NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.1814 8.0393 114.0572 61.8927 33.5259 175.5750 85 T 4.6262 7.8958 112.3620 59.8619 68.9230 169.5704 86 L 4.5042 8.6721 128.1376 54.6905 44.1605 177.4332 87 F 5.2018 9.3191 122.2337 55.6277 43.0869 174.4636 88 V 5.0162 8.6222 119.0290 61.0133 35.6288 174.4694 89 A 5.5770 8.4734 127.2526 50.9116 18.7356 178.4145 90 L 3.8290 8.5146 122.6530 57.2950 42.0360 176.9328 91 Y 4.8848 7.2716 114.6368 56.2203 41.9452 174.1259 92 D 4.8587 8.6491 121.1637 53.6696 40.7524 175.0376 93 Y 4.8205 7.9801 120.7313 56.1642 42.6037 173.8828 94 E 4.0783 7.7957 125.4939 53.7483 30.3275 174.7031 95 A 3.7900 7.2045 126.0063 52.5694 18.5393 177.3862 96 R 4.2788 8.7275 117.6750 56.0913 30.7008 175.2505 97 T 4.6153 7.2231 112.4901 60.4066 70.6857 173.1217 98 E 4.4167 8.6357 120.8643 56.7937 29.5883 176.9802 99 D 4.9603 7.9996 119.7352 54.5373 43.6297 176.1566 100 D 5.8119 7.4519 117.0943 52.5229 42.9353 175.2793 101 L 5.1448 8.7011 118.8603 53.1458 45.6567 175.6082 102 S 4.9386 8.4676 114.0296 57.0905 65.9908 173.5363 103 F 4.9787 7.4766 115.4906 57.2824 41.6933 172.2777 104 H 5.2779 9.0503 113.8916 53.6328 32.2895 172.8367 105 K 4.3299 8.9253 122.6537 58.1748 32.0381 176.3114 106 G 3.9930 8.3350 113.0061 45.4064 0.0000 173.6990 107 E 4.2641 8.4024 119.9318 56.0024 30.9374 176.0790 108 K 4.8806 7.8899 120.6514 55.4111 34.6320 175.8549 109 F 4.9347 8.7602 119.3764 56.4926 44.3867 173.9584 110 Q 4.8197 8.7519 121.3652 54.1441 29.8465 174.7593 111 I 4.0657 8.1216 124.6652 61.5432 36.8203 176.1614 112 L 4.3131 8.5471 127.4321 55.3235 43.4060 176.2225 113 N 4.5338 7.5571 116.5541 52.0747 39.4413 173.6027 114 S 3.1337 7.4958 119.7517 55.9533 64.1880 174.6467 115 S 3.5508 7.6496 116.4731 59.8042 61.0763 172.7152 116 E 3.7364 9.4970 116.4215 56.9051 30.5165 172.2840 117 G 4.2787 8.7380 108.5362 44.0146 0.0000 174.0131 118 D 4.7165 7.6748 129.8487 53.5549 42.9813 176.0464 119 W 4.6759 8.0383 118.2606 54.7230 31.0540 175.6980 120 W 5.0749 8.9651 125.4157 55.9828 31.1831 175.9396 121 E 5.1842 8.9922 121.0848 54.4814 30.1827 175.0614 122 A 5.2962 8.3603 126.2336 49.9449 22.9888 174.3306 123 R 4.8708 8.3540 120.3779 54.5340 32.4722 175.6351 124 S 4.5612 8.8242 123.4040 58.6983 63.2136 175.4855 125 L 4.1238 8.4858 124.9850 57.1307 42.0511 178.6739 126 T 4.1089 7.7568 115.1470 66.4340 68.9418 176.0741 127 T 4.0624 7.8473 109.7635 63.4090 69.3988 175.8105 128 G 4.0497 8.1031 109.1447 44.8011 0.0000 173.5029 129 E 4.1686 8.0938 120.1169 56.3981 30.2455 175.3912 130 T 4.8317 8.2781 118.0676 61.3783 69.4698 174.4106 131 G 4.0082 8.4176 112.3969 45.9942 0.0000 170.8254 132 Y 5.1325 8.7933 120.5009 56.4895 40.3238 175.3793 133 I 4.9016 8.5254 118.4089 58.1138 41.1741 173.6576 134 P 3.8582 0.0000 0.0000 62.3419 31.6824 177.9302 135 S 3.3994 7.8156 118.6003 60.8769 62.7681 175.6902 136 N 4.3783 7.5258 117.0582 55.0969 39.1364 174.4298 137 Y 4.6553 7.9299 114.9418 58.4955 38.3440 175.0052 138 V 5.7948 7.7720 111.7339 58.7513 35.9140 174.8058 139 A 5.0646 8.5489 122.5127 49.8018 22.8584 173.8662 140 P 3.2431 0.0000 0.0000 61.8839 32.1125 177.1220 141 V 3.6648 7.6501 122.8227 61.9364 31.3717 175.9206 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 84 V 8.04 4.18 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 0.91 0.00 0.00 0.92 0.00 0.00 85 T 7.90 4.63 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 86 L 8.67 4.50 0.00 1.55 1.60 0.98 1.03 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 87 F 9.32 5.20 0.00 3.13 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 88 V 8.62 5.02 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 1.12 0.00 0.00 0.92 0.00 0.00 89 A 8.47 5.58 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.51 3.83 0.00 0.27 0.71 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.27 4.88 0.00 2.48 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.65 4.86 0.00 2.79 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 7.98 4.82 0.00 2.97 1.77 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 94 E 7.80 4.08 0.00 1.58 1.64 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 0.00 2.05 2.12 0.00 95 A 7.20 3.79 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 96 R 8.73 4.28 0.00 1.87 1.96 0.00 3.11 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 97 T 7.22 4.62 4.13 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 0.00 0.00 0.00 1.03 0.00 0.00 98 E 8.64 4.42 0.00 1.98 1.95 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 2.29 2.31 0.00 99 D 8.00 4.96 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.45 5.81 0.00 2.79 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 0.00 101 L 8.70 5.14 0.00 1.88 1.84 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.47 4.94 0.00 3.68 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 0.00 103 F 7.48 4.98 0.00 3.52 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 0.00 104 H 9.05 5.28 0.00 3.37 3.32 0.00 5.83 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 0.00 105 K 8.93 4.33 0.00 1.78 1.84 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 106 G 8.34 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 0.00 0.00 0.00 107 E 8.40 4.26 0.00 2.25 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 2.32 2.47 0.00 108 K 7.89 4.88 0.00 1.43 1.62 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.30 7.81 109 F 8.76 4.93 0.00 3.00 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 0.00 110 Q 8.75 4.82 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 111 I 8.12 4.07 1.57 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 0.95 -0.36 0.29 0.00 0.00 112 L 8.55 4.31 0.00 1.57 1.65 0.88 0.75 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 0.00 113 N 7.56 4.53 0.00 2.68 2.63 0.00 0.00 6.93 7.16 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 0.00 114 S 7.50 3.13 0.00 2.72 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 0.00 115 S 7.65 3.55 0.00 3.97 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 0.00 116 E 9.50 3.74 0.00 2.30 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 2.29 2.38 0.00 117 G 8.74 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.67 4.72 0.00 2.67 2.24 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 0.00 119 W 8.04 4.68 0.00 3.15 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 0.00 120 W 8.97 5.07 0.00 3.21 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 0.00 121 E 8.99 5.18 0.00 1.79 1.40 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 2.49 2.42 0.00 122 A 8.36 5.30 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 0.00 123 R 8.35 4.87 0.00 1.92 1.83 0.00 3.28 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 124 S 8.82 4.56 0.00 4.20 3.84 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 0.00 0.00 0.00 125 L 8.49 4.12 0.00 1.51 1.67 0.87 0.99 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 0.00 126 T 7.76 4.11 4.21 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 1.21 0.00 0.00 127 T 7.85 4.06 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 128 G 8.10 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 0.00 0.00 0.00 129 E 8.09 4.17 0.00 2.11 1.94 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 2.43 2.33 0.00 130 T 8.28 4.83 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 1.17 0.00 0.00 131 G 8.42 4.01 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 0.00 0.00 0.00 132 Y 8.79 5.13 0.00 3.27 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 0.00 133 I 8.53 4.90 1.84 0.00 0.00 0.28 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 0.81 0.71 0.00 0.00 134 P 0.00 3.86 0.00 1.51 0.87 0.00 3.72 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 135 S 7.82 3.40 0.00 2.72 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 0.00 136 N 7.53 4.38 0.00 2.50 2.93 0.00 0.00 6.93 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.93 4.66 0.00 3.12 3.18 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 0.00 138 V 7.77 5.79 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 0.84 0.00 0.00 0.97 0.00 0.00 139 A 8.55 5.06 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 0.00 140 P 0.00 3.24 0.00 1.72 1.50 0.00 3.77 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 141 V 7.65 3.66 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 0.62 0.00 0.00 0.87 0.00 0.00