NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 79 T 4.3288 8.1593 117.3751 63.8013 69.9194 174.2436 80 S 4.5142 8.8485 126.5051 57.8486 63.1695 173.9069 81 L 3.9589 8.0209 124.9328 58.2594 42.6286 179.9030 82 L 3.8189 7.8124 120.0741 58.2804 42.3637 178.5465 83 N 4.4532 8.0586 115.8463 55.3975 38.1249 176.5160 84 E 4.3198 7.9997 117.9044 57.7660 30.3240 178.5221 85 R 3.5674 7.4142 119.4891 59.0224 30.1154 178.6052 86 L 4.0628 7.7540 118.3591 57.9741 41.3461 179.6510 87 Q 4.6095 7.4410 117.4838 58.4816 28.6495 177.6535 88 H 4.3712 7.3659 118.1237 58.2922 30.0183 175.7799 89 Y 4.8498 7.5818 116.3341 57.0757 38.0307 175.2497 90 T 3.6059 7.9700 114.7449 65.2026 66.1301 172.4270 91 L 4.1184 8.4971 118.0915 54.2685 42.6753 177.9948 92 D 4.4955 7.8103 120.7270 53.0619 37.7222 175.0047 93 Y 3.7237 7.3812 124.3790 57.0637 39.1598 175.7825 94 V 3.4709 7.2721 122.2862 62.9091 31.5887 176.8969 95 S 4.7837 8.7006 122.5975 60.0230 63.0648 173.9748 96 D 4.6930 7.6879 121.5586 52.6336 42.1073 176.5969 97 R 3.6199 8.9207 126.4566 59.7124 29.6870 178.0040 98 A 3.9010 7.9914 119.8818 55.5239 18.3740 178.9097 99 Q 3.8721 7.6891 116.7748 57.9384 29.2337 177.4748 100 H 4.0956 7.8635 119.3262 59.6813 29.7578 176.5243 101 M 4.1004 8.1477 118.2365 56.6460 31.9379 178.0717 102 K 4.3579 7.4083 119.1555 58.8819 32.7347 178.4382 103 N 4.4353 8.2909 117.0887 56.5920 38.4686 177.2775 104 I 4.0404 7.9859 121.2053 62.7083 37.6297 176.4534 105 Y 5.3476 7.3246 114.4237 56.8785 38.2919 174.6884 106 D 4.7065 8.2556 121.8066 51.7941 41.4821 175.0477 107 P 2.0000 0.0000 0.0000 64.7305 31.3310 177.5798 108 S 4.3658 7.5955 109.7832 58.1340 63.1466 173.7541 109 S 4.4753 7.6403 116.3084 57.2405 63.2914 174.0869 110 R 3.7910 7.8981 123.2294 57.8390 30.0297 176.7138 111 W 5.0132 7.5064 118.0997 55.4798 29.8968 175.4248 112 F 4.7272 8.4863 120.1789 59.1725 39.4715 174.2422 113 S 4.4164 9.1017 121.8659 59.3178 65.9094 174.6645 114 R 4.6039 7.2831 116.8125 54.4140 33.8391 175.7417 115 S 4.7936 8.6593 114.2330 59.0215 64.1202 174.4402 116 V 4.3612 7.6228 120.0837 60.5539 33.7800 174.5119 117 R 3.5972 8.2840 127.3841 54.7991 29.8769 174.2172 118 P 4.3794 0.0000 0.0000 62.8775 31.8251 177.3598 119 E 4.1307 8.8977 122.4999 58.3931 29.6662 176.6122 120 F 5.0648 7.4738 117.0668 55.6050 39.8988 171.8999 121 P 4.5604 0.0000 0.0000 60.7666 30.4493 177.1608 122 I 3.1731 7.8078 128.0360 64.9851 37.1065 178.4720 123 E 3.9808 8.0771 118.8305 58.8857 29.4553 178.8161 124 E 3.6477 7.7995 117.4817 58.5763 29.6695 177.9228 125 F 4.2708 8.0491 116.0736 58.6346 39.0974 176.0797 126 L 3.9431 7.2634 121.8787 54.6504 41.7050 175.6761 127 P 4.7533 0.0000 0.0000 62.9557 31.3795 174.6012 128 Y 4.9066 6.8004 115.2701 55.4101 41.2127 174.3258 129 K 4.1826 8.5636 119.4008 55.8050 32.7468 177.6472 130 T 4.1803 8.1561 120.6725 62.6943 69.2176 173.6802 131 E 4.2216 8.3285 120.6660 55.9640 30.3984 177.5192 132 S 4.2729 8.5582 116.1079 58.6865 64.2040 175.4409 133 H 4.3172 8.9214 121.4812 58.8001 28.1002 177.8776 134 E 3.9298 7.6271 120.9975 59.4583 29.2656 178.6652 135 D 4.4134 7.9365 118.4130 57.4301 40.9054 178.6019 136 Q 4.0576 8.3934 118.4781 58.9844 28.7150 178.9801 137 A 4.0377 7.7582 120.8602 55.2147 18.5904 179.6740 138 K 3.9032 8.2255 117.0553 59.7181 32.0646 178.8589 139 Y 4.1928 7.9151 119.6225 60.5681 39.0135 177.1096 140 L 3.9355 8.1338 121.1445 58.0745 41.9151 178.7599 141 C 4.0493 7.8908 118.1982 62.9100 31.5603 175.2011 142 H 4.1379 7.6648 116.1033 58.2639 28.0966 178.1528 143 V 3.4518 7.5383 120.4592 65.8560 31.4684 177.8647 144 L 3.8241 7.6929 118.6717 57.8068 41.4098 179.8593 145 V 3.7267 8.1442 118.3741 66.2729 31.4919 177.9264 146 N 4.4613 7.9665 116.2505 55.9034 38.2487 177.2787 147 L 3.9332 8.4270 122.6310 58.0092 42.0299 178.3441 148 Y 4.0708 8.1115 119.5836 60.7362 38.2649 178.0819 149 I 3.4209 7.8102 120.3755 64.2082 36.7013 178.1162 150 A 3.9702 8.0424 121.5682 55.5100 18.0389 179.8499 151 I 3.7893 7.8042 116.7610 63.3575 37.2512 177.7140 152 S 4.4519 7.2295 112.9266 58.4850 63.4036 175.1635 153 S 4.3759 7.4173 116.5457 58.8873 64.0291 173.9365 154 L 4.1102 7.4200 124.8888 54.6176 42.0986 173.6423 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 79 T 8.16 4.33 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 80 S 8.85 4.51 0.00 4.04 4.04 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 0.00 0.00 0.00 0.00 81 L 8.02 3.96 0.00 1.76 1.70 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.81 3.82 0.00 1.75 1.64 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.06 4.45 0.00 2.94 2.84 0.00 0.00 6.79 7.00 0.00 0.00 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 E 8.00 4.32 0.00 2.14 2.16 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 2.41 2.31 0.00 85 R 7.41 3.57 0.00 2.00 1.86 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 86 L 7.75 4.06 0.00 1.69 1.67 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.44 4.61 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.68 2.21 0.00 88 H 7.37 4.37 0.00 2.98 3.00 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.58 4.85 0.00 2.99 2.85 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 90 T 7.97 3.61 4.36 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 1.28 0.00 0.00 91 L 8.50 4.12 0.00 1.48 1.32 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.81 4.50 0.00 2.92 2.87 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 93 Y 7.38 3.72 0.00 2.72 2.40 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 94 V 7.27 3.47 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 1.04 0.00 0.00 0.54 0.00 0.00 95 S 8.70 4.78 0.00 4.00 4.07 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 96 D 7.69 4.69 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.92 3.62 0.00 1.86 1.86 0.00 3.23 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 98 A 7.99 3.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.69 3.87 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 100 H 7.86 4.10 0.00 3.31 3.15 0.00 5.83 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 0.00 101 M 8.15 4.10 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 102 K 7.41 4.36 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 103 N 8.29 4.44 0.00 3.11 3.14 0.00 0.00 6.70 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.99 4.04 1.57 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.31 -0.14 0.00 0.00 105 Y 7.32 5.35 0.00 3.01 2.96 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 0.00 106 D 8.26 4.71 0.00 2.78 2.73 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 0.00 107 P 0.00 2.00 0.00 1.73 1.53 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 108 S 7.60 4.37 0.00 3.89 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 0.00 109 S 7.64 4.48 0.00 4.05 3.99 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 0.00 110 R 7.90 3.79 0.00 1.00 0.66 0.00 2.81 0.00 0.00 2.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.26 0.00 111 W 7.51 5.01 0.00 3.68 3.30 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 0.00 112 F 8.49 4.73 0.00 2.86 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 0.00 113 S 9.10 4.42 0.00 3.64 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 0.00 114 R 7.28 4.60 0.00 1.83 1.94 0.00 3.24 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 115 S 8.66 4.79 0.00 4.14 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 0.00 116 V 7.62 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 117 R 8.28 3.60 0.00 1.31 1.59 0.00 3.12 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.00 118 P 0.00 4.38 0.00 2.26 2.02 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 119 E 8.90 4.13 0.00 2.02 2.06 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 2.33 2.32 0.00 120 F 7.47 5.06 0.00 2.79 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 0.00 121 P 0.00 4.56 0.00 2.42 2.22 0.00 3.92 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 122 I 7.81 3.17 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.56 0.72 0.00 0.00 123 E 8.08 3.98 0.00 2.00 1.92 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 2.35 2.34 0.00 124 E 7.80 3.65 0.00 1.82 1.69 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 2.22 2.18 0.00 125 F 8.05 4.27 0.00 3.12 3.12 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 0.00 126 L 7.26 3.94 0.00 1.36 0.76 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.75 0.00 2.31 2.22 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 128 Y 6.80 4.91 0.00 3.07 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 0.00 129 K 8.56 4.18 0.00 1.79 1.81 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 130 T 8.16 4.18 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 131 E 8.33 4.22 0.00 2.06 1.96 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 2.27 2.25 0.00 132 S 8.56 4.27 0.00 4.07 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 0.00 133 H 8.92 4.32 0.00 3.19 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.63 3.93 0.00 1.92 1.96 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 2.20 2.06 0.00 135 D 7.94 4.41 0.00 2.87 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 0.00 136 Q 8.39 4.06 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 137 A 7.76 4.04 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 0.00 138 K 8.23 3.90 0.00 2.02 1.96 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 139 Y 7.92 4.19 0.00 2.99 3.10 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 0.00 140 L 8.13 3.94 0.00 1.89 1.72 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.89 4.05 0.00 3.23 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 0.00 142 H 7.66 4.14 0.00 3.21 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.54 3.45 2.06 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 0.94 0.00 0.00 0.48 0.00 0.00 144 L 7.69 3.82 0.00 1.41 1.00 0.34 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.14 3.73 2.15 0.00 0.00 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 0.00 0.00 1.09 0.00 0.00 146 N 7.97 4.46 0.00 2.83 2.84 0.00 0.00 6.71 6.59 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 0.00 147 L 8.43 3.93 0.00 1.75 1.86 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.11 4.07 0.00 3.15 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.81 3.42 2.02 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 1.52 1.24 0.88 0.00 0.00 150 A 8.04 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.80 3.79 1.79 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 1.55 0.76 0.88 0.00 0.00 152 S 7.23 4.45 0.00 3.72 3.46 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 0.00 153 S 7.42 4.38 0.00 4.02 3.94 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 0.00 154 L 7.42 4.11 0.00 1.72 2.04 0.89 0.83 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