NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 149 E 3.3340 8.2876 120.1814 54.9131 30.2277 175.5449 150 P 4.0538 0.0000 0.0000 65.1058 31.3300 177.5616 151 C 3.5418 7.6005 119.4699 58.3144 45.0114 176.2014 152 R 3.4216 7.2002 119.7113 59.5289 29.5053 178.2152 153 I 3.7708 7.2994 118.9154 64.5733 36.9632 177.8350 154 E 3.9808 8.2457 119.0654 59.3145 29.7463 178.4694 155 L 3.9737 8.4194 120.4787 58.3651 42.3050 178.4628 156 Y 4.4059 7.6549 116.5649 61.1999 37.5516 178.3294 157 R 4.4515 7.8047 116.2345 56.4369 30.6590 177.1259 158 V 4.2274 7.6131 119.6256 64.3373 33.7792 178.0406 159 V 3.5004 7.8329 118.4758 65.8054 31.2207 177.0714 160 E 3.9162 8.0390 118.7413 59.7180 29.2515 178.7966 161 S 4.0951 8.0447 111.0887 61.2820 62.4280 175.5538 162 L 4.0053 7.9043 122.4240 57.9322 42.0115 178.4902 163 A 4.1098 8.3357 119.2124 52.0318 18.5144 178.9920 164 K 4.0244 8.0825 118.6324 55.6852 32.0449 178.7401 165 A 4.3613 9.5800 121.7177 51.7644 18.0075 182.1473 *174 S 4.2274 8.8874 115.7098 60.9211 63.7069 173.6485 175 K 3.8763 8.7921 123.0448 56.9772 30.2713 172.8562 176 F 5.1155 8.5611 116.9958 54.4897 41.2539 174.2380 177 Y 5.0791 8.6513 120.5077 55.8205 40.2108 173.8540 178 L 4.4118 8.2697 127.7431 52.7057 42.9184 175.0666 179 P 4.3516 0.0000 0.0000 62.0618 32.3187 176.2545 180 N 4.6512 9.8593 122.5462 52.6426 38.8693 173.3795 181 C 5.0276 8.3886 121.4746 55.2920 37.4312 173.8542 182 N 4.5482 8.8688 121.0550 51.6026 38.1508 176.1784 183 K 3.8443 8.6915 117.5575 60.2198 32.2887 178.1352 184 N 4.3273 8.1884 115.5157 54.6550 38.7932 175.7992 185 G 3.7901 8.3498 105.6445 44.8368 0.0000 172.9080 186 F 4.9242 8.3661 119.0228 55.6426 41.8026 174.2614 187 Y 4.7605 8.7739 117.3411 58.0483 38.8632 175.9187 188 H 4.3852 8.9767 120.9019 55.8467 29.5777 176.0254 189 S 4.6129 8.7760 116.2591 61.3570 63.7771 174.5012 190 R 4.2621 7.9097 121.2038 56.0983 30.3236 175.2834 191 Q 4.4970 8.4999 126.6227 54.1854 31.1147 174.4483 192 C 5.1108 8.2463 119.3804 55.1904 44.5433 173.0698 193 E 4.7904 9.3339 122.9984 55.7484 31.0140 175.5382 194 T 4.1013 8.8278 122.7617 62.5849 69.5726 174.5748 195 S 4.2554 8.9072 122.2902 58.2426 64.1356 173.3352 196 M 2.8785 7.7359 119.0137 54.9121 29.0703 175.2735 *199 E 3.9051 7.8016 123.7125 57.5237 31.6896 175.2223 200 A 3.4729 9.4232 118.8111 53.1701 15.4014 175.6628 201 G 3.6709 7.7730 112.0776 44.3412 0.0000 170.4063 202 L 4.5457 8.1889 126.1117 54.6086 43.0285 176.9231 203 C 5.5902 9.0396 120.3445 55.1136 43.3385 173.0385 204 W 5.5008 8.8129 117.7794 55.6500 32.0203 172.4837 205 C 5.2189 8.8489 118.2454 55.6519 36.3840 173.3772 206 V 4.8108 8.5710 116.6577 59.1953 35.3838 174.7766 207 Y 3.9302 8.0105 120.3860 57.5203 38.4578 175.6655 208 P 4.7813 0.0000 0.0000 64.9183 31.8811 178.8790 209 W 4.3846 7.4186 113.7227 59.1145 28.2770 176.4949 210 N 4.8397 8.3301 114.6520 51.8648 38.2051 175.8854 211 G 2.9234 8.0508 107.6497 45.1766 0.0000 174.0537 212 K 4.3052 8.9071 123.8369 54.4562 33.1923 180.8492 213 R 4.4645 8.4378 123.3965 56.0853 30.7597 176.3252 214 I 3.3039 8.0330 127.7779 60.5625 38.1073 174.0759 215 P 4.2767 0.0000 0.0000 63.9033 31.6607 176.8210 216 G 3.9280 8.9936 110.9327 45.3418 0.0000 172.9474 217 S 4.5730 7.3767 114.2910 56.1644 64.3297 172.7140 218 P 4.3786 0.0000 0.0000 62.3538 31.8214 175.6194 219 E 5.2386 8.7911 121.1878 53.6437 31.3185 174.7643 220 I 4.6688 8.2217 122.1094 59.4639 41.6254 175.9184 221 R 4.7177 8.1020 124.5041 53.5354 26.9504 178.1343 222 G 3.7542 7.3144 110.2657 45.6131 0.0000 168.3098 223 D 4.5080 8.2698 122.0154 53.0364 41.3609 175.6571 224 P 4.3057 0.0000 0.0000 63.1219 31.9618 175.2110 225 N 4.0188 8.0753 115.6215 53.7689 35.6189 172.7626 226 C 4.4761 8.2612 118.2918 56.7019 41.6218 174.1734 227 Q 4.6677 8.3096 119.3057 56.0301 28.1468 175.6113 228 I 4.2198 7.5467 119.8620 61.9194 40.1997 174.9904 *229 Y 3.3321 7.9955 122.3925 57.1118 32.9553 171.3826 *230 F 4.9561 8.0473 121.7902 54.4266 41.2395 175.4491 231 N 4.6265 8.4889 121.2091 52.9531 39.4770 174.3645 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 E 8.29 3.33 0.00 1.82 1.72 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 0.00 1.94 2.10 0.00 150 P 0.00 4.05 0.00 2.73 2.49 0.00 2.93 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 2.28 2.50 0.00 151 C 7.60 3.54 0.00 1.23 2.54 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 0.00 152 R 7.20 3.42 0.00 1.65 1.88 0.00 3.14 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.32 0.00 153 I 7.30 3.77 2.00 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 1.45 0.33 0.96 0.00 0.00 154 E 8.25 3.98 0.00 2.18 2.21 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 2.46 2.46 0.00 155 L 8.42 3.97 0.00 1.62 1.54 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.65 4.41 0.00 3.18 2.86 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 0.00 157 R 7.80 4.45 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 158 V 7.61 4.23 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 1.10 0.00 0.00 1.03 0.00 0.00 159 V 7.83 3.50 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 0.96 0.00 0.00 0.97 0.00 0.00 160 E 8.04 3.92 0.00 2.31 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 2.31 2.33 0.00 161 S 8.04 4.10 0.00 3.92 4.06 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 0.00 0.00 0.00 162 L 7.90 4.01 0.00 1.88 1.61 0.42 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.34 4.11 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 0.00 164 K 8.08 4.02 0.00 1.68 1.64 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 165 A 9.58 4.36 0.99 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 0.00 0.00 *174 S 8.89 4.23 0.00 4.50 4.12 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 0.00 175 K 8.79 3.88 0.00 2.09 1.85 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.23 7.81 176 F 8.56 5.12 0.00 3.19 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 0.00 177 Y 8.65 5.08 0.00 3.10 3.06 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 0.00 0.00 0.00 178 L 8.27 4.41 0.00 1.67 1.47 0.86 1.36 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 0.00 179 P 0.00 4.35 0.00 1.84 2.14 0.00 3.51 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 180 N 9.86 4.65 0.00 2.74 2.81 0.00 0.00 6.76 7.57 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 0.00 181 C 8.39 5.03 0.00 2.68 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 0.00 182 N 8.87 4.55 0.00 2.83 2.60 0.00 0.00 6.66 6.14 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 0.00 183 K 8.69 3.84 0.00 1.88 2.00 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.50 7.81 184 N 8.19 4.33 0.00 3.11 3.17 0.00 0.00 7.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 8.35 3.79 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 0.00 0.00 0.00 186 F 8.37 4.92 0.00 3.11 3.25 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 0.00 187 Y 8.77 4.76 0.00 3.31 2.89 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 0.00 0.00 0.00 188 H 8.98 4.39 0.00 3.17 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 8.78 4.61 0.00 3.73 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 0.00 190 R 7.91 4.26 0.00 1.73 1.75 0.00 3.12 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 191 Q 8.50 4.50 0.00 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.51 0.00 0.00 0.00 0.00 0.00 2.04 2.42 0.00 192 C 8.25 5.11 0.00 2.67 2.84 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 0.00 193 E 9.33 4.79 0.00 2.31 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 2.48 2.49 0.00 194 T 8.83 4.10 2.94 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 0.70 0.00 0.00 195 S 8.91 4.26 0.00 3.87 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 0.00 196 M 7.74 2.88 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 *199 E 7.80 3.91 0.00 1.99 1.99 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 2.18 2.23 0.00 200 A 9.42 3.47 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 0.00 201 G 7.77 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 0.00 202 L 8.19 4.55 0.00 1.89 1.80 0.97 0.88 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 0.00 203 C 9.04 5.59 0.00 3.09 2.84 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 0.00 204 W 8.81 5.50 0.00 3.22 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 0.00 205 C 8.85 5.22 0.00 2.83 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 0.00 206 V 8.57 4.81 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 1.12 0.00 0.00 0.94 0.00 0.00 207 Y 8.01 3.93 0.00 2.73 1.43 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 0.00 208 P 0.00 4.78 0.00 2.08 2.07 0.00 2.75 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 209 W 7.42 4.38 0.00 3.43 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 0.00 210 N 8.33 4.84 0.00 2.99 3.32 0.00 0.00 6.15 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 0.00 211 G 8.05 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 0.00 0.00 0.00 212 K 8.91 4.31 0.00 1.43 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.26 7.81 213 R 8.44 4.46 0.00 1.74 1.81 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 214 I 8.03 3.30 1.62 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.67 0.67 0.00 0.00 215 P 0.00 4.28 0.00 2.08 2.02 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 216 G 8.99 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 0.00 0.00 0.00 217 S 7.38 4.57 0.00 3.90 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 P 0.00 4.38 0.00 2.07 2.02 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 219 E 8.79 5.24 0.00 1.93 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 0.00 2.18 2.35 0.00 220 I 8.22 4.67 1.88 0.00 0.00 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 1.22 0.60 0.91 0.00 0.00 221 R 8.10 4.72 0.00 1.62 1.79 0.00 3.32 0.00 0.00 4.01 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.00 222 G 7.31 3.75 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 0.00 223 D 8.27 4.51 0.00 2.63 2.58 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 0.00 224 P 0.00 4.31 0.00 2.18 2.16 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 225 N 8.08 4.02 0.00 2.87 2.86 0.00 0.00 7.00 7.73 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 0.00 226 C 8.26 4.48 0.00 2.91 2.95 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 0.00 0.00 0.00 227 Q 8.31 4.67 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 228 I 7.55 4.22 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.96 0.00 0.00 *229 Y 8.00 3.33 0.00 2.50 2.21 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 0.00 *230 F 8.05 4.96 0.00 2.26 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 0.00 0.00 0.00 231 N 8.49 4.63 0.00 2.65 2.67 0.00 0.00 6.88 7.56 0.00 0.00 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.