NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 153 Q 4.2545 8.3449 119.6848 54.8747 30.9572 174.6166 154 K 4.2878 7.7924 117.2981 51.6325 33.9037 173.1011 155 P 4.5769 0.0000 0.0000 62.6727 33.3186 175.1795 156 I 5.1970 8.3449 116.8359 58.9517 41.9895 174.0077 157 V 4.6777 8.5734 121.6616 61.1828 35.0647 174.3144 158 R 4.5155 8.3356 125.8302 55.3473 31.7546 175.4697 159 V 4.7619 8.6171 124.2588 61.0537 34.4296 174.2292 160 F 4.7808 9.3740 127.8062 56.8380 40.2568 175.1734 161 L 5.1574 8.8401 122.9252 51.8111 44.7980 174.5004 162 P 4.3339 0.0000 0.0000 63.5195 32.6378 176.1145 163 N 3.9588 9.0272 116.3697 55.0229 35.3602 174.6599 164 K 3.9028 8.2752 111.8225 57.6371 30.1432 175.6502 165 Q 4.7217 7.3905 118.2187 55.0668 31.4349 174.2759 166 R 4.7814 8.0996 114.8260 56.7002 31.9151 173.3758 167 T 4.4618 8.2937 113.0902 61.3557 71.5010 171.8104 168 V 4.8280 8.2542 124.2176 61.0893 33.8513 174.9623 169 V 4.6257 8.4919 119.9857 58.6184 35.5586 173.4402 170 P 4.6553 0.0000 0.0000 62.9293 32.0547 176.5440 171 A 4.7344 8.8189 126.6794 49.7847 19.0408 175.4319 172 R 4.5732 7.9290 116.6270 53.9177 32.2764 176.4258 173 C 4.2048 7.7472 117.2376 60.8531 28.4863 174.5206 174 G 3.9243 9.0591 112.0793 45.2996 0.0000 173.1469 175 V 4.2306 7.4519 120.5838 61.1926 32.9150 175.6438 176 T 4.6861 8.2492 117.5739 61.4324 71.0042 175.6980 177 V 3.6648 8.4311 121.8780 66.0829 31.6692 178.1957 178 R 3.9954 8.4471 118.5388 59.9923 29.7441 178.3332 179 D 4.4516 8.0802 116.5472 57.0943 40.8504 178.6277 180 S 4.3328 8.1988 115.2071 60.3785 63.1804 175.3648 181 L 4.6416 7.7650 119.6231 54.3173 42.4345 178.0506 182 K 3.7125 7.7379 119.7211 59.5094 32.0418 178.0713 183 K 4.0340 7.9019 117.6280 59.6095 32.4118 178.1535 184 A 4.2710 7.9435 119.0488 54.3724 19.6443 178.7514 185 L 4.2449 7.7992 118.6619 54.4007 38.8500 177.5210 *188 R 4.1855 7.8108 119.4667 55.3746 31.8227 175.9826 189 G 3.9217 8.3647 103.8718 46.5739 0.0000 173.9886 190 L 4.8116 7.8506 118.0116 52.3559 44.6748 175.9285 191 I 4.4808 7.7305 119.7850 58.3077 41.0942 174.3784 192 P 3.4302 0.0000 0.0000 65.5317 31.0997 178.3692 193 E 3.7980 7.8832 115.8258 59.2693 29.4913 177.5284 194 C 4.7623 8.1482 111.9406 58.0548 30.8948 173.0015 195 C 5.6252 8.6080 116.1951 58.5957 32.3108 172.8089 196 A 5.0154 9.3541 121.4893 50.1423 22.2603 175.6293 197 V 4.6836 7.2580 117.7636 59.9886 35.0323 174.1246 198 Y 5.1630 9.1195 119.5604 56.3697 42.4251 174.4134 199 R 4.8137 9.1712 123.5649 55.5040 32.1144 174.6702 200 I 4.6169 7.9716 125.6768 59.8421 38.8975 174.9760 201 Q 4.0997 8.6165 128.3888 57.3907 32.3307 175.2555 *205 K 4.0546 7.8970 117.8277 54.1925 32.5060 177.2660 206 K 4.9067 8.9632 125.5492 52.7433 34.6234 174.4730 207 P 4.6565 0.0000 0.0000 62.6420 32.0221 175.6334 208 I 4.5268 7.8823 115.7411 58.5235 40.7814 175.6251 209 G 3.6868 8.3759 112.2066 45.1797 0.0000 175.0137 210 W 4.2459 8.7272 122.5277 59.3890 29.2788 177.3386 211 D 4.8348 8.0872 115.4184 54.2543 40.9160 176.6114 212 T 3.8752 7.5446 117.2643 63.7986 69.0327 172.9011 213 D 4.8667 8.8023 125.2074 54.1627 41.6632 176.7150 214 I 3.9295 8.7877 127.6812 63.3142 37.7245 177.6679 215 S 4.0417 8.3257 115.5546 61.5178 62.3669 176.4901 216 W 4.3703 7.6800 121.3158 58.5655 28.9388 176.7562 217 L 4.5739 7.8493 117.7663 54.3202 41.5378 176.2970 218 T 4.0302 7.2476 116.3630 65.6565 68.6635 174.6145 219 G 3.9577 9.0840 114.5817 45.3427 0.0000 173.2695 220 E 4.5177 8.1977 119.7662 55.6783 31.8303 174.8305 221 E 5.0887 8.6545 119.8413 55.0977 31.8980 175.6429 222 L 5.1575 9.2185 124.0418 53.5769 45.2733 175.0986 223 H 5.4196 9.5939 117.5886 54.1892 32.7376 172.6211 224 V 4.9924 9.2452 123.3632 61.2083 33.5109 174.5393 225 E 4.9563 9.2175 126.8152 54.3402 33.2804 175.4286 226 V 4.2016 8.4416 122.9907 62.5225 32.3370 175.8536 227 L 4.3163 8.7796 128.2891 54.4898 42.3119 177.1347 228 E 4.0309 8.7884 121.7974 56.8799 30.0558 178.0431 229 N 4.6702 8.4839 122.4148 52.5938 37.1164 172.6788 230 V 4.4169 7.4449 118.8124 59.3948 34.7032 173.3862 231 P 4.3392 0.0000 0.0000 63.2117 31.9744 175.7276 232 L 4.6062 8.3563 121.4586 53.5054 43.1748 177.8322 233 T 4.1002 8.4514 108.6089 63.3092 68.1648 174.3103 234 T 4.4418 7.5636 110.9937 61.7991 69.0460 174.5210 235 H 4.4453 7.7149 124.6120 56.9492 29.8270 173.2574 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 153 Q 8.34 4.25 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 154 K 7.79 4.29 0.00 1.77 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.48 7.81 155 P 0.00 4.58 0.00 2.23 2.15 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 156 I 8.34 5.20 1.91 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 1.22 0.92 0.90 0.00 0.00 157 V 8.57 4.68 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 0.99 0.00 0.00 0.98 0.00 0.00 158 R 8.34 4.52 0.00 1.82 1.62 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 159 V 8.62 4.76 2.04 0.00 0.00 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 0.99 0.00 0.00 160 F 9.37 4.78 0.00 2.76 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 0.00 161 L 8.84 5.16 0.00 1.39 1.62 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.33 0.00 2.12 2.04 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 163 N 9.03 3.96 0.00 2.91 2.97 0.00 0.00 7.00 7.61 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 0.00 164 K 8.28 3.90 0.00 1.93 1.93 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 165 Q 7.39 4.72 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 166 R 8.10 4.78 0.00 1.42 1.60 0.00 3.02 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 167 T 8.29 4.46 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 168 V 8.25 4.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.86 0.00 0.00 169 V 8.49 4.63 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 0.72 0.00 0.00 0.95 0.00 0.00 170 P 0.00 4.66 0.00 1.93 1.97 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 171 A 8.82 4.73 1.19 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 0.00 0.00 172 R 7.93 4.57 0.00 1.91 2.00 0.00 3.13 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 173 C 7.75 4.20 0.00 2.91 2.81 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 0.00 174 G 9.06 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 0.00 175 V 7.45 4.23 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 1.09 0.00 0.00 0.93 0.00 0.00 176 T 8.25 4.69 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 177 V 8.43 3.66 2.36 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 1.06 0.00 0.00 1.03 0.00 0.00 178 R 8.45 4.00 0.00 2.30 2.00 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.27 0.00 179 D 8.08 4.45 0.00 2.73 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 0.00 180 S 8.20 4.33 0.00 4.02 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 0.00 181 L 7.77 4.64 0.00 1.99 1.81 1.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 182 K 7.74 3.71 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 183 K 7.90 4.03 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 184 A 7.94 4.27 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 0.00 185 L 7.80 4.24 0.00 1.91 1.81 0.83 0.77 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 *188 R 7.81 4.19 0.00 1.94 2.00 0.00 3.52 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 189 G 8.36 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 0.00 190 L 7.85 4.81 0.00 1.75 1.57 0.97 0.58 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 0.00 191 I 7.73 4.48 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.89 0.00 0.00 192 P 0.00 3.43 0.00 1.44 0.49 0.00 3.42 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 193 E 7.88 3.80 0.00 1.86 2.01 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 2.19 2.21 0.00 194 C 8.15 4.76 0.00 3.01 3.12 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 0.00 195 C 8.61 5.63 0.00 3.19 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 0.00 196 A 9.35 5.02 1.01 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 0.00 0.00 197 V 7.26 4.68 1.15 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 -0.85 0.00 0.00 0.65 0.00 0.00 198 Y 9.12 5.16 0.00 2.74 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 0.00 199 R 9.17 4.81 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 200 I 7.97 4.62 1.85 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 1.04 0.83 1.14 0.00 0.00 201 Q 8.62 4.10 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 *205 K 7.90 4.05 0.00 1.84 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 206 K 8.96 4.91 0.00 1.63 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 207 P 0.00 4.66 0.00 1.90 1.88 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 208 I 7.88 4.53 1.78 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 0.88 0.47 0.88 0.00 0.00 209 G 8.38 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 0.00 210 W 8.73 4.25 0.00 3.44 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 0.00 211 D 8.09 4.83 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 0.00 212 T 7.54 3.88 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 1.28 0.00 0.00 213 D 8.80 4.87 0.00 2.87 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 0.00 214 I 8.79 3.93 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 1.00 0.00 0.00 215 S 8.33 4.04 0.00 3.81 4.07 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 0.00 216 W 7.68 4.37 0.00 3.28 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 0.00 217 L 7.85 4.57 0.00 1.86 1.72 0.96 0.56 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 0.00 218 T 7.25 4.03 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 1.19 0.00 0.00 219 G 9.08 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 0.00 220 E 8.20 4.52 0.00 2.13 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 2.48 0.00 221 E 8.65 5.09 0.00 2.10 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 0.00 2.46 2.43 0.00 222 L 9.22 5.16 0.00 1.57 1.59 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 223 H 9.59 5.42 0.00 3.13 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 V 9.25 4.99 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 1.01 0.00 0.00 1.09 0.00 0.00 225 E 9.22 4.96 0.00 2.19 1.92 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 2.29 2.36 0.00 226 V 8.44 4.20 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 0.85 0.00 0.00 0.99 0.00 0.00 227 L 8.78 4.32 0.00 1.61 1.64 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 228 E 8.79 4.03 0.00 1.98 1.92 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 2.36 2.28 0.00 229 N 8.48 4.67 0.00 2.68 2.76 0.00 0.00 6.78 7.71 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 0.00 230 V 7.44 4.42 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 0.92 0.00 0.00 0.95 0.00 0.00 231 P 0.00 4.34 0.00 2.11 2.04 0.00 3.73 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 2.05 2.14 0.00 232 L 8.36 4.61 0.00 1.73 1.57 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 233 T 8.45 4.10 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 1.21 0.00 0.00 234 T 7.56 4.44 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 1.15 0.00 0.00 235 H 7.71 4.45 0.00 3.09 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.