NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 100 S 4.7380 8.3349 116.7449 58.6997 64.5106 172.7257 101 M 4.5734 8.7823 122.5310 52.5962 36.0072 172.9267 102 L 4.9944 8.5527 125.7114 53.6687 43.4749 174.8757 103 I 4.5673 8.3969 120.0643 58.9951 41.1027 174.4791 104 K 5.2471 8.5390 121.8854 54.5531 35.6108 175.8252 105 V 4.8132 8.6160 122.9674 59.9384 34.6159 174.4656 106 K 4.7967 8.9109 125.7029 55.6640 33.8838 177.0363 107 T 4.5618 8.7033 120.5686 60.7385 69.3787 174.9741 108 L 4.3627 8.4258 119.5679 55.6420 40.7845 177.6197 109 T 4.5107 7.4954 107.8196 61.0306 69.2566 175.7975 110 G 3.9593 8.1516 108.7973 46.0038 0.0000 174.5816 111 K 4.1362 7.5243 121.3550 56.3865 33.4887 174.9527 112 E 5.0073 8.7253 127.4681 54.3625 31.4769 174.8300 113 I 4.7354 8.3718 119.1752 59.1742 41.3339 173.9053 114 E 5.0640 8.7254 122.9118 55.1408 31.2544 175.3933 115 I 4.5517 9.1277 124.5871 59.5070 41.2576 174.3385 116 D 5.0406 8.6464 124.7297 53.0396 41.9660 175.3282 117 I 5.0117 8.8349 126.6758 59.5142 42.3115 174.0718 118 E 4.9786 9.1681 122.9105 53.8466 31.4591 175.4306 119 P 4.3419 0.0000 0.0000 65.8578 31.5863 177.0405 120 T 4.1649 7.7226 110.3089 63.0667 68.1040 174.4493 121 D 4.5320 8.3926 122.2309 54.4855 41.5678 176.0455 122 K 4.6459 8.3372 121.7032 55.7720 33.3770 178.1905 123 V 3.6166 8.4503 121.7150 66.4167 31.0886 178.4700 124 E 3.9881 8.1660 115.7237 59.2906 29.5848 178.8316 125 R 4.0077 8.2364 120.0989 59.2344 30.1032 178.1208 126 I 3.6782 7.7658 119.2350 64.7250 37.1331 178.0725 127 K 4.1358 8.0587 120.1570 58.8807 31.8008 179.1133 128 E 3.9685 8.1669 118.6403 59.6371 29.5317 179.6040 129 R 3.9792 7.7958 117.6874 59.1474 29.6023 179.4270 130 V 3.5484 7.5591 117.5717 65.8455 31.7140 177.4051 131 E 4.0961 8.1510 119.0609 59.5040 29.2829 178.3492 132 E 4.0654 8.3460 118.1646 58.7971 29.5959 178.3550 133 K 4.1618 7.6191 118.1614 58.6448 32.6986 177.7595 134 E 4.5455 9.3487 117.0838 55.2456 30.0705 177.6170 135 G 3.7409 8.4330 107.4416 45.5771 0.0000 174.0047 136 I 3.9975 7.0552 121.2378 59.3878 36.7408 174.0085 137 P 4.1985 0.0000 0.0000 62.4275 31.9079 176.1084 138 P 4.3314 0.0000 0.0000 65.2478 31.6327 178.4597 139 Q 4.0015 8.1499 118.9554 58.4498 29.0747 176.3472 140 Q 4.4343 7.7679 112.6250 55.7612 29.4709 175.2837 141 Q 4.1061 7.6409 119.2108 55.8945 29.4266 174.9015 142 R 4.5757 8.4975 121.6054 54.4732 33.1815 174.3356 143 L 5.0276 8.3748 124.5620 53.4260 44.0885 175.9052 144 I 4.8041 9.1633 124.2159 59.6630 40.5603 173.7142 145 Y 4.9187 8.6844 128.7200 55.9396 41.0760 175.7838 146 S 3.5294 9.1562 124.4055 59.5128 60.4842 172.0401 147 G 4.2983 8.0210 112.4008 45.8741 0.0000 173.9387 148 K 4.0273 7.5010 120.4937 55.9103 32.4554 175.9526 149 Q 4.6535 8.4995 122.6588 55.2350 29.1181 175.6245 150 M 3.4488 8.1279 124.6427 55.3447 32.9297 175.5673 151 N 4.9295 9.7218 122.2290 51.6416 40.9943 174.9823 152 D 5.0654 8.6279 126.5876 54.1827 40.0873 176.8271 153 E 4.4758 8.3523 121.0943 58.3664 32.2795 176.1566 154 K 4.3601 7.7496 117.1911 55.9752 34.0553 175.2130 155 T 4.9905 8.0503 111.5838 60.4951 70.7106 175.0422 156 A 3.9860 8.4679 127.9082 55.4233 18.8217 180.4404 157 A 3.9614 8.0644 118.9803 55.5592 18.6994 179.2725 158 D 4.0572 7.7482 114.4958 57.5672 40.8827 177.6875 159 Y 4.6929 7.8087 113.5781 57.1161 38.0876 175.2547 160 K 3.9636 8.5645 117.8589 57.3132 30.4888 175.3944 161 I 3.7616 7.8665 118.6852 60.9850 37.8213 175.5863 162 L 4.2491 8.6671 123.4784 55.6998 44.3652 177.9800 163 G 3.9496 7.9226 106.8137 46.1270 0.0000 175.5775 164 G 3.9669 8.5051 112.3812 45.5972 0.0000 173.4475 165 S 4.4991 8.1802 115.6661 58.3572 64.6540 174.6461 166 V 4.6685 8.2997 113.7549 59.7791 34.1512 175.5961 167 L 4.5761 9.2294 126.6420 54.4627 43.4148 175.7513 168 H 5.1323 8.9953 119.0536 54.0038 31.9338 173.0602 169 L 4.9749 8.6416 123.5440 53.7683 42.4754 176.2867 170 V 4.5812 8.2940 124.2646 60.2480 34.5660 174.5288 171 L 4.3105 7.9571 117.9164 54.5087 44.4143 173.3264 172 R 4.6868 8.5369 124.5144 54.3957 32.4256 174.9115 173 L 4.8623 8.1483 122.3720 53.1226 44.6744 176.9097 174 R 4.1144 8.6394 120.8423 58.6201 30.6526 177.4521 175 G 3.8629 7.9769 104.8646 46.0632 0.0000 173.3861 176 G 3.7543 8.2761 107.1459 46.4493 0.0000 173.3529 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 100 S 8.33 4.74 0.00 3.77 3.90 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 0.00 0.00 0.00 101 M 8.78 4.57 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 102 L 8.55 4.99 0.00 1.60 1.58 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.40 4.57 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.90 0.00 0.00 104 K 8.54 5.25 0.00 1.70 1.68 0.00 1.60 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 105 V 8.62 4.81 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 106 K 8.91 4.80 0.00 1.51 1.73 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.30 7.81 107 T 8.70 4.56 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 1.30 0.00 0.00 108 L 8.43 4.36 0.00 1.68 1.68 0.93 0.77 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 0.00 109 T 7.50 4.51 4.24 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 1.21 0.00 0.00 110 G 8.15 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.52 4.14 0.00 1.88 1.68 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 112 E 8.73 5.01 0.00 1.98 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 2.18 2.25 0.00 113 I 8.37 4.74 1.86 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 1.43 0.53 0.90 0.00 0.00 114 E 8.73 5.06 0.00 1.86 1.89 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 2.22 2.31 0.00 115 I 9.13 4.55 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 1.09 0.71 0.89 0.00 0.00 116 D 8.65 5.04 0.00 2.66 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 0.00 117 I 8.83 5.01 1.85 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 1.26 1.11 0.93 0.00 0.00 118 E 9.17 4.98 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 2.53 2.25 0.00 119 P 0.00 4.34 0.00 2.05 2.20 0.00 3.66 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 2.04 2.11 0.00 120 T 7.72 4.16 4.24 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 1.21 0.00 0.00 121 D 8.39 4.53 0.00 2.81 2.57 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 0.00 0.00 0.00 0.00 122 K 8.34 4.65 0.00 1.83 1.74 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.43 7.81 123 V 8.45 3.62 2.32 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 1.05 0.00 0.00 1.19 0.00 0.00 124 E 8.17 3.99 0.00 2.17 2.41 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 2.29 2.38 0.00 125 R 8.24 4.01 0.00 1.89 2.16 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 126 I 7.77 3.68 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.88 0.00 0.00 127 K 8.06 4.14 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.51 7.81 128 E 8.17 3.97 0.00 2.21 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 2.56 0.00 129 R 7.80 3.98 0.00 1.95 1.97 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 130 V 7.56 3.55 2.32 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 1.02 0.00 0.00 0.98 0.00 0.00 131 E 8.15 4.10 0.00 2.24 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 0.00 2.31 2.32 0.00 132 E 8.35 4.07 0.00 2.07 2.14 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 2.32 2.32 0.00 133 K 7.62 4.16 0.00 2.06 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.50 7.81 134 E 9.35 4.55 0.00 2.12 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 0.00 2.23 2.43 0.00 135 G 8.43 3.74 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 0.00 0.00 0.00 136 I 7.06 4.00 1.87 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 1.29 0.73 0.91 0.00 0.00 137 P 0.00 4.20 0.00 2.17 2.01 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 138 P 0.00 4.33 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 139 Q 8.15 4.00 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 140 Q 7.77 4.43 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 141 Q 7.64 4.11 0.00 2.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 142 R 8.50 4.58 0.00 1.93 1.82 0.00 3.27 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 143 L 8.37 5.03 0.00 1.54 1.52 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.16 4.80 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.28 0.93 0.00 0.00 145 Y 8.68 4.92 0.00 2.94 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 0.00 146 S 9.16 3.53 0.00 3.49 3.58 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 0.00 147 G 8.02 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 0.00 0.00 0.00 0.00 148 K 7.50 4.03 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.63 7.81 149 Q 8.50 4.65 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 M 8.13 3.45 0.00 1.40 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.51 0.00 151 N 9.72 4.93 0.00 2.87 2.85 0.00 0.00 6.85 8.66 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 0.00 152 D 8.63 5.07 0.00 2.90 2.76 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 0.00 153 E 8.35 4.48 0.00 2.01 2.01 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 2.22 2.29 0.00 154 K 7.75 4.36 0.00 1.94 1.72 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.45 7.81 155 T 8.05 4.99 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 1.25 0.00 0.00 156 A 8.47 3.99 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 0.00 157 A 8.06 3.96 1.30 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 0.00 0.00 0.00 158 D 7.75 4.06 0.00 2.45 2.27 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 0.00 159 Y 7.81 4.69 0.00 3.06 3.23 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 0.00 160 K 8.56 3.96 0.00 1.98 1.96 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 161 I 7.87 3.76 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.13 0.73 0.00 0.00 162 L 8.67 4.25 0.00 1.77 1.74 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 163 G 7.92 3.95 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 0.00 0.00 0.00 164 G 8.51 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 0.00 0.00 0.00 165 S 8.18 4.50 0.00 3.64 3.59 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 0.00 166 V 8.30 4.67 2.08 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 0.74 0.00 0.00 1.04 0.00 0.00 167 L 9.23 4.58 0.00 1.51 1.56 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 168 H 9.00 5.13 0.00 3.29 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.64 4.97 0.00 1.74 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.29 4.58 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 0.66 0.00 0.00 0.93 0.00 0.00 171 L 7.96 4.31 0.00 1.54 1.51 0.92 0.81 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 0.00 172 R 8.54 4.69 0.00 1.78 1.76 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 173 L 8.15 4.86 0.00 1.63 1.52 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.64 4.11 0.00 1.80 1.97 0.00 3.22 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 175 G 7.98 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 0.00 0.00 0.00 176 G 8.28 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