03 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 2.29 2.33 0.00 154 S 7.92 4.10 0.00 4.01 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 0.00 155 V 7.81 3.70 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 1.07 0.00 0.00 0.95 0.00 0.00 156 D 8.19 4.42 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 0.00 157 K 7.84 4.41 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.51 7.81 158 E 7.93 3.83 0.00 2.12 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 0.00 2.23 2.25 0.00 159 M 8.23 4.79 0.00 1.92 1.93 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 2.47 2.39 0.00 160 Q 7.99 4.11 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 161 V 7.63 3.71 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 0.80 0.00 0.00 0.88 0.00 0.00 162 L 8.17 4.00 0.00 1.75 1.51 0.81 0.46 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 0.00 163 V 7.50 3.42 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 1.06 0.00 0.00 0.88 0.00 0.00 164 S 7.85 3.99 0.00 4.00 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 0.00 165 R 7.52 3.50 0.00 1.59 1.62 0.00 2.82 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 166 I 7.20 2.90 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.02 0.69 0.00 0.00 167 A 7.97 3.90 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 0.00 168 A 7.83 3.95 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 0.00 169 W 8.29 4.39 0.00 3.07 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 0.00 170 M 8.53 4.57 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.36 0.00 171 A 8.41 4.23 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 0.00 172 T 8.40 3.83 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 1.01 0.00 0.00 173 Y 8.81 4.07 0.00 3.67 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 8.74 3.96 0.00 2.26 1.85 1.37 0.87 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 0.00 175 N 8.31 4.52 0.00 2.86 2.89 0.00 0.00 7.16 8.48 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 0.00 176 D 8.21 4.31 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.69 4.38 0.00 2.48 2.89 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.39 4.15 0.00 1.73 1.50 0.33 -0.17 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 0.00 179 E 8.48 3.96 0.00 2.13 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 2.37 2.44 0.00 180 P 0.00 4.23 0.00 2.17 2.05 0.00 3.67 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 2.16 2.11 0.00 181 W 8.04 3.89 0.00 3.20 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 0.00 182 I 8.04 3.38 1.96 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 1.12 0.64 0.70 0.00 0.00 183 Q 8.05 3.97 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 184 E 7.74 4.02 0.00 1.86 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 0.00 2.23 2.30 0.00 185 N 7.36 4.67 0.00 1.44 2.13 0.00 0.00 7.20 7.72 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 0.00 186 G 7.51 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 0.00 187 G 8.40 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 0.00 188 W 8.76 4.36 0.00 3.49 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 0.00 189 D 8.48 4.47 0.00 2.75 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 0.00 190 T 7.90 3.91 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 1.31 0.00 0.00 191 F 7.69 3.35 0.00 1.51 3.07 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 0.00 0.00 0.00 0.00 192 V 8.03 3.38 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 0.95 0.00 0.00 1.18 0.00 0.00 193 E 7.80 3.90 0.00 2.07 1.90 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 2.30 2.47 0.00 194 L 7.10 3.91 0.00 0.87 0.52 0.93 0.37 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 0.00 195 Y 7.27 4.66 0.00 2.23 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 7.63 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.