NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 T 4.4941 8.1593 117.3238 62.7172 69.9155 173.4456 102 P 4.3170 0.0000 0.0000 61.9594 32.8783 173.9674 103 D 4.4307 8.8475 121.8284 55.4764 41.3129 177.0127 104 C 4.7411 9.1761 122.9887 57.8818 46.1336 174.1256 105 V 4.6983 7.2912 110.0693 60.1200 36.0061 173.6818 106 T 4.9057 9.0897 118.9457 60.9017 72.1559 173.9791 107 G 3.9422 7.8111 110.9967 46.2518 0.0000 171.4722 108 K 4.7992 8.2467 118.9239 56.0297 33.0901 177.7358 109 V 4.0135 8.1728 116.6827 61.0043 32.4324 176.3543 110 E 4.3494 9.0715 125.9793 59.4355 30.0493 176.5329 111 Y 5.2258 7.3787 114.7786 57.1129 41.1898 173.3844 112 T 5.0587 8.5664 109.6107 59.9824 72.6075 172.9657 113 K 4.5466 8.0896 122.3589 55.1650 35.9637 174.0176 114 Y 4.7192 8.7611 128.6537 57.0135 39.9602 174.2251 115 N 5.0153 8.2229 123.4631 51.3693 41.2406 175.6979 116 D 4.4182 8.8310 119.8897 56.9180 41.4997 176.4890 117 D 4.6773 7.9795 116.8482 52.9738 39.4968 176.4261 118 D 4.1716 8.1460 117.1047 55.3848 39.0986 173.9357 119 T 4.4612 7.5464 110.8436 61.0015 71.2468 173.1305 120 F 5.2457 8.9787 122.9552 56.8806 42.6403 173.3582 121 T 5.2698 8.7353 123.4115 62.1487 70.6623 174.1569 122 V 4.7785 9.1044 124.4621 59.6783 35.4372 174.2337 123 K 4.6592 8.1917 123.6132 54.6433 34.4045 174.9204 124 V 4.4449 8.0018 127.3096 60.7895 34.8615 174.6943 125 G 3.7641 8.9924 116.8988 47.2462 0.0000 173.7139 126 D 4.9131 8.9099 122.4607 52.2947 39.6293 175.3909 127 K 4.8075 7.8771 118.5512 55.0282 36.3255 174.6113 128 E 4.8811 9.4480 125.4934 54.9724 31.3121 174.8040 129 L 5.5263 9.1416 126.2397 53.0247 46.7032 175.2958 130 F 5.5869 9.0573 115.3148 55.4540 41.7816 173.6619 131 T 4.4062 8.8432 114.0535 60.0324 70.5637 173.7604 132 N 4.6426 8.5782 123.3550 52.6895 38.0676 175.0091 133 R 4.1971 7.6938 119.7688 55.2000 30.1801 176.9115 134 A 3.9786 8.6450 126.4388 55.3637 17.6476 178.7091 135 N 4.3203 8.1479 114.2109 56.2033 38.5313 176.9172 136 L 4.2867 7.9355 119.6037 56.4522 41.8022 179.1325 137 Q 2.9534 7.8356 119.2001 58.7416 28.5479 178.9378 138 S 4.1524 7.8218 114.5249 61.0783 63.1909 176.2965 139 L 3.8224 7.2848 119.5140 57.6890 41.3074 179.4354 140 L 4.3098 8.4050 119.3727 57.7428 41.5059 179.3219 141 L 4.1286 8.2098 120.4160 58.2196 42.0371 179.1177 142 S 4.1131 8.4712 115.2666 61.6472 62.7922 176.5693 143 A 4.0944 8.2853 123.4184 55.0732 17.8677 179.4954 144 Q 3.9464 8.4530 118.2048 59.5570 28.9987 178.6003 145 I 3.8720 7.9324 119.9750 64.1234 37.2672 177.6628 146 T 4.3902 7.9982 107.6431 61.0678 69.2055 174.8828 147 G 3.8417 7.7772 108.9729 46.9842 0.0000 174.0048 148 M 4.4072 7.8725 118.2699 55.0962 33.1602 176.4511 149 T 4.4678 8.3720 118.1136 63.2412 70.1817 174.4784 150 V 4.8505 8.7844 119.1015 59.7551 35.7469 174.6522 151 T 4.9394 8.3604 118.9944 61.8938 71.6672 172.9929 152 I 4.5510 8.3955 127.3783 59.4360 39.5411 174.6767 153 K 4.9192 8.2254 126.1990 54.9906 33.7624 175.6197 154 T 4.5293 8.0841 117.6093 61.4781 70.2726 173.2718 155 N 4.4675 9.0339 123.2626 54.6711 39.8098 175.9517 156 A 4.4993 7.9638 124.6287 50.8745 17.6617 176.7649 157 C 4.7533 7.5313 122.6971 53.9083 42.1259 171.7392 158 H 4.8655 7.4693 118.0869 53.4964 31.0319 173.7064 159 N 4.6798 8.6512 118.3730 55.1850 38.5651 175.7917 160 G 4.0757 9.4400 112.0706 45.1460 0.0000 173.5960 161 G 4.0433 7.5291 107.4699 45.1105 0.0000 174.1022 162 G 3.5070 8.4494 109.6220 45.3866 0.0000 172.5536 163 F 5.1367 7.6481 114.9910 55.7713 40.6288 174.2646 164 S 4.4429 8.7744 111.2443 57.3506 64.6916 173.4920 165 E 4.7461 8.2102 121.4158 54.8073 31.3246 175.1553 166 V 4.7704 8.2409 122.9781 61.3457 35.1372 173.6906 167 I 4.4454 8.5353 128.0409 59.4773 39.8473 174.3410 168 F 5.0478 8.8461 125.1651 55.7800 41.0476 175.9176 169 R 4.3418 8.8814 122.1557 56.3249 30.8703 175.4453 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 T 8.16 4.49 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 1.19 0.00 0.00 102 P 0.00 4.32 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 103 D 8.85 4.43 0.00 2.52 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 0.00 104 C 9.18 4.74 0.00 2.86 3.14 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 0.00 105 V 7.29 4.70 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 0.63 0.00 0.00 0.76 0.00 0.00 106 T 9.09 4.91 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 107 G 7.81 3.94 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 0.00 0.00 0.00 108 K 8.25 4.80 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.46 7.81 109 V 8.17 4.01 2.06 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 0.73 0.00 0.00 0.97 0.00 0.00 110 E 9.07 4.35 0.00 1.63 2.06 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 2.38 2.34 0.00 111 Y 7.38 5.23 0.00 2.92 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 0.00 112 T 8.57 5.06 3.71 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 K 8.09 4.55 0.00 1.85 1.61 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.40 7.81 114 Y 8.76 4.72 0.00 3.26 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 0.00 115 N 8.22 5.02 0.00 2.76 2.62 0.00 0.00 6.33 7.36 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 0.00 116 D 8.83 4.42 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 0.00 117 D 7.98 4.68 0.00 2.78 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 0.00 118 D 8.15 4.17 0.00 2.88 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 0.00 119 T 7.55 4.46 4.54 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 1.26 0.00 0.00 120 F 8.98 5.25 0.00 2.97 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 0.00 121 T 8.74 5.27 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 1.33 0.00 0.00 122 V 9.10 4.78 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 0.85 0.00 0.00 0.88 0.00 0.00 123 K 8.19 4.66 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 1.14 7.81 124 V 8.00 4.44 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 0.84 0.00 0.00 0.78 0.00 0.00 125 G 8.99 3.76 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 0.00 0.00 0.00 126 D 8.91 4.91 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.81 0.00 1.61 1.65 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.44 7.81 128 E 9.45 4.88 0.00 2.20 1.87 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 2.29 2.31 0.00 129 L 9.14 5.53 0.00 1.57 1.75 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.06 5.59 0.00 3.21 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 0.00 131 T 8.84 4.41 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 1.13 0.00 0.00 132 N 8.58 4.64 0.00 2.89 3.00 0.00 0.00 6.09 7.66 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 0.00 133 R 7.69 4.20 0.00 1.81 1.88 0.00 3.27 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 134 A 8.65 3.98 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 0.00 135 N 8.15 4.32 0.00 2.74 2.88 0.00 0.00 7.18 6.74 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 0.00 136 L 7.94 4.29 0.00 1.89 1.79 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 7.84 2.95 0.00 1.86 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 1.61 2.20 0.00 138 S 7.82 4.15 0.00 4.00 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 0.00 139 L 7.28 3.82 0.00 1.94 1.43 0.87 0.39 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 0.00 140 L 8.41 4.31 0.00 2.00 2.06 1.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.21 4.13 0.00 1.94 1.73 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.47 4.11 0.00 4.01 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 0.00 143 A 8.29 4.09 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 0.00 144 Q 8.45 3.95 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 145 I 7.93 3.87 2.03 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 1.62 0.83 0.93 0.00 0.00 146 T 8.00 4.39 4.26 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 1.26 0.00 0.00 147 G 7.78 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 0.00 0.00 0.00 148 M 7.87 4.41 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 149 T 8.37 4.47 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 1.18 0.00 0.00 150 V 8.78 4.85 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 0.79 0.00 0.00 0.86 0.00 0.00 151 T 8.36 4.94 4.12 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 1.12 0.00 0.00 152 I 8.40 4.55 1.51 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.35 0.15 0.00 0.00 153 K 8.23 4.92 0.00 1.59 1.74 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.27 7.81 154 T 8.08 4.53 4.27 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 0.00 0.00 1.17 0.00 0.00 155 N 9.03 4.47 0.00 2.75 2.85 0.00 0.00 6.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.96 4.50 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 157 C 7.53 4.75 0.00 3.06 3.01 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 0.00 158 H 7.47 4.87 0.00 3.36 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.65 4.68 0.00 2.78 2.87 0.00 0.00 7.09 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 0.00 160 G 9.44 4.08 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 0.00 0.00 0.00 161 G 7.53 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 0.00 162 G 8.45 3.51 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 0.00 0.00 0.00 0.00 163 F 7.65 5.14 0.00 2.88 2.82 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 0.00 164 S 8.77 4.44 0.00 3.90 3.85 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 0.00 0.00 0.00 165 E 8.21 4.75 0.00 2.11 1.90 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 2.33 2.30 0.00 166 V 8.24 4.77 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 1.05 0.00 0.00 167 I 8.54 4.45 1.76 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 1.20 0.59 0.89 0.00 0.00 168 F 8.85 5.05 0.00 2.90 2.97 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 0.00 0.00 0.00 0.00 169 R 8.88 4.34 0.00 1.73 1.77 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00