NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 169 L 4.4168 8.1849 120.5815 54.2285 43.1794 176.3240 170 I 3.7901 8.5328 123.8467 61.1784 36.2787 174.1823 171 K 4.5644 9.0067 125.0604 55.3974 36.7324 175.5977 172 H 4.3646 9.2304 117.9917 57.1917 26.6334 174.3350 173 M 5.0038 7.5547 115.7249 53.8125 35.7399 175.0542 174 R 5.0335 8.3576 118.8344 54.6939 35.4110 173.6519 175 A 5.0253 8.7053 121.5872 50.1717 23.2370 174.4501 176 E 4.8674 8.8967 120.4508 53.8278 32.4743 175.2646 177 A 4.2919 8.6793 129.5931 52.4086 18.8875 177.9443 178 L 4.2242 9.1830 122.3618 55.8585 42.7590 176.6253 179 F 4.9774 7.9806 114.9798 55.6639 43.3640 174.0707 180 D 4.9951 8.9780 119.9608 54.7012 41.8240 176.0482 181 F 4.7914 9.0648 123.5440 56.9352 42.7253 173.2264 182 T 4.3864 7.8478 122.7988 61.4282 70.2519 174.7184 183 G 3.5470 9.2362 117.0540 44.8826 0.0000 172.8737 184 N 4.5396 9.2252 116.6690 54.2842 39.1284 175.2527 185 S 4.5473 7.3061 111.4713 57.1259 65.5682 174.9522 186 K 4.2708 8.4391 118.3470 57.7155 31.8739 178.0101 187 L 4.2266 8.0840 122.3181 56.9675 43.1020 176.0872 188 E 5.1536 8.0967 118.1488 54.8775 31.2193 175.5930 189 L 4.5585 9.2134 126.7833 54.4451 42.7838 175.8557 190 N 4.9104 8.8616 124.4010 53.0031 39.8634 174.2186 191 F 4.9634 8.4816 116.4754 56.3991 42.0788 172.6423 192 K 5.2662 9.6317 118.2711 54.0165 35.3237 176.2361 193 A 4.1745 9.2121 126.2954 54.3315 18.6285 178.2063 194 G 4.0009 8.9298 111.9561 45.1280 0.0000 173.9273 195 D 4.5046 8.0949 119.7235 54.4308 42.2012 175.4967 196 V 4.4081 8.1462 121.3684 61.4580 33.0113 174.7692 197 I 4.4128 8.4277 129.2655 59.5992 39.5140 174.7206 198 F 4.5829 8.9791 126.2512 56.2500 39.9964 175.4426 199 L 4.5761 8.5353 124.9185 55.0224 41.8376 176.9256 200 L 4.7097 8.9881 121.4060 56.2552 45.1352 176.1820 201 S 4.8358 7.7369 110.4172 57.8296 66.0159 173.6188 202 R 4.8145 8.4865 122.6642 54.6372 31.8143 175.4852 203 I 4.0717 8.4911 126.9061 63.2298 37.7564 175.2090 204 N 4.7969 7.5376 114.8649 52.0434 39.1851 174.2682 205 K 4.0040 8.8785 116.3713 59.9380 32.5820 177.1181 206 D 4.6541 8.7522 117.8240 53.7585 42.2970 175.6826 207 W 5.0547 8.0454 117.8011 54.6221 32.8805 174.6341 208 L 4.9343 8.2431 122.6091 52.7391 45.3051 174.6968 209 E 5.0766 8.8630 120.8544 55.0095 33.0070 175.1636 210 G 4.4867 9.0209 111.7607 46.3239 0.0000 171.3002 211 T 5.8618 9.1742 113.8907 59.4656 70.9980 173.7823 212 V 4.6278 8.6955 124.7881 61.4223 34.6278 173.0992 213 R 3.5709 9.8008 118.7872 57.3857 27.4964 177.7644 214 G 3.9088 8.6586 104.7464 45.2242 0.0000 173.5980 215 A 4.9444 7.8170 121.0849 50.3742 22.4875 175.5559 216 T 5.0512 8.0996 114.9447 61.9175 71.9891 174.0436 217 G 4.2075 8.5983 111.2362 46.4685 0.0000 171.8774 218 I 5.2906 8.2096 113.6543 60.0432 40.1540 174.7791 219 F 5.1502 8.5939 117.0721 55.3993 41.8274 171.5808 220 P 3.8110 0.0000 0.0000 61.5198 31.9588 177.5579 221 L 3.9635 8.4368 125.6953 58.1283 42.1040 179.0787 222 S 4.3326 7.9263 111.2952 60.2963 63.2812 174.4745 223 F 4.7737 8.4146 119.7000 57.8783 39.0609 175.0273 224 V 5.1159 7.9041 113.5796 59.5322 36.1869 174.5661 225 K 4.6870 8.7254 120.7593 55.0684 35.3594 175.5239 226 I 4.2618 8.3109 124.0583 61.2470 37.7213 175.6803 227 L 4.3848 8.5099 127.2514 53.6796 42.9709 177.3098 228 K 4.1269 8.4027 119.7512 56.8674 32.1222 177.1500 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 169 L 8.18 4.42 0.00 1.56 1.70 0.95 0.63 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 0.00 170 I 8.53 3.79 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.99 0.00 0.00 171 K 9.01 4.56 0.00 1.42 1.45 0.00 1.87 0.00 0.00 1.84 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.31 7.81 172 H 9.23 4.36 0.00 3.31 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 M 7.55 5.00 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 174 R 8.36 5.03 0.00 1.52 1.37 0.00 2.68 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.53 0.00 175 A 8.71 5.03 1.17 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 0.00 0.00 0.00 0.00 0.00 176 E 8.90 4.87 0.00 1.86 1.67 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 2.08 2.24 0.00 177 A 8.68 4.29 1.21 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 0.00 0.00 178 L 9.18 4.22 0.00 1.40 1.00 0.96 0.60 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 0.00 179 F 7.98 4.98 0.00 2.79 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 0.00 180 D 8.98 5.00 0.00 2.69 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 0.00 181 F 9.06 4.79 0.00 2.60 1.45 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 0.00 182 T 7.85 4.39 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 1.05 0.00 0.00 183 G 9.24 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.23 4.54 0.00 2.68 2.86 0.00 0.00 6.79 7.48 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 0.00 185 S 7.31 4.55 0.00 3.94 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 0.00 186 K 8.44 4.27 0.00 1.77 1.91 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.37 7.81 187 L 8.08 4.23 0.00 1.78 1.63 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.10 5.15 0.00 2.11 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 0.00 2.38 2.27 0.00 189 L 9.21 4.56 0.00 1.82 2.05 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 190 N 8.86 4.91 0.00 2.65 2.66 0.00 0.00 6.97 7.45 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 0.00 191 F 8.48 4.96 0.00 3.23 3.14 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 0.00 192 K 9.63 5.27 0.00 1.72 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.55 7.81 193 A 9.21 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.93 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 0.00 195 D 8.09 4.50 0.00 2.60 2.53 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 0.00 196 V 8.15 4.41 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 0.26 0.00 0.00 0.81 0.00 0.00 197 I 8.43 4.41 1.46 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.01 0.63 0.00 0.00 198 F 8.98 4.58 0.00 3.11 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 0.00 199 L 8.54 4.58 0.00 1.62 1.67 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 200 L 8.99 4.71 0.00 1.74 1.70 1.01 0.83 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 0.00 201 S 7.74 4.84 0.00 3.87 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 0.00 202 R 8.49 4.81 0.00 1.77 1.77 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 203 I 8.49 4.07 2.09 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 1.36 0.96 0.87 0.00 0.00 204 N 7.54 4.80 0.00 2.94 2.95 0.00 0.00 5.89 7.17 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 0.00 205 K 8.88 4.00 0.00 1.89 2.02 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.50 7.81 206 D 8.75 4.65 0.00 2.80 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.05 5.05 0.00 3.18 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 0.00 208 L 8.24 4.93 0.00 0.36 1.21 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 209 E 8.86 5.08 0.00 2.00 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 0.00 2.29 2.40 0.00 210 G 9.02 4.49 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 0.00 0.00 0.00 211 T 9.17 5.86 4.34 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 1.38 0.00 0.00 212 V 8.70 4.63 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 0.70 0.00 0.00 1.02 0.00 0.00 213 R 9.80 3.57 0.00 2.04 2.09 0.00 3.34 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 214 G 8.66 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 0.00 0.00 0.00 215 A 7.82 4.94 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 0.00 216 T 8.10 5.05 4.30 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 1.34 0.00 0.00 217 G 8.60 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 0.00 0.00 0.00 0.00 218 I 8.21 5.29 2.01 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.92 0.00 0.00 219 F 8.59 5.15 0.00 2.98 3.41 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 0.00 220 P 0.00 3.81 0.00 1.73 1.10 0.00 2.39 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 221 L 8.44 3.96 0.00 1.57 1.55 0.92 0.92 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 0.00 222 S 7.93 4.33 0.00 4.03 3.97 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 0.00 223 F 8.41 4.77 0.00 3.39 3.50 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 0.00 224 V 7.90 5.12 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 0.57 0.00 0.00 1.17 0.00 0.00 225 K 8.73 4.69 0.00 1.75 1.84 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.31 7.81 226 I 8.31 4.26 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.96 0.00 0.00 227 L 8.51 4.38 0.00 1.54 1.53 0.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 228 K 8.40 4.13 0.00 1.73 1.71 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81