NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 149 S 4.3765 8.1927 115.2834 58.2502 64.6066 175.4203 150 I 3.3151 7.7506 120.2146 62.8293 37.8465 175.7678 151 L 3.9896 8.7596 122.4798 57.7092 42.8493 176.4758 152 D 4.6827 7.8607 116.1478 53.9928 40.7946 176.4702 153 I 4.2940 7.6183 121.7197 60.3391 36.4711 175.1813 154 R 4.9651 8.2309 123.7288 53.9275 33.4899 175.4016 155 Q 3.9202 8.4541 125.6810 55.7131 29.6049 176.2197 156 G 3.8844 9.5413 114.5764 45.2230 0.0000 172.7157 157 P 4.3501 0.0000 0.0000 64.9446 31.1757 177.3485 158 K 4.4573 7.8277 114.6072 55.6165 32.7401 175.1190 159 E 4.1703 7.9944 121.5538 54.7915 30.0274 174.8513 160 P 4.4157 0.0000 0.0000 62.7874 32.2940 176.9707 161 F 4.3379 9.1390 123.6665 61.6606 39.2704 177.4696 162 R 3.8452 8.1425 117.7537 59.5833 29.8733 178.1216 163 D 4.3762 8.0400 118.3654 57.3640 40.7981 178.1074 164 Y 4.2319 7.9163 119.7230 60.4886 38.8837 177.7729 165 V 3.2596 7.6750 119.5860 66.0255 31.5842 177.3371 166 D 4.4313 8.0508 118.4064 57.9446 40.7672 179.4274 167 R 3.9697 7.9869 118.0223 59.0567 30.0127 179.1322 168 F 3.7592 8.0279 120.4880 61.5539 39.3224 177.0142 169 Y 4.0313 8.0754 116.3076 60.3840 37.5729 177.9146 170 K 3.8771 8.1480 120.8957 59.9635 32.4074 178.8394 171 T 3.7696 7.7032 115.7040 66.6416 68.3455 176.5363 172 L 3.8646 7.6745 120.7310 57.8722 41.6925 179.8542 173 R 3.9247 8.3494 118.0263 59.2475 29.8079 179.0092 174 A 4.1139 8.0873 119.3607 54.2583 18.3656 178.4303 175 E 4.3414 7.6427 114.9269 55.1162 30.0005 175.8716 176 Q 3.3665 7.8654 116.0550 56.1370 27.0457 174.1546 177 A 3.9842 7.9304 120.1474 52.3804 18.9871 179.4090 178 S 4.3790 8.5497 118.1246 58.1521 65.0626 175.1817 179 Q 4.0120 8.6108 122.8388 59.3066 28.7412 178.0064 180 E 4.0462 8.2315 119.8398 59.5006 29.7319 178.9188 181 V 3.7208 8.0403 118.2425 65.7104 31.5898 177.7654 182 K 4.0608 8.5936 119.9296 59.6632 31.8313 178.3676 183 N 4.4069 8.3633 115.6012 56.2800 38.6984 177.0086 184 W 4.1786 8.3766 120.1396 60.1617 29.1366 178.4669 185 M 4.2895 8.7990 118.9577 58.8589 31.1870 178.8996 186 T 3.9317 8.0693 114.8849 66.5685 68.7926 175.7851 187 E 4.3495 7.7911 117.9777 57.8799 29.9971 176.3130 188 T 4.5033 7.7560 106.6888 62.1391 71.9137 175.5674 189 L 4.0379 8.1348 122.5136 57.1253 42.5322 178.7000 190 L 3.1889 7.9763 121.4494 57.1663 42.1865 179.0721 191 V 3.8016 7.6521 117.3814 66.2306 31.4733 177.8725 192 Q 4.1150 8.2786 116.7119 58.3759 28.8088 177.1510 193 N 4.7585 8.2290 114.9160 52.7501 39.0386 174.8513 194 A 4.0182 7.4754 121.7007 51.3956 19.1336 177.9185 195 N 4.5947 9.2150 118.5512 51.7787 39.5169 174.6038 196 P 4.1391 0.0000 0.0000 65.8465 31.3472 178.8059 197 D 4.2561 7.9245 117.0226 57.5078 40.9169 179.1437 198 C 4.1493 8.3694 118.9845 59.3828 43.4738 175.2465 199 K 3.7919 8.7381 121.9273 59.9530 31.7262 178.6378 200 T 3.8319 7.7876 115.7080 66.8279 68.3276 176.6333 201 I 3.6606 7.7377 121.4630 64.3890 37.0379 178.5590 202 L 3.9102 8.2800 120.2379 57.7294 41.1843 179.7841 203 K 3.9567 8.1999 117.7108 59.1689 31.9904 179.0089 204 A 4.1095 7.6710 120.6889 54.6746 18.3520 179.0183 205 L 4.0185 7.7629 118.4046 58.1654 42.1276 177.2688 206 G 3.9172 7.8553 104.1953 43.5368 0.0000 170.9308 207 P 4.2726 0.0000 0.0000 63.6246 31.9395 176.9887 208 G 3.8502 9.4659 109.5269 44.9532 0.0000 173.8799 209 A 4.2018 7.1339 122.0497 52.3338 19.1212 178.1268 210 T 4.3899 8.8834 112.7199 60.4983 71.6418 175.9231 211 L 4.0314 8.4147 122.5300 58.3972 41.9222 178.9146 212 E 3.9656 8.1163 117.9539 59.6146 29.5439 179.0501 213 E 4.0054 8.0713 118.1138 59.6401 29.4713 179.4257 214 M 4.0073 8.1612 118.8523 58.4671 31.7789 178.7394 215 M 4.3418 8.2187 118.2363 58.6636 32.2993 178.4202 216 T 4.0112 8.0203 115.6617 66.7417 68.4586 176.3448 217 A 3.9982 7.7981 120.8610 54.8838 18.4224 178.2973 218 C 4.6010 7.4509 112.2600 57.0514 41.0167 174.3733 219 Q 4.3039 7.6121 127.5636 56.5172 28.8418 174.9460 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 149 S 8.19 4.38 0.00 3.84 4.09 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 0.00 150 I 7.75 3.32 1.78 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.67 0.82 0.00 0.00 151 L 8.76 3.99 0.00 1.62 1.70 0.96 1.18 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 0.00 152 D 7.86 4.68 0.00 2.72 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 0.00 153 I 7.62 4.29 2.06 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 1.40 0.67 1.10 0.00 0.00 154 R 8.23 4.97 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 155 Q 8.45 3.92 0.00 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 156 G 9.54 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 0.00 157 P 0.00 4.35 0.00 2.18 2.20 0.00 3.71 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 1.99 2.00 0.00 158 K 7.83 4.46 0.00 1.74 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 159 E 7.99 4.17 0.00 1.96 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 2.39 2.32 0.00 160 P 0.00 4.42 0.00 2.27 2.03 0.00 3.79 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 161 F 9.14 4.34 0.00 3.19 3.19 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 0.00 162 R 8.14 3.85 0.00 1.98 1.97 0.00 3.25 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 163 D 8.04 4.38 0.00 2.93 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 0.00 164 Y 7.92 4.23 0.00 3.14 2.97 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 0.00 165 V 7.67 3.26 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 1.04 0.00 0.00 0.15 0.00 0.00 166 D 8.05 4.43 0.00 2.94 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 0.00 167 R 7.99 3.97 0.00 2.05 2.01 0.00 3.17 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 168 F 8.03 3.76 0.00 2.55 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 0.00 169 Y 8.08 4.03 0.00 3.18 3.01 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 0.00 170 K 8.15 3.88 0.00 1.97 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 171 T 7.70 3.77 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 1.07 0.00 0.00 172 L 7.67 3.86 0.00 1.76 1.68 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.35 3.92 0.00 2.10 1.98 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 174 A 8.09 4.11 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 175 E 7.64 4.34 0.00 2.03 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 2.23 2.42 0.00 176 Q 7.87 3.37 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 177 A 7.93 3.98 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 0.00 178 S 8.55 4.38 0.00 4.08 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 0.00 179 Q 8.61 4.01 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 180 E 8.23 4.05 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 181 V 8.04 3.72 2.23 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 1.00 0.00 0.00 0.91 0.00 0.00 182 K 8.59 4.06 0.00 2.08 2.08 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.81 1.82 7.81 183 N 8.36 4.41 0.00 2.99 2.87 0.00 0.00 7.12 8.37 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 0.00 184 W 8.38 4.18 0.00 3.59 3.35 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 0.00 185 M 8.80 4.29 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.98 0.00 186 T 8.07 3.93 4.54 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 1.31 0.00 0.00 187 E 7.79 4.35 0.00 1.90 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 2.39 2.26 0.00 188 T 7.76 4.50 4.36 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 1.40 0.00 0.00 189 L 8.13 4.04 0.00 1.96 2.08 1.02 0.52 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 0.00 190 L 7.98 3.19 0.00 0.75 1.67 -0.41 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 191 V 7.65 3.80 2.26 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 1.02 0.00 0.00 0.95 0.00 0.00 192 Q 8.28 4.11 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 193 N 8.23 4.76 0.00 3.15 3.09 0.00 0.00 6.84 6.88 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 0.00 194 A 7.48 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 0.00 195 N 9.21 4.59 0.00 2.90 3.05 0.00 0.00 7.35 7.64 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 0.00 196 P 0.00 4.14 0.00 2.16 2.13 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 197 D 7.92 4.26 0.00 2.66 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 0.00 198 C 8.37 4.15 0.00 2.99 3.22 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 0.00 199 K 8.74 3.79 0.00 2.04 1.95 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.63 7.81 200 T 7.79 3.83 4.42 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 1.19 0.00 0.00 201 I 7.74 3.66 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.88 0.00 0.00 202 L 8.28 3.91 0.00 1.71 1.67 0.87 0.82 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 0.00 203 K 8.20 3.96 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 204 A 7.67 4.11 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 0.00 205 L 7.76 4.02 0.00 1.74 1.88 0.88 1.19 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 0.00 206 G 7.86 3.92 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 0.00 0.00 0.00 207 P 0.00 4.27 0.00 2.12 2.02 0.00 3.72 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 1.95 1.93 0.00 208 G 9.47 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 0.00 209 A 7.13 4.20 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.88 4.39 4.50 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 1.20 0.00 0.00 211 L 8.41 4.03 0.00 1.79 1.70 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.12 3.97 0.00 2.09 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 2.46 0.00 213 E 8.07 4.01 0.00 2.23 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 2.32 2.34 0.00 214 M 8.16 4.01 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 215 M 8.22 4.34 0.00 2.12 2.43 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.95 0.00 216 T 8.02 4.01 4.37 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 1.20 0.00 0.00 217 A 7.80 4.00 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 0.00 218 C 7.45 4.60 0.00 2.21 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 Q 7.61 4.30 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00