NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 M 4.5224 8.1476 120.6052 55.5094 33.9212 173.6164 102 Q 4.8624 8.5950 124.4749 52.6960 30.5379 173.3632 103 I 4.3239 9.2714 117.7863 59.0379 41.6048 175.4759 104 F 5.3430 8.9130 121.4727 56.0552 42.2676 175.3050 105 V 4.7812 8.5212 120.6006 61.3377 34.9717 173.8923 106 K 4.4580 9.4033 131.1468 56.3122 33.2043 177.0339 107 T 4.7467 8.3124 118.5788 60.2263 70.8781 175.3511 108 L 4.0125 8.5626 120.7279 58.3411 41.6094 179.2388 109 T 3.9267 7.8193 107.2816 63.7951 68.8800 174.8238 110 G 4.0337 7.5966 108.0370 45.3122 0.0000 174.2372 111 K 4.1107 7.7636 120.1154 56.4820 32.5063 176.0968 112 T 4.8530 8.4857 121.3500 63.2677 69.2313 174.1716 113 I 4.6319 8.8375 119.9163 59.5084 41.1225 174.2853 114 T 5.0219 8.4022 118.8614 61.7771 70.7168 173.8488 115 L 4.7867 8.8200 125.6170 52.9025 45.2095 175.3628 116 E 4.7800 8.5983 122.2846 55.6316 30.7761 175.7360 117 V 4.3711 8.4218 122.1066 61.2578 34.7409 172.1149 118 E 4.7112 8.9041 120.5635 53.8156 31.4447 174.7905 119 P 4.2220 0.0000 0.0000 65.3596 32.6834 175.1972 120 S 4.8411 7.8535 113.6528 57.1615 62.8304 173.2747 121 D 4.5854 8.1510 125.5310 53.3164 44.7924 175.7545 122 T 4.4402 8.6341 114.4207 61.5466 69.5638 175.2681 123 I 3.7037 8.4025 123.8993 64.4044 37.0462 178.3876 124 E 3.9190 8.2395 120.3906 59.5107 28.9595 178.6724 125 N 4.3463 7.9889 116.0567 56.3080 38.6000 177.6182 126 V 3.6495 7.5111 119.8383 65.8447 31.6362 178.2973 127 K 4.2174 8.6822 119.7343 58.7305 31.6740 179.1963 128 A 3.9870 7.9497 121.0416 55.1812 18.2067 179.9095 129 K 4.2412 7.6776 117.0345 58.8761 32.0610 179.4758 130 I 3.9827 7.6521 119.8413 63.6298 37.0269 177.9959 131 Q 4.2100 7.8731 122.2540 58.2489 28.9100 177.7097 132 D 4.3180 7.8797 120.0727 57.3996 40.7683 178.6963 133 K 4.2693 7.5461 115.0123 57.8961 32.3151 178.1334 134 E 4.5369 8.4137 117.4828 55.6400 31.3208 176.8359 135 G 4.0383 8.4878 106.9542 45.2096 0.0000 173.8502 136 I 3.9919 7.4645 120.9698 60.1703 38.0576 173.7574 137 P 4.4412 0.0000 0.0000 61.5991 32.3846 175.3201 138 P 4.2433 0.0000 0.0000 66.1178 31.2794 178.5873 139 D 4.4485 8.0757 115.0746 56.6669 40.9104 177.0738 140 Q 4.3566 8.2033 117.0547 56.0268 29.3015 175.0444 141 Q 4.7133 7.7741 117.8788 54.5194 32.0209 174.8533 142 R 4.6337 8.4885 120.3045 55.3134 33.6977 173.4601 143 L 5.1909 8.6307 126.3668 53.2633 44.2149 175.5098 144 I 5.1632 8.8012 123.8300 59.7596 41.2083 174.4598 145 F 5.0107 9.0715 126.2545 57.5149 43.2405 173.9921 146 A 3.5959 8.5684 128.3812 53.2339 15.7040 177.7315 147 G 3.8847 8.1837 105.6691 46.3620 0.0000 173.5511 148 K 4.6281 7.6094 117.6757 54.5062 35.6541 174.6497 149 Q 4.7256 8.4357 121.1692 55.3360 29.7113 175.0228 150 L 4.2111 8.3013 127.2573 54.2599 42.2765 176.7298 151 E 4.3120 9.8005 123.4112 55.9558 30.5548 177.8513 152 D 4.2340 9.0473 122.9898 57.4625 41.3590 179.3503 153 G 3.6082 8.1306 107.0276 48.3046 0.0000 174.4566 154 R 4.0902 7.4643 118.6614 56.7065 31.4132 176.6469 155 T 4.7613 8.5077 117.9173 62.4545 70.2631 175.3596 156 L 4.1181 8.8090 126.8771 58.4684 42.7249 179.4699 157 S 4.3530 8.1582 113.1707 60.3995 63.5781 176.0976 158 D 4.2745 8.0125 120.6771 56.8863 40.5034 176.6068 159 Y 4.4624 7.8686 113.8514 57.0941 38.5228 174.4681 160 N 4.1227 7.9401 117.4082 54.5446 37.6907 174.6178 161 I 3.7424 7.7488 118.6889 60.8165 37.3695 175.9504 162 Q 4.6178 8.3371 128.7653 56.2701 31.5035 175.9061 163 K 3.8075 7.8193 112.3135 56.0993 33.1025 176.8773 164 E 4.9978 8.7584 123.4259 56.2116 29.0498 177.5562 165 S 4.5426 7.8579 116.6980 58.8833 64.9721 174.8648 166 T 5.2193 8.7814 117.4448 60.4838 69.3661 173.1466 167 L 5.2125 9.0760 128.1364 53.4174 45.7422 174.7634 168 H 5.1780 9.2304 118.0481 54.0459 31.4712 172.9973 169 L 5.0259 8.7455 126.1830 53.7482 43.2205 175.8972 170 V 4.5660 8.8458 119.2358 59.4045 36.0803 174.5402 171 L 4.5790 8.4243 124.5403 53.8804 42.7637 175.6086 172 R 4.4606 8.0977 127.0269 54.9983 30.9124 176.3028 173 L 4.3033 8.2281 125.5129 55.1347 42.8304 176.0901 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 8.15 4.52 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 102 Q 8.59 4.86 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.67 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 103 I 9.27 4.32 1.86 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 1.10 0.91 0.79 0.00 0.00 104 F 8.91 5.34 0.00 2.97 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 0.00 105 V 8.52 4.78 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 1.00 0.00 0.00 0.93 0.00 0.00 106 K 9.40 4.46 0.00 1.74 1.58 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.41 7.81 107 T 8.31 4.75 4.36 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 0.00 0.00 1.30 0.00 0.00 108 L 8.56 4.01 0.00 1.64 1.79 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.82 3.93 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 0.00 110 G 7.60 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 0.00 111 K 7.76 4.11 0.00 1.94 1.76 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.41 7.81 112 T 8.49 4.85 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 1.31 0.00 0.00 113 I 8.84 4.63 1.89 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 1.39 0.82 0.93 0.00 0.00 114 T 8.40 5.02 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 1.03 0.00 0.00 115 L 8.82 4.79 0.00 1.46 1.43 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.60 4.78 0.00 1.80 1.82 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 2.21 2.20 0.00 117 V 8.42 4.37 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 0.52 0.00 0.00 0.93 0.00 0.00 118 E 8.90 4.71 0.00 2.08 1.85 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 2.21 2.38 0.00 119 P 0.00 4.22 0.00 2.05 2.11 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 120 S 7.85 4.84 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.59 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 4.44 4.46 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 1.22 0.00 0.00 123 I 8.40 3.70 2.07 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.02 0.89 0.00 0.00 124 E 8.24 3.92 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 2.32 2.51 0.00 125 N 7.99 4.35 0.00 3.09 2.84 0.00 0.00 6.70 7.05 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 0.00 126 V 7.51 3.65 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 127 K 8.68 4.22 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.48 7.81 128 A 7.95 3.99 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 0.00 129 K 7.68 4.24 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.32 7.81 130 I 7.65 3.98 2.15 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 1.39 0.82 0.91 0.00 0.00 131 Q 7.87 4.21 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 132 D 7.88 4.32 0.00 2.83 2.69 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 0.00 0.00 0.00 0.00 133 K 7.55 4.27 0.00 1.77 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 134 E 8.41 4.54 0.00 2.10 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 2.30 2.43 0.00 135 G 8.49 4.04 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 0.00 0.00 0.00 136 I 7.46 3.99 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 1.42 1.07 0.91 0.00 0.00 137 P 0.00 4.44 0.00 2.18 1.96 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 138 P 0.00 4.24 0.00 2.19 2.20 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 139 D 8.08 4.45 0.00 2.67 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 0.00 140 Q 8.20 4.36 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 141 Q 7.77 4.71 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 142 R 8.49 4.63 0.00 1.91 1.73 0.00 3.12 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 143 L 8.63 5.19 0.00 1.59 1.52 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.80 5.16 1.91 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 1.11 0.71 0.91 0.00 0.00 145 F 9.07 5.01 0.00 3.06 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 3.60 0.73 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 0.00 0.00 147 G 8.18 3.88 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 0.00 0.00 0.00 148 K 7.61 4.63 0.00 1.95 1.88 0.00 1.39 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.42 7.81 149 Q 8.44 4.73 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 150 L 8.30 4.21 0.00 1.39 1.01 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.80 4.31 0.00 2.05 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 2.39 2.41 0.00 152 D 9.05 4.23 0.00 2.80 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 0.00 153 G 8.13 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.46 4.09 0.00 1.85 1.69 0.00 3.15 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 155 T 8.51 4.76 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 1.34 0.00 0.00 156 L 8.81 4.12 0.00 1.93 1.81 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.16 4.35 0.00 3.99 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 0.00 158 D 8.01 4.27 0.00 2.48 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 0.00 159 Y 7.87 4.46 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 0.00 160 N 7.94 4.12 0.00 2.95 3.01 0.00 0.00 7.16 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 0.00 161 I 7.75 3.74 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.46 0.56 0.00 0.00 162 Q 8.34 4.62 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.65 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 163 K 7.82 3.81 0.00 1.81 1.59 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 164 E 8.76 5.00 0.00 2.06 2.61 0.00 0.00 0.00 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 2.43 0.00 165 S 7.86 4.54 0.00 3.66 3.64 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 0.00 166 T 8.78 5.22 4.37 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 0.00 0.00 1.32 0.00 0.00 167 L 9.08 5.21 0.00 1.62 1.73 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 168 H 9.23 5.18 0.00 3.11 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.75 5.03 0.00 1.64 1.75 0.93 1.26 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 0.00 170 V 8.85 4.57 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 0.77 0.00 0.00 0.99 0.00 0.00 171 L 8.42 4.58 0.00 1.63 1.59 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.10 4.46 0.00 1.91 1.83 0.00 3.44 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 173 L 8.23 4.30 0.00 1.61 1.47 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00