NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 196 M 4.4850 8.3044 120.3267 55.5152 33.4074 174.4867 197 D 4.7794 8.2254 118.7693 52.8365 42.0202 172.8272 198 E 4.0536 8.9301 119.6741 56.8071 31.7543 174.9027 199 K 3.8667 8.7657 119.3094 57.8491 31.1593 175.8006 200 R 4.5905 8.4281 121.3753 54.9202 29.1494 176.2840 201 R 4.7849 7.5062 124.6538 56.1427 30.5973 176.5046 202 A 4.0705 8.1073 119.8789 54.5774 18.5647 179.2686 203 Q 4.0334 8.0390 116.1573 60.0183 28.8779 178.0711 204 H 4.2907 8.3602 120.7226 58.6036 29.3192 175.9286 205 N 4.1799 7.6764 117.9171 56.8101 38.9590 176.2572 206 E 4.0399 8.6989 119.0549 59.4717 29.5197 178.9928 207 V 3.5633 7.8586 119.7048 64.5717 31.4867 177.2616 208 E 4.1754 8.5383 119.4395 59.1288 29.5573 178.3230 209 R 4.0220 8.2685 116.0561 58.8344 29.1528 178.0136 210 R 3.9423 7.1154 119.5571 60.2227 30.2957 177.8208 211 R 4.1404 7.8497 117.3036 58.2142 30.2878 178.1953 212 R 3.9365 7.8878 119.0486 59.7626 29.8088 177.7425 213 D 4.9705 8.5416 116.8307 54.8048 42.0153 178.2749 214 K 4.4864 8.4773 121.9503 58.3467 32.7700 177.7888 215 I 4.8966 7.9919 116.3662 61.9933 37.8630 175.2232 216 N 4.6035 7.7982 115.6438 53.1338 41.1685 174.8400 217 N 4.4903 7.9483 115.3276 55.3727 39.7749 176.2479 218 W 4.4699 8.0062 117.0996 58.5008 28.2345 178.3936 219 I 2.8684 6.5386 122.4689 63.6498 36.4897 178.2442 220 V 3.6450 7.2027 110.5838 64.6037 31.6735 178.5669 221 Q 3.8576 7.3896 114.8586 59.2890 28.9704 179.7034 222 L 4.2447 8.0158 118.2106 57.6991 42.6439 179.8394 223 S 4.7673 7.9966 116.2266 57.5407 60.8284 175.0285 224 K 4.6794 7.7023 121.0562 57.5201 38.2448 177.3200 225 I 3.6414 7.4189 110.9543 62.7396 37.6024 176.0665 226 I 4.0680 7.1730 114.5842 60.3006 38.8321 175.1841 227 P 3.6377 0.0000 0.0000 62.9335 30.6276 174.1986 228 D 4.6011 8.5838 127.1104 54.7678 40.9652 176.8706 229 S 4.5530 8.0093 127.2882 56.3029 61.7646 177.7745 230 S 4.2610 9.5141 118.8717 59.5802 60.2005 166.7892 231 M 4.5396 8.2504 125.9600 54.0601 32.4199 173.8635 232 E 3.5309 8.2526 120.0203 56.6358 28.9327 174.0966 233 S 4.9035 8.4240 115.7473 56.6308 66.7415 172.6587 234 T 4.4253 8.6956 109.5292 60.5238 70.1420 174.7500 235 K 3.9189 8.7530 120.3935 59.2315 32.7169 175.7030 236 S 4.4694 7.3700 115.1664 58.0162 67.3547 174.4473 237 G 4.4967 8.3646 112.2231 45.1760 0.0000 173.1210 238 Q 4.0308 8.6843 122.8066 55.8311 28.9245 176.1430 239 S 5.4900 7.9728 122.3441 58.2884 65.3501 176.2547 240 K 4.1740 8.5157 129.3121 56.3753 37.7795 174.0763 241 G 3.8470 7.9156 108.5178 46.7348 0.0000 175.9461 242 G 4.4279 8.8281 113.5276 49.4583 0.0000 176.1801 243 I 3.5692 7.6828 121.1589 63.7334 37.1623 176.8929 244 L 4.2190 8.1946 121.2862 56.6903 42.2559 178.9839 245 S 4.0855 7.9423 114.3167 61.5437 63.1523 176.9562 246 K 3.7349 8.4283 118.7536 57.6227 32.4571 177.4171 247 A 4.4109 7.6980 119.5611 52.4112 19.5296 178.3345 248 S 4.5632 7.6538 117.7179 60.0256 65.1324 174.9863 249 D 4.6761 7.2359 119.9850 54.8833 41.3707 177.5876 250 Y 4.7124 7.3668 116.6560 59.7068 38.4965 177.3534 251 I 3.7040 7.7063 119.3292 64.2390 37.9983 177.3834 252 Q 4.1392 7.7626 118.0357 57.9724 28.6856 176.6967 253 E 4.5429 7.8156 117.8510 57.4748 30.4969 176.8609 254 L 4.7390 8.0622 118.0749 54.8615 42.4394 176.4773 255 R 4.4103 7.6644 119.8520 56.9401 31.8014 177.5845 256 Q 4.1112 8.1022 118.4364 58.6015 30.0710 179.9931 257 S 3.1293 8.1296 104.9626 58.3880 63.6907 174.4138 258 N 3.9662 8.6105 124.5844 56.2976 39.7860 174.9645 259 H 4.7359 8.3673 115.7704 56.6846 26.5757 175.0753 260 R 4.0871 7.7635 121.7357 56.4446 29.9386 175.9599 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 196 M 8.30 4.48 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 197 D 8.23 4.78 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.93 4.05 0.00 2.01 1.79 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 2.37 2.27 0.00 199 K 8.77 3.87 0.00 1.90 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.35 7.81 200 R 8.43 4.59 0.00 1.73 1.90 0.00 3.35 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 201 R 7.51 4.78 0.00 2.05 2.14 0.00 3.03 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 202 A 8.11 4.07 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 0.00 203 Q 8.04 4.03 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 204 H 8.36 4.29 0.00 3.26 3.65 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 N 7.68 4.18 0.00 2.78 3.06 0.00 0.00 7.22 7.07 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 0.00 206 E 8.70 4.04 0.00 2.22 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 2.29 2.50 0.00 207 V 7.86 3.56 2.13 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 1.08 0.00 0.00 0.95 0.00 0.00 208 E 8.54 4.18 0.00 1.72 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 2.22 2.31 0.00 209 R 8.27 4.02 0.00 2.06 2.17 0.00 2.85 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 210 R 7.12 3.94 0.00 1.97 2.15 0.00 3.28 0.00 0.00 3.22 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 211 R 7.85 4.14 0.00 1.92 1.94 0.00 3.46 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 212 R 7.89 3.94 0.00 2.12 1.96 0.00 3.57 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 213 D 8.54 4.97 0.00 2.66 2.67 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 0.00 214 K 8.48 4.49 0.00 2.13 1.95 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 215 I 7.99 4.90 2.18 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 1.10 0.00 0.00 216 N 7.80 4.60 0.00 2.67 2.78 0.00 0.00 6.72 6.71 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 0.00 217 N 7.95 4.49 0.00 2.99 2.80 0.00 0.00 6.98 7.95 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 0.00 218 W 8.01 4.47 0.00 3.62 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 0.00 219 I 6.54 2.87 1.50 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 0.47 1.08 0.55 0.00 0.00 220 V 7.20 3.65 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 0.65 0.00 0.00 0.89 0.00 0.00 221 Q 7.39 3.86 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 222 L 8.02 4.24 0.00 2.13 1.87 1.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 223 S 8.00 4.77 0.00 4.02 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 0.00 224 K 7.70 4.68 0.00 1.97 1.72 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 225 I 7.42 3.64 1.89 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 1.40 0.75 0.94 0.00 0.00 226 I 7.17 4.07 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 1.09 0.00 0.00 227 P 0.00 3.64 0.00 2.43 2.60 0.00 3.95 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.96 0.00 228 D 8.58 4.60 0.00 2.69 2.72 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 0.00 0.00 0.00 229 S 8.01 4.55 0.00 3.98 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 0.00 230 S 9.51 4.26 0.00 3.92 4.27 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 0.00 231 M 8.25 4.54 0.00 2.00 2.00 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 2.48 2.45 0.00 232 E 8.25 3.53 0.00 2.04 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 2.22 2.33 0.00 233 S 8.42 4.90 0.00 3.91 3.81 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 0.00 234 T 8.70 4.43 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 1.20 0.00 0.00 235 K 8.75 3.92 0.00 1.85 1.99 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.54 7.81 236 S 7.37 4.47 0.00 3.83 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 0.00 237 G 8.36 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 0.00 0.00 0.00 0.00 238 Q 8.68 4.03 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 239 S 7.97 5.49 0.00 3.90 3.80 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 0.00 240 K 8.52 4.17 0.00 1.65 1.49 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.00 1.00 7.81 241 G 7.92 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 0.00 242 G 8.83 4.43 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 0.00 0.00 0.00 243 I 7.68 3.57 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.92 0.00 0.00 244 L 8.19 4.22 0.00 1.79 1.64 0.97 1.01 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 0.00 245 S 7.94 4.09 0.00 3.83 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 0.00 246 K 8.43 3.73 0.00 1.65 1.61 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.52 7.81 247 A 7.70 4.41 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 0.00 248 S 7.65 4.56 0.00 3.95 3.81 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 0.00 249 D 7.24 4.68 0.00 2.42 2.67 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 0.00 250 Y 7.37 4.71 0.00 3.02 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 0.00 251 I 7.71 3.70 2.01 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 1.55 1.72 0.97 0.00 0.00 252 Q 7.76 4.14 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 253 E 7.82 4.54 0.00 2.19 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 2.62 2.52 0.00 254 L 8.06 4.74 0.00 1.61 1.82 0.94 0.83 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 0.00 255 R 7.66 4.41 0.00 1.87 1.96 0.00 3.32 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 256 Q 8.10 4.11 0.00 2.55 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 5.98 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 257 S 8.13 3.13 0.00 4.11 3.73 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 0.00 258 N 8.61 3.97 0.00 2.69 2.85 0.00 0.00 7.14 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 H 8.37 4.74 0.00 3.15 3.68 0.00 5.65 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 R 7.76 4.09 0.00 1.79 1.83 0.00 3.45 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00