NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 115 K 4.6814 8.2993 120.1350 57.0734 33.9032 174.7206 116 Y 4.4966 9.3711 123.3142 55.2288 40.2267 173.7286 117 F 5.5828 9.5405 120.8314 56.3762 42.4216 176.1076 118 M 5.1090 9.2846 120.9517 53.9168 36.4497 174.2541 119 S 5.4357 8.7211 117.4281 56.5308 65.5687 174.0190 120 S 4.4648 9.1355 117.1529 58.4409 63.3942 174.6377 121 V 3.8773 8.4302 113.6022 62.9423 31.8418 176.4549 122 R 4.7056 7.6628 116.1204 54.1150 33.3764 174.7394 123 R 4.7961 8.0700 117.9054 56.0990 31.9486 175.5935 124 M 4.5444 8.7843 117.1667 54.1529 35.2097 172.3249 125 P 5.7118 0.0000 0.0000 61.6514 32.6995 177.6063 126 L 3.4149 8.0674 122.6280 58.0336 41.7098 178.7577 127 N 4.2209 8.0056 116.0676 56.5719 38.4889 177.1274 128 R 3.9060 7.9763 119.0073 59.1918 30.1892 178.2946 129 A 3.9943 7.7928 120.5352 54.9567 18.4600 179.7355 130 K 3.8735 8.6883 117.6518 59.9410 32.4853 179.2545 131 A 3.9433 8.0479 121.9411 54.7140 18.4871 179.1211 132 L 3.8984 8.1258 119.0750 58.8274 42.1145 178.7012 133 C 4.5002 8.2753 116.4999 59.9925 41.0981 176.3405 134 S 4.2946 8.1990 117.2861 60.7418 62.4518 176.1194 135 E 3.9873 8.4264 122.4258 58.2752 29.2933 177.7153 136 L 4.5735 7.2748 115.9964 53.8340 42.2476 176.1252 137 Q 3.7306 8.3708 116.3236 57.3077 26.9249 173.4639 138 G 4.0165 8.3269 107.5752 45.7190 0.0000 172.0192 139 T 4.5854 7.5540 113.5258 60.4396 71.7435 174.4824 140 V 4.0207 8.1988 124.6481 62.4703 32.3110 175.2828 141 A 4.2904 9.0328 129.5115 53.2315 19.3337 176.4829 142 T 4.5406 9.5795 120.0703 60.7861 70.3088 172.5572 143 P 4.4332 0.0000 0.0000 62.8443 31.7558 176.7654 144 R 4.5133 8.2952 120.6944 57.0356 31.4861 176.0216 145 N 4.8490 7.7367 113.9358 50.6293 41.2083 174.8002 146 A 3.9999 8.5914 121.8635 55.3108 18.1517 179.7270 147 E 3.9088 8.2263 116.5362 59.7364 29.6580 179.2363 148 E 4.0311 9.0791 118.9553 59.4085 29.5768 178.7190 149 N 4.2363 8.4332 117.2714 56.8830 38.9582 176.8522 150 R 3.8777 8.1050 119.6763 59.3563 30.2910 178.3708 151 A 4.0128 8.1511 120.8179 55.1857 18.3397 179.6881 152 I 3.0247 8.0563 118.7280 64.3246 36.5932 178.4956 153 Q 3.8837 8.0637 120.4135 59.0559 28.6185 177.7153 154 N 4.3179 7.8635 117.5130 56.4923 38.9941 176.7262 155 V 3.8081 7.3492 118.3330 64.3714 31.9846 176.2702 156 A 4.2866 7.6281 121.6529 51.7847 18.8478 177.2750 157 K 4.5125 8.1345 122.6784 55.8315 32.7304 175.1355 158 D 4.3872 7.6646 116.9750 53.3423 43.9510 175.2216 159 V 4.1457 8.2795 119.5742 63.1215 32.3108 174.4952 160 A 4.7886 8.1888 126.8281 50.1887 22.8127 175.4038 161 F 4.7428 8.8398 118.9472 57.6973 39.7149 174.8800 162 L 4.6468 8.6656 121.1892 52.0182 44.8864 177.1097 163 G 3.8504 8.0947 109.8992 45.1862 0.0000 173.4925 164 I 5.0814 6.6562 116.5377 58.1350 41.2940 175.4623 *174 E 4.1293 8.3305 121.4383 55.9243 30.6824 175.3338 175 D 5.2861 8.0361 119.1363 52.3635 40.2589 177.2287 176 L 4.0928 8.4028 119.4589 57.1546 41.6484 177.9832 177 T 4.5599 8.0710 108.8176 61.3160 69.6455 173.2762 178 G 3.3648 7.8761 108.1776 46.9059 0.0000 171.8910 *200 C 4.7291 7.4324 118.1971 57.1576 42.4698 173.3839 201 V 5.0164 8.0645 117.3904 61.6226 34.6164 174.8565 202 V 4.6327 8.2796 119.3062 59.3233 35.8534 174.1020 203 L 4.8506 8.5234 126.2120 53.6188 43.6706 176.5534 204 L 4.7551 8.7812 127.0629 53.6467 42.8429 177.9686 205 T 4.2634 8.5675 109.2186 63.8420 68.6597 174.8578 206 N 4.5215 8.1488 117.6538 52.8388 37.8079 175.9437 207 G 4.0031 8.4667 108.4204 45.5029 0.0000 174.1496 208 K 4.3646 8.9303 119.7818 55.7054 33.1454 175.4445 209 W 5.4923 8.3716 120.1680 55.4310 31.2776 175.4276 210 N 5.1377 8.8369 120.2334 51.4551 42.1503 173.1510 211 D 5.0128 8.7056 121.8110 53.5337 41.8182 175.6680 212 V 4.7975 8.2195 118.8167 58.3034 35.8569 174.0675 213 P 4.4490 0.0000 0.0000 63.0592 31.7188 178.1593 214 C 4.4990 8.8953 118.0238 58.7681 40.2853 175.0163 215 S 4.3117 7.9175 113.0706 58.8279 63.9351 173.9733 216 D 4.8250 8.0532 122.0221 54.1428 42.5150 175.1061 217 S 5.7173 8.1246 115.6625 56.6307 64.7550 173.7578 218 F 4.7239 8.4911 121.3728 55.6649 43.9971 173.6064 219 L 4.5682 8.3699 118.9307 55.1399 42.9153 176.7393 220 V 4.7366 8.7706 120.3427 61.1407 35.0081 174.3516 221 V 4.7852 8.3599 126.3455 61.4447 34.1304 174.6660 222 C 5.1878 9.7558 126.4335 55.3753 37.2725 172.4423 223 E 4.8641 8.6472 120.4617 54.4116 32.1919 174.8046 224 F 4.8694 8.5248 121.2702 55.5184 42.9487 175.3708 225 S 4.4094 8.7437 115.7452 58.5190 62.2734 173.6731 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 115 K 8.30 4.68 0.00 1.66 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.92 7.81 116 Y 9.37 4.50 0.00 3.07 2.93 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 0.00 117 F 9.54 5.58 0.00 3.02 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 0.00 118 M 9.28 5.11 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 119 S 8.72 5.44 0.00 3.88 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 0.00 120 S 9.14 4.46 0.00 3.89 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 0.00 121 V 8.43 3.88 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 0.75 0.00 0.00 0.95 0.00 0.00 122 R 7.66 4.71 0.00 1.77 1.82 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 123 R 8.07 4.80 0.00 1.64 1.79 0.00 3.12 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 124 M 8.78 4.54 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 125 P 0.00 5.71 0.00 2.13 2.09 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 126 L 8.07 3.41 0.00 0.50 1.25 0.37 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.01 4.22 0.00 2.77 2.83 0.00 0.00 6.78 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 0.00 128 R 7.98 3.91 0.00 1.88 1.95 0.00 3.20 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 129 A 7.79 3.99 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 0.00 130 K 8.69 3.87 0.00 1.89 1.99 0.00 1.27 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.42 7.81 131 A 8.05 3.94 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 0.00 132 L 8.13 3.90 0.00 1.85 1.93 0.96 1.29 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 0.00 133 C 8.28 4.50 0.00 2.94 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 0.00 134 S 8.20 4.29 0.00 4.06 4.14 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 0.00 0.00 0.00 0.00 135 E 8.43 3.99 0.00 2.09 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 2.33 2.41 0.00 136 L 7.27 4.57 0.00 1.93 1.60 0.92 0.87 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 0.00 137 Q 8.37 3.73 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 138 G 8.33 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 0.00 139 T 7.55 4.59 4.15 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 1.10 0.00 0.00 140 V 8.20 4.02 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 0.79 0.00 0.00 0.85 0.00 0.00 141 A 9.03 4.29 1.25 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 0.00 142 T 9.58 4.54 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 1.20 0.00 0.00 143 P 0.00 4.43 0.00 2.46 2.19 0.00 3.40 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 1.67 1.96 0.00 144 R 8.30 4.51 0.00 1.99 2.03 0.00 3.41 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 145 N 7.74 4.85 0.00 2.98 2.93 0.00 0.00 6.16 7.08 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 0.00 146 A 8.59 4.00 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 0.00 147 E 8.23 3.91 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 2.43 2.43 0.00 148 E 9.08 4.03 0.00 2.06 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 0.00 2.60 2.45 0.00 149 N 8.43 4.24 0.00 3.11 3.08 0.00 0.00 6.89 7.54 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 0.00 150 R 8.11 3.88 0.00 2.20 2.15 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 151 A 8.15 4.01 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 0.00 152 I 8.06 3.02 1.73 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.02 0.63 0.00 0.00 153 Q 8.06 3.88 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 154 N 7.86 4.32 0.00 2.85 3.03 0.00 0.00 7.19 7.49 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 0.00 155 V 7.35 3.81 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 1.01 0.00 0.00 1.10 0.00 0.00 156 A 7.63 4.29 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 0.00 157 K 8.13 4.51 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 158 D 7.66 4.39 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.15 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 1.21 0.00 0.00 0.98 0.00 0.00 160 A 8.19 4.79 1.20 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 0.00 0.00 161 F 8.84 4.74 0.00 2.94 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 0.00 162 L 8.67 4.65 0.00 1.08 1.12 -0.45 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.09 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 0.00 164 I 6.66 5.08 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.94 0.00 0.00 *174 E 8.33 4.13 0.00 2.05 1.91 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 2.30 2.31 0.00 175 D 8.04 5.29 0.00 2.90 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 0.00 176 L 8.40 4.09 0.00 1.60 1.74 0.83 0.68 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 0.00 177 T 8.07 4.56 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 1.19 0.00 0.00 178 G 7.88 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *200 C 7.43 4.73 0.00 3.12 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 0.00 201 V 8.06 5.02 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 0.88 0.00 0.00 0.97 0.00 0.00 202 V 8.28 4.63 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 -0.75 0.00 0.00 0.61 0.00 0.00 203 L 8.52 4.85 0.00 1.46 1.37 1.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 204 L 8.78 4.76 0.00 1.94 1.59 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 205 T 8.57 4.26 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 1.21 0.00 0.00 206 N 8.15 4.52 0.00 2.84 2.98 0.00 0.00 6.18 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 G 8.47 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 0.00 0.00 0.00 208 K 8.93 4.36 0.00 1.94 1.75 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.54 7.81 209 W 8.37 5.49 0.00 3.09 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 0.00 210 N 8.84 5.14 0.00 2.63 2.67 0.00 0.00 6.49 8.17 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 0.00 211 D 8.71 5.01 0.00 2.73 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 0.00 212 V 8.22 4.80 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 0.71 0.00 0.00 0.70 0.00 0.00 213 P 0.00 4.45 0.00 2.30 2.24 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 214 C 8.90 4.50 0.00 2.99 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 0.00 215 S 7.92 4.31 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.05 4.83 0.00 2.95 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 0.00 217 S 8.12 5.72 0.00 3.61 3.82 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 0.00 218 F 8.49 4.72 0.00 2.23 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 0.00 219 L 8.37 4.57 0.00 1.78 1.61 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 220 V 8.77 4.74 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 0.98 0.00 0.00 1.07 0.00 0.00 221 V 8.36 4.79 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 0.82 0.00 0.00 0.90 0.00 0.00 222 C 9.76 5.19 0.00 2.86 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 0.00 0.00 0.00 0.00 223 E 8.65 4.86 0.00 1.60 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 0.00 2.22 2.04 0.00 224 F 8.52 4.87 0.00 1.56 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 0.00 225 S 8.74 4.41 0.00 3.84 3.78 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 * Residues marked with a * may have inaccurate shift predictions.