NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3831 8.1933 115.4076 58.3862 65.4179 174.8052 35 S 4.1160 7.8272 116.1324 58.2319 62.4982 174.2238 36 G 3.7756 7.7057 111.0453 46.7180 0.0000 175.8092 37 R 4.0463 7.6198 116.8803 58.4014 29.8228 177.8947 38 F 4.9418 7.8056 117.5420 59.5350 39.7419 177.6609 39 G 3.7270 8.1181 107.6216 46.1450 0.0000 174.6035 40 A 4.5494 8.5506 127.1033 52.5516 18.6427 177.4925 41 R 4.2146 7.1314 117.4073 57.1318 32.1882 176.2134 42 Y 4.0124 8.1740 117.7324 57.4575 36.9491 170.2516 43 G 3.9835 7.8887 104.0796 44.6516 0.0000 174.5306 44 R 3.9907 8.5544 117.0447 59.1851 29.9761 179.3011 45 V 3.5688 7.8094 117.2460 66.3169 31.5035 177.9682 46 S 4.1188 8.0643 114.2350 61.5828 62.8026 176.1847 47 R 4.5162 7.6372 114.9289 57.0743 29.4847 177.9934 48 R 4.1450 7.8493 120.7340 59.3528 30.4659 178.3552 49 R 3.9106 8.1319 117.9985 59.2255 30.0289 179.1538 50 V 3.5739 7.9793 117.8388 65.8448 31.4269 177.8498 51 A 4.0377 7.5824 120.2850 54.8312 18.3317 179.4340 52 E 3.9346 8.5465 117.2495 59.5612 29.5085 179.8717 53 I 3.7132 8.2745 120.0799 64.5747 37.1535 178.4668 54 E 4.2008 8.6034 119.5912 58.8596 28.9725 179.4001 55 S 4.0602 8.0825 113.3510 61.4993 62.6169 175.5327 56 E 4.2778 8.2606 122.0461 59.4572 29.1573 178.3550 57 M 4.5900 8.3693 119.3397 58.0966 32.4389 177.3551 58 N 4.7327 8.3911 114.8633 53.6779 39.2013 175.0561 59 E 4.0599 7.1651 119.7170 56.3405 30.1359 175.9063 60 D 4.6111 8.3334 119.9143 54.3573 41.5378 175.9033 61 H 4.9420 8.6337 120.9146 53.7598 31.2755 174.1487 62 A 4.5010 8.6074 125.2359 51.7216 18.6793 176.7709 63 C 4.1090 8.9709 124.4043 59.7117 31.6395 172.4331 64 P 4.2412 0.0000 0.0000 65.5375 30.5977 177.0180 65 N 4.1194 7.1267 115.5567 55.0967 39.1584 178.5802 66 C 4.5273 7.6321 120.4352 57.8081 32.4568 173.5067 67 G 4.0343 8.4279 106.5198 45.6000 0.0000 173.3247 68 E 3.9611 7.9538 120.2195 56.0298 30.5481 176.9908 69 D 4.8203 8.1326 124.3309 53.5722 38.9133 176.5061 70 R 4.7546 7.5877 113.0752 55.9150 32.7342 176.5624 71 V 4.8967 7.8636 119.1149 61.9766 32.6440 174.7882 72 D 5.3946 9.5050 127.1862 52.3452 44.9505 175.3237 73 R 3.7297 8.6408 120.5966 55.9921 30.7049 176.2132 74 Q 4.3753 8.2960 122.4078 55.3138 31.0710 175.7818 75 G 3.6616 6.6007 103.3988 45.9360 0.0000 171.4086 76 T 3.6791 8.3551 117.9942 64.6344 68.2836 174.6235 77 G 4.3110 8.5123 114.4411 46.4128 0.0000 171.4115 78 I 4.5653 6.8033 120.6088 58.9210 39.6176 174.8287 79 W 5.0588 8.6869 126.5719 54.9648 33.0441 174.3447 80 Q 5.7106 9.2290 122.5492 54.9963 32.8056 172.7189 81 C 5.2962 8.9406 126.1883 58.3846 32.6016 174.5059 82 S 4.3204 9.2775 121.7546 60.7476 62.5977 174.4943 83 Y 4.4731 7.6624 122.8266 59.3335 39.0447 175.2293 84 C 4.1254 7.9508 114.9369 57.7850 30.7216 173.7361 85 D 4.5817 8.1808 119.2246 55.3750 38.4499 173.0269 86 Y 4.4873 8.0276 121.4948 57.6678 39.6269 174.1107 87 K 5.0029 8.5498 129.4282 55.0947 33.4904 175.3070 88 F 5.0201 9.1512 122.1986 55.5520 41.9642 173.4513 89 T 4.7692 8.5048 109.2777 61.3565 70.4108 175.0224 90 G 4.3076 7.6528 108.1879 47.2376 0.0000 172.8677 91 G 4.0612 8.1346 110.2753 45.2381 0.0000 174.9589 92 S 3.9923 8.4581 115.0309 60.7542 62.8346 175.2669 93 Y 5.0166 7.7949 115.1959 57.4100 40.3673 175.2640 94 K 4.5996 7.9306 118.7845 53.5285 35.5226 175.2429 95 P 2.9700 0.0000 0.0000 64.0097 31.5934 175.9207 96 E 4.6908 7.5251 118.2194 54.0435 33.3265 175.2645 97 T 4.5998 8.1742 113.6488 59.5558 72.3193 173.8376 98 P 4.3683 0.0000 0.0000 65.7642 31.7180 178.9810 99 G 3.8256 8.1015 104.3098 47.7135 0.0000 175.9635 100 G 3.7022 8.2589 108.1780 47.4193 0.0000 175.9175 101 K 4.1999 8.1181 120.4419 59.3240 32.1373 179.5602 102 T 4.2088 7.7622 116.2206 66.2504 68.0843 176.7127 103 V 3.6697 7.2072 118.7170 66.1246 31.7976 177.2661 104 R 4.0240 7.4574 117.9312 59.4696 29.3261 177.7974 105 R 3.5770 6.6791 112.1489 60.7289 30.7372 176.8766 106 S 4.2940 7.9123 118.9098 58.8811 62.9800 174.4854 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 34 S 8.19 4.38 0.00 3.95 4.16 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 0.00 0.00 0.00 0.00 35 S 7.83 4.12 0.00 4.07 4.17 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 36 G 7.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.62 4.05 0.00 1.88 1.95 0.00 2.83 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.06 0.00 38 F 7.81 4.94 0.00 3.38 3.16 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 0.00 0.00 0.00 0.00 39 G 8.12 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 0.00 0.00 0.00 40 A 8.55 4.55 1.23 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 0.00 0.00 0.00 41 R 7.13 4.21 0.00 0.67 0.66 0.00 2.92 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 42 Y 8.17 4.01 0.00 2.99 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 43 G 7.89 3.98 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 0.00 0.00 0.00 44 R 8.55 3.99 0.00 1.88 2.01 0.00 3.16 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 45 V 7.81 3.57 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 1.14 0.00 0.00 0.94 0.00 0.00 46 S 8.06 4.12 0.00 3.89 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 47 R 7.64 4.52 0.00 2.46 2.51 0.00 2.96 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.74 0.00 48 R 7.85 4.15 0.00 2.11 2.12 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 49 R 8.13 3.91 0.00 1.98 1.93 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 50 V 7.98 3.57 2.30 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 1.19 0.00 0.00 1.13 0.00 0.00 51 A 7.58 4.04 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.55 3.93 0.00 2.00 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 0.00 2.34 2.59 0.00 53 I 8.27 3.71 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.60 0.00 0.00 54 E 8.60 4.20 0.00 2.04 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 2.33 2.44 0.00 55 S 8.08 4.06 0.00 4.01 4.10 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 0.00 0.00 0.00 0.00 56 E 8.26 4.28 0.00 2.13 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 2.38 2.36 0.00 57 M 8.37 4.59 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.66 0.00 58 N 8.39 4.73 0.00 2.83 2.89 0.00 0.00 7.06 8.35 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 59 E 7.17 4.06 0.00 2.00 1.84 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 2.35 2.62 0.00 60 D 8.33 4.61 0.00 2.53 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.63 4.94 0.00 3.10 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.61 4.50 1.27 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 0.00 0.00 63 C 8.97 4.11 0.00 3.09 3.01 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 64 P 0.00 4.24 0.00 1.86 1.90 0.00 3.44 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 0.83 1.77 0.00 65 N 7.13 4.12 0.00 2.27 2.51 0.00 0.00 6.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.63 4.53 0.00 3.22 3.09 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 0.00 0.00 0.00 0.00 67 G 8.43 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.95 3.96 0.00 1.94 1.83 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 1.78 2.19 0.00 69 D 8.13 4.82 0.00 2.55 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 70 R 7.59 4.75 0.00 1.82 1.98 0.00 3.16 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 71 V 7.86 4.90 2.43 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 1.11 0.00 0.00 1.26 0.00 0.00 72 D 9.51 5.39 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 73 R 8.64 3.73 0.00 1.25 1.55 0.00 2.97 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 74 Q 8.30 4.38 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 75 G 6.60 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 3.68 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 1.04 0.00 0.00 77 G 8.51 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 78 I 6.80 4.57 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.72 0.00 0.00 79 W 8.69 5.06 0.00 1.78 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 80 Q 9.23 5.71 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 81 C 8.94 5.30 0.00 3.31 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 82 S 9.28 4.32 0.00 4.08 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 83 Y 7.66 4.47 0.00 2.90 3.01 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 84 C 7.95 4.13 0.00 3.04 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 85 D 8.18 4.58 0.00 2.93 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 86 Y 8.03 4.49 0.00 3.06 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 87 K 8.55 5.00 0.00 1.79 1.65 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.37 7.81 88 F 9.15 5.02 0.00 2.98 2.25 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 89 T 8.50 4.77 4.26 0.00 0.00 0.00 0.00 0.00 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 90 G 7.65 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 91 G 8.13 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 0.00 0.00 0.00 92 S 8.46 3.99 0.00 2.99 2.83 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 93 Y 7.79 5.02 0.00 3.18 3.02 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 0.00 0.00 0.00 0.00 94 K 7.93 4.60 0.00 1.80 1.53 0.00 1.82 0.00 0.00 2.03 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 95 P 0.00 2.97 0.00 1.79 0.62 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 96 E 7.53 4.69 0.00 1.84 1.81 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 2.21 2.24 0.00 97 T 8.17 4.60 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 98 P 0.00 4.37 0.00 2.05 2.17 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 99 G 8.10 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 0.00 0.00 0.00 100 G 8.26 3.70 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 0.00 0.00 0.00 101 K 8.12 4.20 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 102 T 7.76 4.21 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 103 V 7.21 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 104 R 7.46 4.02 0.00 2.03 1.99 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 105 R 6.68 3.58 0.00 2.07 1.88 0.00 3.17 0.00 0.00 3.28 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 106 S 7.91 4.29 0.00 3.98 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