NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 94 M 4.3999 8.2931 120.3519 55.7793 33.5448 174.0361 95 G 3.7970 8.4251 111.8439 44.6160 0.0000 173.0786 96 K 3.9942 9.1492 117.7891 57.4810 33.1886 173.1283 97 Y 4.8303 7.9752 117.9109 56.3907 41.7388 173.8132 98 D 4.6156 7.7241 121.7138 54.0654 44.9943 174.3270 99 K 4.5584 6.8548 115.8381 55.4763 36.1692 175.5412 100 Q 4.6430 8.3704 116.1518 55.4518 29.7245 175.3700 101 I 4.5767 7.2389 116.2667 60.1455 40.8954 173.6449 102 D 4.7131 8.4445 121.3726 53.8228 43.4724 176.8570 103 L 4.0006 8.1615 119.6990 58.0881 42.0788 178.1338 104 S 4.3585 8.1278 113.5773 61.0079 62.8227 174.6702 105 T 4.6201 8.0766 106.9030 60.3864 70.1783 174.4222 106 V 3.6851 7.7677 121.6223 61.9331 32.0888 175.0807 107 D 4.7858 8.2521 119.4540 52.1959 41.8696 176.4455 108 L 4.1178 8.5257 127.5477 57.3342 41.9231 179.2204 109 K 4.1454 7.8765 118.0009 58.8824 32.1741 178.3237 110 K 4.0643 7.9564 119.4477 58.6472 32.3012 176.9068 111 L 4.1917 7.7333 117.4656 54.8000 42.3809 176.1169 112 R 4.6271 7.9202 117.8686 53.8979 34.2245 177.2151 113 V 3.2251 8.0928 118.6981 66.4138 31.1105 178.1530 114 K 3.8521 7.8297 117.3880 59.4225 32.0212 178.9920 115 E 3.9649 7.9652 118.4168 58.9768 29.3872 179.1314 116 L 4.0224 7.8403 119.2223 57.6957 41.6355 179.3741 117 K 3.9028 8.1131 118.8131 59.3424 31.8483 179.1535 118 K 3.7935 7.7044 119.7496 59.6354 31.9674 178.8498 119 I 3.1692 7.0437 118.6157 64.0812 36.9064 178.5437 120 L 4.0081 7.4232 119.4578 57.9263 41.6775 179.1048 121 D 4.3160 8.2799 118.2707 57.2580 40.8663 177.7178 122 D 4.2777 7.8847 118.1311 56.8412 41.2777 177.7008 123 W 4.4049 7.3945 116.3905 56.9892 29.1632 177.1438 124 G 3.8190 7.9666 106.4604 45.7423 0.0000 173.2748 125 E 4.6268 8.4667 118.5999 54.4328 32.0512 175.3288 126 T 4.7429 8.3090 113.6206 59.3012 71.7530 172.9662 127 C 4.5327 8.7388 118.9030 55.6263 42.3028 173.3911 128 K 4.2776 8.5172 117.8517 55.8692 33.8622 177.2300 129 G 4.0725 7.9103 105.1730 44.7480 0.0000 172.1608 130 C 4.2973 7.9016 114.5488 55.5409 42.1312 173.6974 131 A 4.6790 8.2577 121.3267 52.2626 21.1755 175.5776 132 E 4.8111 7.8992 115.9115 53.7106 33.5674 176.0779 133 K 3.9982 9.1262 123.9240 60.0728 32.1636 179.2614 134 S 4.2093 8.1691 113.6145 61.4250 62.7945 175.7512 135 D 4.3629 8.2772 121.7929 57.1857 40.8271 177.7843 136 Y 4.0514 7.9034 117.1973 60.8920 37.7643 178.2791 137 I 3.7778 7.9180 120.3732 64.4287 37.2755 178.4451 138 R 3.9307 8.0550 118.8265 59.3087 28.6083 179.1167 139 K 4.0371 8.3076 119.3324 59.3178 32.0256 179.0178 140 I 4.0801 8.2155 120.7375 64.5495 36.9744 178.1759 141 N 4.5114 8.2944 116.3429 55.7825 37.1105 176.4475 142 E 4.0833 8.3459 121.1974 58.2183 30.0383 177.0318 143 L 4.4757 7.3781 116.5506 54.2775 44.3262 178.0366 144 M 3.5723 8.5260 119.3323 58.0387 31.8587 176.2296 145 P 4.1616 0.0000 0.0000 64.9257 31.6525 177.8713 146 K 3.6980 7.1531 119.3512 58.4398 32.1280 176.6833 147 Y 4.5912 6.9337 112.1391 57.4326 40.5817 175.5584 148 A 4.7768 7.9600 122.8356 49.6294 19.2984 174.8424 149 P 4.2157 0.0000 0.0000 64.9989 32.0637 179.0996 150 K 4.0756 8.0868 114.7589 57.9575 31.9603 176.9542 151 A 4.6516 8.1946 118.2535 52.2486 22.2336 177.4555 152 A 4.1543 8.1983 118.1299 55.2169 18.6933 178.5268 153 S 4.2300 7.3367 111.1473 58.1466 63.4137 174.3305 154 A 4.2082 8.2530 126.5697 51.7958 18.8322 177.4803 155 R 4.2360 8.1536 118.7654 56.5945 30.8870 176.3970 156 T 4.6217 7.8686 112.5891 60.5495 70.1992 173.4597 157 D 4.4688 8.7570 127.6008 56.4186 41.6945 175.6420 158 L 4.2482 7.6756 124.6799 55.3744 42.3870 175.2483 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 94 M 8.29 4.40 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 95 G 8.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.15 3.99 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 97 Y 7.98 4.83 0.00 2.89 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 98 D 7.72 4.62 0.00 2.53 2.46 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 99 K 6.85 4.56 0.00 1.54 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.23 1.31 7.81 100 Q 8.37 4.64 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 101 I 7.24 4.58 1.88 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 1.32 0.61 0.91 0.00 0.00 102 D 8.44 4.71 0.00 2.70 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 0.00 103 L 8.16 4.00 0.00 1.64 1.75 0.95 1.07 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 0.00 104 S 8.13 4.36 0.00 3.91 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 0.00 105 T 8.08 4.62 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 0.00 106 V 7.77 3.69 2.22 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 0.73 0.00 0.00 0.92 0.00 0.00 107 D 8.25 4.79 0.00 2.73 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 0.00 108 L 8.53 4.12 0.00 1.70 1.75 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.88 4.15 0.00 1.78 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 110 K 7.96 4.06 0.00 1.73 1.97 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 111 L 7.73 4.19 0.00 1.79 1.57 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.92 4.63 0.00 1.72 1.75 0.00 3.28 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 113 V 8.09 3.23 1.88 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 0.41 0.00 0.00 0.79 0.00 0.00 114 K 7.83 3.85 0.00 1.76 1.77 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 115 E 7.97 3.96 0.00 2.03 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 2.34 2.29 0.00 116 L 7.84 4.02 0.00 1.66 1.73 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.11 3.90 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.18 7.81 118 K 7.70 3.79 0.00 1.64 1.89 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.55 7.81 119 I 7.04 3.17 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 -0.03 0.00 0.00 120 L 7.42 4.01 0.00 1.84 1.94 1.17 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.28 4.32 0.00 2.80 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 0.00 122 D 7.88 4.28 0.00 2.59 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.39 4.40 0.00 3.42 2.33 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 0.00 124 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 4.63 0.00 2.13 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 2.41 2.60 0.00 126 T 8.31 4.74 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 1.25 0.00 0.00 127 C 8.74 4.53 0.00 2.97 3.04 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 0.00 128 K 8.52 4.28 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.54 7.81 129 G 7.91 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 0.00 0.00 0.00 130 C 7.90 4.30 0.00 2.54 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 0.00 131 A 8.26 4.68 1.26 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 0.00 0.00 0.00 132 E 7.90 4.81 0.00 2.01 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 2.32 2.30 0.00 133 K 9.13 4.00 0.00 1.82 1.87 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.46 7.81 134 S 8.17 4.21 0.00 4.12 4.15 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 0.00 0.00 0.00 0.00 135 D 8.28 4.36 0.00 2.79 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 0.00 136 Y 7.90 4.05 0.00 3.27 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 0.00 137 I 7.92 3.78 2.08 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 1.69 0.86 0.96 0.00 0.00 138 R 8.06 3.93 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 139 K 8.31 4.04 0.00 1.96 1.98 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 140 I 8.22 4.08 2.15 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.15 0.00 0.00 141 N 8.29 4.51 0.00 2.90 3.03 0.00 0.00 7.10 7.51 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 0.00 142 E 8.35 4.08 0.00 2.15 2.26 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 2.33 2.35 0.00 143 L 7.38 4.48 0.00 2.08 1.74 1.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 8.53 3.57 0.00 2.11 2.46 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 145 P 0.00 4.16 0.00 2.15 2.09 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 146 K 7.15 3.70 0.00 1.22 0.74 0.00 0.77 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.03 0.97 7.81 147 Y 6.93 4.59 0.00 1.43 2.29 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 0.00 148 A 7.96 4.78 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 150 K 8.09 4.08 0.00 1.80 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 151 A 8.19 4.65 1.39 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 0.00 0.00 0.00 152 A 8.20 4.15 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 0.00 153 S 7.34 4.23 0.00 3.90 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 0.00 154 A 8.25 4.21 1.24 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 0.00 155 R 8.15 4.24 0.00 1.82 1.89 0.00 3.36 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 156 T 7.87 4.62 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 1.23 0.00 0.00 157 D 8.76 4.47 0.00 2.66 2.68 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 0.00 158 L 7.68 4.25 0.00 1.60 1.43 0.92 0.83 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