NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 S 4.4382 8.3193 115.2910 58.7274 63.4201 174.6144 46 D 4.2363 8.4376 128.6048 51.5862 39.3958 172.0056 47 G 3.9123 9.0212 113.6419 46.5161 0.0000 173.9831 48 D 4.6807 8.1592 127.5319 53.0073 39.3792 176.9506 49 Q 4.1380 8.0081 121.9879 58.0554 29.6197 177.6033 50 C 4.0050 8.0654 118.3850 58.6317 43.6520 174.9903 51 A 3.9951 7.9960 121.2269 54.5611 17.9438 178.2012 52 S 4.2952 7.2998 109.1919 57.3209 63.5391 173.6039 53 S 3.6874 8.2001 116.1302 59.8413 60.5223 171.3872 54 P 4.1929 0.0000 0.0000 65.2987 31.9042 177.1308 55 C 4.2617 7.9872 115.6188 57.3489 41.2618 172.8098 56 Q 4.1429 8.4705 129.5166 56.7707 30.6343 176.2050 57 N 4.2227 9.6540 116.7815 53.9495 36.1606 174.0434 58 G 3.8645 8.1091 103.4195 46.5077 0.0000 174.8977 59 G 3.8104 7.8569 107.8245 44.3439 0.0000 173.7857 60 S 4.5630 8.4262 114.8441 57.3741 63.6085 172.0152 61 C 5.0491 8.8390 127.7934 55.6359 45.8724 172.4146 62 K 5.0073 8.9166 126.7875 54.5266 35.5379 174.5997 63 D 4.9471 8.8361 126.3690 53.0216 40.5065 176.8176 64 Q 4.2928 7.9974 120.1766 54.8473 29.2094 172.6449 65 L 3.2776 8.7620 119.1384 55.6986 39.7276 171.9121 66 Q 3.9779 7.9085 123.0257 56.1533 28.5335 178.8405 67 S 4.5195 7.4134 114.0185 58.9534 64.0536 172.1057 68 Y 5.0925 7.3006 117.1349 56.6269 41.5019 173.9454 69 I 4.3627 8.8115 118.9777 59.7079 41.2828 172.9340 70 C 4.9774 8.7837 127.0767 55.7427 37.0386 174.7482 71 F 4.4769 9.1284 124.8896 56.7464 36.9070 174.6354 72 C 4.8142 7.5878 116.8642 55.8230 37.2312 173.8785 73 L 4.4151 7.5417 119.4656 54.1941 41.8364 176.4089 74 P 4.4206 0.0000 0.0000 64.9758 31.7265 176.7609 75 A 4.6498 8.2797 121.8978 51.8470 19.0339 175.9960 76 F 5.0399 8.0237 115.8959 57.1259 42.5737 173.7353 77 E 4.5987 9.7131 122.7813 55.0275 33.1585 174.3300 78 G 4.3125 8.8104 108.0009 44.5921 0.0000 174.8939 79 R 3.8304 8.7168 121.7186 59.0487 30.4746 177.6303 80 N 4.9411 8.1915 113.5250 53.0403 39.4098 175.4712 81 C 4.5876 7.8132 112.5759 58.8371 38.0100 173.3323 82 E 4.8219 8.0797 110.8607 56.2333 30.8602 177.1405 83 T 4.5010 8.0922 116.9395 62.8617 72.5774 172.8387 84 H 4.0618 9.0214 127.7462 55.4468 29.8975 174.8925 85 K 4.2440 8.1070 126.5829 55.2479 30.7996 175.7800 86 D 4.5123 8.5382 124.1824 55.0073 42.2321 176.8213 87 D 4.7404 8.1250 116.2685 54.1198 41.4772 175.7812 88 G 3.7248 9.6309 109.9597 44.3401 0.0000 174.4449 89 S 3.5596 8.0426 112.3675 57.3401 63.1133 171.7154 90 A 4.3385 8.2402 125.5742 52.2448 19.0100 176.8723 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 45 S 8.32 4.44 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.44 4.24 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.02 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 48 D 8.16 4.68 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.01 4.14 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 50 C 8.07 4.01 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.00 4.00 1.31 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 0.00 0.00 0.00 52 S 7.30 4.30 0.00 3.63 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.20 3.69 0.00 3.94 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 54 P 0.00 4.19 0.00 1.96 1.96 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 55 C 7.99 4.26 0.00 2.99 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 56 Q 8.47 4.14 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 57 N 9.65 4.22 0.00 2.62 2.13 0.00 0.00 6.86 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.11 3.86 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 0.00 0.00 0.00 59 G 7.86 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 0.00 0.00 0.00 60 S 8.43 4.56 0.00 4.03 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 61 C 8.84 5.05 0.00 3.04 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 62 K 8.92 5.01 0.00 2.32 1.87 0.00 1.96 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 D 8.84 4.95 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.00 4.29 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.30 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 65 L 8.76 3.28 0.00 1.74 1.67 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.91 3.98 0.00 2.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 67 S 7.41 4.52 0.00 3.82 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 68 Y 7.30 5.09 0.00 2.98 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 69 I 8.81 4.36 1.73 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 1.05 0.97 0.00 0.00 70 C 8.78 4.98 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.13 4.48 0.00 3.15 2.98 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 0.00 0.00 0.00 72 C 7.59 4.81 0.00 2.94 2.82 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 73 L 7.54 4.42 0.00 1.06 1.89 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.42 0.00 2.23 2.23 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 75 A 8.28 4.65 1.18 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 0.00 0.00 0.00 0.00 0.00 76 F 8.02 5.04 0.00 3.14 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 77 E 9.71 4.60 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 78 G 8.81 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 0.00 0.00 0.00 0.00 79 R 8.72 3.83 0.00 1.77 2.03 0.00 3.18 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 80 N 8.19 4.94 0.00 2.86 2.95 0.00 0.00 7.25 7.79 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 81 C 7.81 4.59 0.00 3.23 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.08 4.82 0.00 1.97 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 0.00 2.21 2.34 0.00 83 T 8.09 4.50 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 1.21 0.00 0.00 84 H 9.02 4.06 0.00 3.05 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.11 4.24 0.00 1.64 1.72 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 86 D 8.54 4.51 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 87 D 8.12 4.74 0.00 2.77 2.71 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 0.00 0.00 0.00 0.00 88 G 9.63 3.72 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 0.00 0.00 0.00 89 S 8.04 3.56 0.00 3.98 3.72 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 90 A 8.24 4.34 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