NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 98 G 3.6770 8.3549 109.6940 44.8743 0.0000 173.6857 99 F 4.1657 7.9356 119.5339 56.0549 39.6088 174.2673 100 L 4.1280 9.2154 124.8706 55.0035 42.9989 177.0735 101 K 4.1842 8.4028 121.1730 56.8666 33.1654 178.5257 102 G 3.8504 8.5741 110.4534 44.9100 0.0000 171.8574 103 G 4.3054 8.0314 107.9096 44.3532 0.0000 173.2711 104 F 4.5248 8.7438 119.1950 57.0869 39.7674 174.9664 105 D 4.6756 9.1778 123.0965 53.5419 41.3436 175.1811 106 P 4.4671 0.0000 0.0000 65.1068 31.4865 177.2037 107 K 4.6873 7.5520 114.2231 54.0476 35.6895 175.6944 108 M 3.9874 8.4254 121.5230 55.8081 32.8369 175.4617 109 N 4.1862 7.5505 121.2578 50.3700 42.0516 175.6532 110 S 4.1558 8.3482 115.5707 61.5704 62.8683 176.8872 111 K 3.9252 7.9348 121.8006 59.5142 32.0378 178.4126 112 E 3.9018 8.4226 119.4485 58.9962 29.5662 178.4713 113 A 3.9456 7.9917 120.9643 55.1880 18.4770 179.6251 114 L 3.9509 7.7504 116.8754 58.0274 41.7471 179.6703 115 Q 3.9860 8.1363 117.8915 59.1548 28.4681 178.9346 116 I 3.7795 7.7948 119.5878 64.3023 37.2849 177.5554 117 L 4.3905 7.5292 115.6057 53.4050 42.1704 175.9506 118 N 4.1449 8.1043 116.3226 55.0760 37.6680 173.0039 119 L 4.8881 8.3286 115.4627 52.9110 45.5190 175.6746 120 T 4.7944 8.2868 108.9546 59.6351 72.0006 174.9330 121 E 4.0116 8.8464 120.8013 59.6557 29.6533 178.6403 122 N 4.4595 8.2939 115.1985 56.2880 38.6219 175.9203 123 T 4.2664 7.3891 105.3622 61.6793 69.5931 174.7641 124 L 4.1587 7.4983 125.2802 55.5448 42.8833 176.5705 125 T 4.4750 8.0969 119.5092 61.1690 73.6554 174.6435 126 K 3.8949 8.6162 125.0048 59.7418 32.1569 179.7836 127 K 3.9386 7.9355 119.1347 59.3702 32.2482 178.6280 128 K 3.9645 7.9888 119.5186 59.3246 32.1683 178.4292 129 L 3.9696 8.0474 120.7161 58.0043 42.1664 178.7470 130 K 3.9345 8.0544 119.6874 59.3354 32.0631 178.4062 131 E 3.9294 7.9379 119.0605 59.3253 29.6872 179.0286 132 V 3.6078 8.1642 112.8435 64.7116 31.5507 177.9376 133 H 4.0965 8.3589 117.9560 59.3683 29.5707 177.2141 134 R 3.8119 7.8598 120.1845 59.1128 29.8174 178.5246 135 K 3.8998 7.9808 119.3407 59.6002 32.3400 178.9234 136 I 3.6581 8.0184 120.4707 64.4906 36.8082 177.8771 137 M 3.8987 7.8378 117.9307 58.8197 32.2073 178.0243 138 L 4.1380 8.1098 118.6984 57.8309 41.6207 179.3651 139 A 4.1025 8.1493 119.6698 54.4756 18.4865 178.3957 140 N 4.7644 7.7411 113.2028 52.3529 39.1800 174.2085 141 H 4.4535 7.6139 121.8863 55.2468 30.4553 174.7224 142 P 4.6859 0.0000 0.0000 64.8021 31.3611 177.4323 143 D 4.5386 8.5774 116.8887 56.2469 40.9495 176.9536 144 K 4.4297 8.0804 117.2827 56.1048 32.3510 177.1189 145 G 3.9254 8.4789 106.1070 45.2443 0.0000 174.7032 146 G 4.2377 8.0351 108.6358 44.7981 0.0000 172.8649 147 S 4.5015 8.3957 114.4283 56.6963 63.8512 173.0931 148 P 4.2505 0.0000 0.0000 65.8235 31.2802 178.4442 149 F 4.2016 8.2179 118.8166 61.2416 39.3911 176.9852 150 L 3.7643 8.0241 117.9251 57.6710 41.4863 179.1554 151 A 3.9259 7.9791 120.6273 55.4830 18.2224 179.7510 152 T 3.7244 8.1016 114.5835 66.7950 68.4819 177.0372 153 K 3.6480 7.3761 119.9000 58.9701 31.9440 179.6676 154 I 3.7080 7.6286 120.3920 64.3595 37.0257 178.1530 155 N 4.3779 8.2352 117.3340 56.3538 38.3245 177.1051 156 E 3.9239 8.3491 119.9395 59.5503 29.6981 179.3810 157 A 4.0134 7.9702 120.5451 54.9717 18.4408 179.7049 158 K 3.9012 7.8627 117.5633 59.8240 32.3409 178.6933 159 D 4.3550 8.6726 119.5414 57.3042 40.6525 178.5018 160 F 3.9107 8.6015 121.3882 61.6079 39.1738 177.3561 161 L 4.1133 7.8096 116.4258 57.4452 41.8179 179.0630 162 E 4.0697 8.2757 118.7690 59.4033 29.2562 179.2422 163 K 3.8330 7.7804 118.0716 59.5518 32.2807 178.5142 164 R 3.7742 7.6551 118.1981 56.5854 30.3403 177.4307 165 G 3.9341 8.0229 104.8918 45.8739 0.0000 172.8195 166 I 4.5426 7.8727 122.3558 59.6308 40.2647 175.1593 167 S 4.6882 8.5515 119.7142 57.5151 63.5567 174.0531 168 K 4.0010 7.7371 128.0975 57.8627 31.8525 174.5721 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 98 G 8.35 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.17 0.00 3.14 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 0.00 100 L 9.22 4.13 0.00 1.63 1.60 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.40 4.18 0.00 1.74 1.73 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.37 7.81 102 G 8.57 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 0.00 103 G 8.03 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 0.00 104 F 8.74 4.52 0.00 3.15 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 0.00 105 D 9.18 4.68 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.06 2.15 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 107 K 7.55 4.69 0.00 1.69 1.68 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.40 7.81 108 M 8.43 3.99 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.69 0.00 109 N 7.55 4.19 0.00 2.84 2.73 0.00 0.00 6.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.35 4.16 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.93 0.00 1.81 1.91 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 112 E 8.42 3.90 0.00 2.24 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 2.35 2.35 0.00 113 A 7.99 3.95 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.75 3.95 0.00 1.92 1.94 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.14 3.99 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 116 I 7.79 3.78 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.69 0.96 0.00 0.00 117 L 7.53 4.39 0.00 1.65 1.72 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.10 4.14 0.00 2.86 2.86 0.00 0.00 6.88 7.13 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 0.00 119 L 8.33 4.89 0.00 1.60 1.55 0.95 0.77 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 0.00 120 T 8.29 4.79 4.25 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 1.22 0.00 0.00 121 E 8.85 4.01 0.00 1.99 2.07 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 2.33 2.30 0.00 122 N 8.29 4.46 0.00 2.72 2.89 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.39 4.27 4.25 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 1.22 0.00 0.00 124 L 7.50 4.16 0.00 1.84 1.63 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.10 4.48 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 126 K 8.62 3.89 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.63 7.81 127 K 7.94 3.94 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 128 K 7.99 3.96 0.00 1.91 1.80 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.57 7.81 129 L 8.05 3.97 0.00 1.90 1.88 0.95 0.28 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 0.00 130 K 8.05 3.93 0.00 2.00 1.97 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 131 E 7.94 3.93 0.00 2.08 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 0.00 2.31 2.35 0.00 132 V 8.16 3.61 2.10 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 0.76 0.00 0.00 1.02 0.00 0.00 133 H 8.36 4.10 0.00 3.22 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.86 3.81 0.00 2.18 2.12 0.00 3.20 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 1.63 1.68 0.00 135 K 7.98 3.90 0.00 1.89 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 136 I 8.02 3.66 1.85 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 1.41 0.82 0.91 0.00 0.00 137 M 7.84 3.90 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 138 L 8.11 4.14 0.00 1.93 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.15 4.10 1.34 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 0.00 0.00 0.00 140 N 7.74 4.76 0.00 2.96 2.81 0.00 0.00 6.54 8.17 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 0.00 141 H 7.61 4.45 0.00 3.37 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.69 0.00 2.08 2.11 0.00 3.34 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 1.95 2.03 0.00 143 D 8.58 4.54 0.00 2.59 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 0.00 144 K 8.08 4.43 0.00 1.87 1.80 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 145 G 8.48 3.93 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 0.00 0.00 0.00 146 G 8.04 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 0.00 0.00 0.00 0.00 147 S 8.40 4.50 0.00 3.96 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 0.00 148 P 0.00 4.25 0.00 2.24 2.11 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 149 F 8.22 4.20 0.00 2.98 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.02 3.76 0.00 1.90 1.71 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.98 3.93 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 0.00 152 T 8.10 3.72 4.14 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 1.16 0.00 0.00 153 K 7.38 3.65 0.00 1.35 1.30 0.00 0.71 0.00 0.00 1.09 0.00 0.00 2.52 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.21 7.81 154 I 7.63 3.71 1.95 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 1.52 0.96 0.91 0.00 0.00 155 N 8.24 4.38 0.00 2.85 2.86 0.00 0.00 7.06 7.27 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 0.00 156 E 8.35 3.92 0.00 2.07 1.97 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 2.30 2.40 0.00 157 A 7.97 4.01 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 0.00 158 K 7.86 3.90 0.00 1.79 1.84 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.38 1.42 7.81 159 D 8.67 4.36 0.00 2.73 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 0.00 160 F 8.60 3.91 0.00 3.24 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 0.00 161 L 7.81 4.11 0.00 1.76 1.77 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.28 4.07 0.00 2.23 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 2.31 2.41 0.00 163 K 7.78 3.83 0.00 1.81 1.70 0.00 1.72 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81 164 R 7.66 3.77 0.00 1.51 1.97 0.00 3.35 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 165 G 8.02 3.93 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 0.00 0.00 0.00 166 I 7.87 4.54 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 1.48 0.78 0.92 0.00 0.00 167 S 8.55 4.69 0.00 3.96 3.93 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 0.00 168 K 7.74 4.00 0.00 1.79 1.60 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.42 7.81