NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.4565 8.3044 118.1944 54.7807 32.5610 175.1494 102 V 3.4432 8.3393 119.4034 64.7085 31.7049 174.3069 103 I 4.3021 7.8519 120.8418 59.3536 40.0306 174.1977 104 A 4.5449 8.9163 129.3307 50.6265 20.6007 178.2146 105 T 3.8958 8.4556 115.7607 66.9624 68.4476 176.5855 106 D 4.9327 7.8577 117.4578 54.5762 39.7534 176.6935 107 D 4.5450 7.7990 119.1652 56.0034 41.5911 176.8768 108 L 4.7021 7.9770 118.9858 55.6349 43.8282 176.2797 109 E 5.2663 7.8559 114.7648 55.3405 33.2358 174.2896 110 T 4.8485 9.1482 110.4496 59.9179 73.0289 173.0884 111 T 4.2675 8.6171 118.5876 64.4231 69.3501 173.5938 112 C 4.3207 9.0778 127.8801 58.8102 31.9933 172.8657 113 P 4.3177 0.0000 0.0000 65.6057 31.6274 177.2922 114 N 4.4124 8.4025 117.0184 56.1259 38.8888 174.9877 115 C 4.5325 7.9559 109.9665 56.9855 30.6812 173.2571 116 N 4.0185 9.0259 117.5551 54.8220 37.2807 174.8753 117 G 4.0513 8.5303 105.1824 44.6822 0.0000 175.5545 118 S 4.1099 7.5308 114.0508 59.3393 63.4052 175.7895 119 G 3.9645 8.4318 107.6571 45.3023 0.0000 172.5888 120 R 5.0000 7.7840 117.3333 54.3379 33.9619 175.3751 121 E 4.6233 9.0220 120.6657 53.3530 29.4356 174.2498 122 E 4.2276 8.1320 119.2646 56.4590 30.4384 175.4649 123 P 4.7566 0.0000 0.0000 62.8904 32.0773 175.0507 124 E 4.7558 7.8984 118.1368 54.0844 32.5037 173.8231 125 P 4.5870 0.0000 0.0000 62.3157 32.3054 175.9042 126 C 4.1758 8.4518 120.9257 58.9215 31.8006 172.8883 127 P 4.3518 0.0000 0.0000 65.1706 31.2567 177.4257 128 K 4.1341 8.0521 119.7170 58.0889 32.6767 176.6283 129 C 4.6706 7.8001 110.5192 56.6451 30.5480 173.6530 130 L 3.6166 8.9388 121.0048 56.2759 40.4116 175.2477 131 G 4.5150 8.5215 104.8606 44.7460 0.0000 175.4101 132 K 4.0078 7.7005 118.4776 57.3472 32.4043 178.5227 133 G 4.0173 8.6845 106.3054 45.1003 0.0000 172.7374 134 V 5.1782 7.2873 111.0383 59.4559 35.9143 174.6071 135 I 4.7127 8.7995 115.4708 58.9620 41.0102 174.7834 136 L 4.7912 8.4470 122.8942 54.8703 42.7898 176.8912 137 T 4.3820 8.2620 112.1307 60.5564 71.1377 175.6263 138 A 3.9509 8.6804 122.4781 55.4082 18.2563 179.4213 139 Q 3.9915 8.1202 117.5542 59.3604 29.2209 178.5500 140 G 3.6576 8.1400 106.6891 47.9772 0.0000 175.6102 141 S 4.1766 8.3991 115.7659 61.3111 62.2546 176.3857 142 T 3.9421 8.1211 118.6486 66.4941 68.0792 176.7749 143 L 4.0830 8.0778 120.9346 57.5979 41.6423 179.1452 144 L 3.9563 8.0527 120.2793 58.4946 42.0496 178.3554 145 H 4.0779 8.3127 118.0853 59.2419 29.8714 176.8164 146 F 4.2460 8.1421 122.0911 61.4383 39.2239 176.9590 147 I 3.4398 8.0770 119.4975 64.3834 36.9722 178.4978 148 K 3.8319 8.2051 119.3788 59.2980 31.6504 179.1331 149 K 3.5951 7.6766 118.5867 59.8305 32.1371 177.9751 150 H 4.3468 7.4888 113.8623 57.6188 29.1208 177.0646 151 I 3.9687 7.8762 121.2216 61.5636 37.1231 178.1430 152 H 4.2241 8.4474 115.8248 55.8548 28.5122 174.6983 153 E 4.2718 8.0895 122.7458 56.3149 29.5880 175.5901 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 101 M 8.30 4.46 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 102 V 8.34 3.44 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 0.78 0.00 0.00 0.93 0.00 0.00 103 I 7.85 4.30 1.87 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 1.34 0.78 0.91 0.00 0.00 104 A 8.92 4.54 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.46 3.90 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 D 7.86 4.93 0.00 2.78 2.79 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 0.00 0.00 0.00 107 D 7.80 4.55 0.00 2.91 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 0.00 108 L 7.98 4.70 0.00 1.76 1.70 0.93 0.58 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 0.00 109 E 7.86 5.27 0.00 2.08 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 0.00 2.45 2.31 0.00 110 T 9.15 4.85 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 0.00 111 T 8.62 4.27 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 0.00 112 C 9.08 4.32 0.00 2.97 2.86 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 0.00 113 P 0.00 4.32 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 114 N 8.40 4.41 0.00 2.68 2.89 0.00 0.00 6.83 7.65 0.00 0.00 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 C 7.96 4.53 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 0.00 116 N 9.03 4.02 0.00 2.89 2.91 0.00 0.00 7.39 7.29 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 0.00 117 G 8.53 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 0.00 118 S 7.53 4.11 0.00 3.98 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 0.00 119 G 8.43 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 0.00 120 R 7.78 5.00 0.00 1.78 1.79 0.00 3.27 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 121 E 9.02 4.62 0.00 1.88 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 2.19 2.24 0.00 122 E 8.13 4.23 0.00 1.99 1.91 0.00 0.00 0.00 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 2.29 0.00 123 P 0.00 4.76 0.00 2.17 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 124 E 7.90 4.76 0.00 1.99 1.86 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 2.21 2.34 0.00 125 P 0.00 4.59 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 C 8.45 4.18 0.00 2.98 2.95 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 0.00 127 P 0.00 4.35 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 128 K 8.05 4.13 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.42 7.81 129 C 7.80 4.67 0.00 3.26 3.09 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 0.00 0.00 0.00 130 L 8.94 3.62 0.00 1.79 1.77 0.92 1.11 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 0.00 131 G 8.52 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.70 4.01 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 133 G 8.68 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.29 5.18 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 0.78 0.00 0.00 0.93 0.00 0.00 135 I 8.80 4.71 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 1.35 1.10 0.91 0.00 0.00 136 L 8.45 4.79 0.00 1.56 1.64 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.26 4.38 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 1.24 0.00 0.00 138 A 8.68 3.95 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 0.00 139 Q 8.12 3.99 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 140 G 8.14 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 0.00 0.00 0.00 141 S 8.40 4.18 0.00 3.91 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 0.00 142 T 8.12 3.94 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 143 L 8.08 4.08 0.00 1.75 1.78 0.94 0.28 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 0.00 144 L 8.05 3.96 0.00 2.01 1.71 0.94 0.83 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 0.00 145 H 8.31 4.08 0.00 3.35 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.14 4.25 0.00 3.12 3.26 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 0.00 147 I 8.08 3.44 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.75 0.88 0.00 0.00 148 K 8.21 3.83 0.00 1.77 1.78 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 149 K 7.68 3.60 0.00 1.64 1.76 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.29 7.81 150 H 7.49 4.35 0.00 2.78 3.16 0.00 5.70 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 0.00 151 I 7.88 3.97 1.92 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 1.48 0.64 0.96 0.00 0.00 152 H 8.45 4.22 0.00 3.23 3.46 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.09 4.27 0.00 1.91 1.81 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 2.24 2.35 0.00