NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 90 M 4.4512 8.2931 120.3482 55.3717 33.3918 174.5091 91 G 4.0270 8.5295 111.4135 43.3593 0.0000 169.0348 92 K 4.2162 8.7216 123.8551 55.5612 35.9662 177.0801 93 S 4.7280 7.9204 115.7586 56.8327 66.4972 173.4909 94 E 4.3653 8.7473 122.6736 58.8910 28.6720 179.4716 95 E 4.0128 8.2466 117.3648 59.4238 29.9425 178.1351 96 E 4.3157 8.0948 117.5665 57.5746 30.2891 177.4467 97 L 4.1533 8.6103 120.2947 58.2205 41.9241 179.1292 98 S 3.3096 7.5403 113.4431 61.7627 62.5550 176.0352 99 D 4.2148 7.9053 121.5342 56.5232 40.8751 178.0528 100 L 3.8084 8.2225 119.5851 58.3143 42.2785 178.0237 101 F 3.9394 8.7962 122.0412 60.3573 39.0520 177.0136 102 R 3.8625 8.2233 116.0024 59.3915 28.8923 178.4017 103 M 3.8955 7.5004 118.1210 58.0683 32.1838 177.7009 104 F 4.7669 7.9179 117.8430 59.1056 40.0554 174.1942 105 D 4.2676 7.0331 116.8986 54.0735 40.0973 176.5106 106 K 3.9661 8.3960 127.7555 59.0185 32.5498 177.8140 107 N 4.2494 8.2813 115.9317 54.2978 39.3257 173.5759 108 A 3.7136 7.6157 121.0121 52.6548 15.5493 176.5407 109 D 4.7000 9.8882 114.2475 52.4489 41.7789 176.7686 110 G 4.1058 8.9705 109.1320 45.3584 0.0000 172.4690 111 Y 4.9971 8.5418 115.1693 56.1035 42.2033 174.9675 112 I 4.8738 8.3459 118.8908 60.0776 40.9747 175.8916 113 D 4.8365 8.8395 126.1826 52.9071 43.4697 177.5974 114 L 3.9693 8.4527 118.7838 58.1383 41.3349 179.2008 115 D 4.4731 8.1289 116.2489 56.7129 41.3796 177.0991 116 E 4.3572 7.8848 117.8014 57.7847 30.0820 177.8746 117 L 3.8720 7.5609 119.1620 57.7348 41.5496 179.4698 118 K 3.8504 7.4055 115.3666 59.7290 32.7565 177.8645 119 I 4.0713 7.5091 119.1219 63.1298 37.8574 177.4653 120 M 4.0797 8.2797 119.8704 58.2778 32.2973 177.4653 121 L 4.2832 7.6628 117.5832 55.3940 42.0995 178.3454 122 Q 3.9174 7.7205 120.1413 59.4611 28.7434 178.3029 123 A 4.1482 8.1647 119.3364 55.3598 18.2811 178.8128 124 T 4.2769 8.2289 113.1737 63.9044 69.0039 175.5199 125 G 4.0330 8.5650 109.8492 45.5237 0.0000 174.5403 126 E 4.1012 8.1078 119.1433 55.8606 28.1297 175.5014 127 T 4.3712 8.0454 116.4894 60.2226 68.2752 174.2149 128 I 4.6760 7.6290 120.6490 58.9569 40.6848 175.1360 129 T 4.1163 8.1164 111.3097 61.4136 69.4756 174.5372 130 E 4.0821 8.5365 120.9075 58.4611 29.8153 177.3367 131 D 4.6126 7.4344 116.5935 55.8618 41.7120 176.8325 132 D 4.6497 7.7319 117.2059 56.3831 41.1088 178.3072 133 I 3.6779 7.2848 119.4175 64.7154 37.3153 177.9540 134 E 3.4950 8.3392 118.5537 59.5068 29.0132 179.0088 135 E 4.0419 8.0584 118.2680 58.5622 29.7828 177.9944 136 L 4.4909 8.6480 119.7064 56.9743 42.1699 178.4952 137 M 3.9324 7.9470 118.0209 58.4557 31.7653 177.8908 138 K 3.6390 7.9235 118.7475 60.5376 32.0924 178.3131 139 D 4.6452 8.1315 118.2262 56.6308 41.2537 178.5098 140 G 3.8709 7.8048 105.1783 46.5068 0.0000 173.9403 141 D 4.8652 8.8424 120.9573 52.3638 41.9228 176.0687 142 K 4.2546 8.0246 119.5059 58.3087 32.7021 178.2372 143 N 4.4403 8.1746 114.5499 53.6009 39.4432 174.3812 144 N 4.1677 8.0280 115.6787 54.4181 36.3661 174.2296 145 D 4.4938 7.7460 115.0565 54.7290 42.0489 178.3081 146 G 4.1356 9.2435 106.1259 44.9980 0.0000 173.5107 147 R 4.7776 7.4398 116.6615 54.8871 34.1470 174.3235 148 I 5.2209 8.4316 123.6674 59.3605 39.1110 174.4927 149 D 4.7805 9.0907 126.9845 52.5633 43.6975 176.3001 150 Y 3.5119 8.2229 123.4441 61.0469 38.2825 178.0177 151 D 3.9682 8.4251 117.5048 57.5439 41.3854 177.9092 152 E 4.2169 8.4982 118.6543 58.4337 29.8205 178.3181 153 F 4.4861 8.0511 120.9464 61.3957 39.1892 177.3333 154 L 3.8793 7.8696 118.0796 57.8475 41.3982 178.6237 155 E 4.1242 7.6920 117.3656 59.1239 29.3760 178.3995 156 F 4.4467 7.8824 119.1762 60.9319 39.9321 176.8632 157 M 3.8055 7.7543 117.6917 57.5006 31.8918 178.2793 158 K 3.6112 9.0939 116.8953 57.0194 31.8941 173.7235 159 G 3.5437 7.6437 102.4254 45.2745 0.0000 172.8617 160 V 4.3587 6.6597 119.0303 59.9881 34.9859 176.4025 161 E 4.4535 8.2826 119.2690 57.0789 29.4731 175.2815 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 90 M 8.29 4.45 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 91 G 8.53 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 4.22 0.00 1.75 1.65 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 93 S 7.92 4.73 0.00 3.90 3.98 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 94 E 8.75 4.37 0.00 2.18 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 2.45 2.46 0.00 95 E 8.25 4.01 0.00 1.95 2.05 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 2.34 2.47 0.00 96 E 8.09 4.32 0.00 2.06 2.02 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 2.44 2.39 0.00 97 L 8.61 4.15 0.00 1.94 2.08 1.24 1.10 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 98 S 7.54 3.31 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.21 0.00 2.68 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 0.00 100 L 8.22 3.81 0.00 1.66 2.11 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.80 3.94 0.00 2.76 2.88 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 0.00 0.00 0.00 0.00 102 R 8.22 3.86 0.00 2.01 2.14 0.00 2.74 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.55 0.00 103 M 7.50 3.90 0.00 1.68 2.03 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 104 F 7.92 4.77 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.03 4.27 0.00 2.38 2.38 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 0.00 106 K 8.40 3.97 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 107 N 8.28 4.25 0.00 2.79 3.07 0.00 0.00 7.14 7.97 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 0.00 108 A 7.62 3.71 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 0.00 109 D 9.89 4.70 0.00 2.75 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 0.00 110 G 8.97 4.11 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 0.00 0.00 0.00 111 Y 8.54 5.00 0.00 2.79 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 4.87 1.88 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.27 0.86 0.00 0.00 113 D 8.84 4.84 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.97 0.00 1.73 1.71 0.92 0.87 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 0.00 115 D 8.13 4.47 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.36 0.00 2.14 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 2.32 2.37 0.00 117 L 7.56 3.87 0.00 1.84 1.63 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.41 3.85 0.00 1.91 1.96 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.43 7.81 119 I 7.51 4.07 2.02 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 1.30 0.95 0.92 0.00 0.00 120 M 8.28 4.08 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 121 L 7.66 4.28 0.00 1.63 1.68 0.93 0.70 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 0.00 122 Q 7.72 3.92 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 123 A 8.16 4.15 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 0.00 124 T 8.23 4.28 4.42 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 1.23 0.00 0.00 125 G 8.56 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.10 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 127 T 8.05 4.37 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 0.00 128 I 7.63 4.68 1.88 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 1.48 0.73 0.92 0.00 0.00 129 T 8.12 4.12 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 0.00 130 E 8.54 4.08 0.00 2.03 1.98 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 2.37 2.29 0.00 131 D 7.43 4.61 0.00 2.77 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 0.00 132 D 7.73 4.65 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 3.68 2.01 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 1.71 1.18 0.90 0.00 0.00 134 E 8.34 3.49 0.00 2.01 2.04 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 2.41 2.40 0.00 135 E 8.06 4.04 0.00 2.00 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 0.00 2.34 2.51 0.00 136 L 8.65 4.49 0.00 1.87 1.72 1.02 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.95 3.93 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 138 K 7.92 3.64 0.00 2.13 2.12 0.00 1.36 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.62 7.81 139 D 8.13 4.65 0.00 2.96 3.06 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 0.00 0.00 0.00 140 G 7.80 3.87 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 0.00 0.00 0.00 141 D 8.84 4.87 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.25 0.00 1.77 1.90 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.40 7.81 143 N 8.17 4.44 0.00 3.06 2.88 0.00 0.00 7.38 8.02 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 0.00 144 N 8.03 4.17 0.00 2.79 2.84 0.00 0.00 6.97 7.69 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 0.00 145 D 7.75 4.49 0.00 2.69 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 0.00 146 G 9.24 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 0.00 0.00 0.00 0.00 147 R 7.44 4.78 0.00 1.65 1.85 0.00 3.08 0.00 0.00 2.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 148 I 8.43 5.22 2.14 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 1.52 2.48 1.25 0.00 0.00 149 D 9.09 4.78 0.00 3.08 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 3.51 0.00 2.49 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 3.97 0.00 2.81 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 0.00 152 E 8.50 4.22 0.00 2.24 2.36 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 2.33 2.32 0.00 153 F 8.05 4.49 0.00 2.78 3.31 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 0.00 154 L 7.87 3.88 0.00 1.83 1.64 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.69 4.12 0.00 1.93 2.27 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 0.00 2.37 2.41 0.00 156 F 7.88 4.45 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 157 M 7.75 3.81 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 158 K 9.09 3.61 0.00 1.76 1.72 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.33 7.81 159 G 7.64 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 6.66 4.36 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 0.68 0.00 0.00 0.80 0.00 0.00 161 E 8.28 4.45 0.00 1.86 1.76 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 2.07 2.17 0.00