NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4338 8.2893 118.1879 55.0875 32.7099 175.4178 54 T 4.0563 7.9650 110.3797 60.1992 71.1438 173.8916 55 L 3.9298 9.2328 125.1145 58.6337 42.6855 180.3736 56 D 4.3305 8.0213 118.1982 57.4172 40.7793 178.2507 57 E 3.9887 8.3035 119.8158 59.2384 29.0746 179.0099 58 S 4.1246 8.3371 115.5075 61.8893 62.9288 176.4962 59 C 4.2227 8.3761 119.6260 62.5091 27.3153 176.1355 60 K 3.9436 7.9845 120.9299 59.5524 31.6089 178.8942 61 I 3.7576 7.8148 119.1079 64.2514 37.1993 177.6901 62 L 4.2962 7.7607 116.2589 53.8409 42.5452 175.8240 63 N 4.1922 7.7499 116.0198 54.8937 37.5123 173.7402 64 I 4.5815 8.2485 110.3720 58.8327 40.4364 174.8770 65 E 4.4914 9.2910 124.5453 54.0749 30.8981 175.7388 66 E 3.9710 8.9580 128.7974 59.3226 29.8095 179.1953 67 S 4.1901 8.0037 111.9288 60.7184 63.2597 174.7999 68 K 4.1902 7.9655 118.5845 56.1072 31.2929 177.4308 69 G 3.9367 8.2884 107.9372 45.9547 0.0000 175.4449 70 D 4.4201 7.9245 119.3628 56.2243 41.4108 177.3626 71 L 4.4043 7.0114 121.7869 53.2309 40.0334 175.7958 72 N 5.0785 7.4576 118.6354 50.1741 42.3419 175.1391 73 M 3.9522 8.4475 120.2095 58.8634 32.3849 177.9352 74 D 4.2834 7.9728 117.7538 57.0490 41.4975 177.9058 75 K 3.9387 7.9585 119.6786 59.6081 32.2407 178.5602 76 I 3.7289 7.9545 120.1980 64.4372 36.9229 178.0390 77 N 4.3636 8.3391 117.2243 56.6320 38.4866 177.2103 78 N 4.4093 8.3363 117.6643 56.3714 38.5741 177.8193 79 R 4.0316 8.3113 119.5442 59.1486 30.1873 178.6577 80 F 4.1294 8.5996 120.7356 61.6055 39.4321 176.7627 81 N 4.1851 8.6105 116.1460 56.5352 38.2846 176.6710 82 Y 4.1447 8.1539 120.6677 60.9523 38.8875 178.1697 83 L 3.6728 8.1895 119.8599 57.3542 41.4561 179.4202 84 F 4.0348 8.0388 120.7448 60.9812 39.5113 176.6418 85 E 3.9087 8.0650 119.0969 59.1494 29.2647 178.9052 86 V 3.5099 7.5881 117.3740 65.0624 31.7564 176.7298 87 N 4.7076 7.3952 114.2870 51.7595 39.0869 174.0413 88 D 4.4415 7.3620 122.0776 53.9182 42.0681 177.4928 89 K 4.8337 8.4777 123.9747 58.8181 33.3793 178.6512 90 E 3.8845 8.4867 120.6840 58.8755 29.4418 178.4830 91 K 4.4724 7.9839 116.0434 56.1818 32.6964 177.1266 92 G 3.8854 8.0807 105.8871 45.2986 0.0000 174.7691 93 G 3.7892 7.8409 108.5462 44.1173 0.0000 173.1517 94 S 4.6656 8.3167 113.9966 57.2874 63.3087 174.6782 95 F 4.1120 8.9111 131.4688 61.0738 39.3686 176.4260 96 Y 3.7948 8.0855 119.0714 60.7043 38.7896 177.7905 97 L 4.0083 8.0241 119.9205 57.8199 41.6334 179.3528 98 Q 3.9304 8.2266 119.7139 59.0768 28.9073 178.5022 99 S 3.9221 7.9066 116.6314 61.2141 62.7822 176.5041 100 K 3.7980 7.6162 120.9373 59.6310 31.8593 179.4427 101 V 3.7054 7.7956 118.2576 66.1440 31.3694 177.4153 102 Y 4.2971 8.4458 119.4353 61.0085 38.6821 178.3084 103 R 3.8867 8.8277 119.2056 58.8337 30.1307 178.7667 104 A 4.0357 8.7680 122.2567 54.6724 18.4566 179.6167 105 A 3.8469 8.0532 119.1478 55.0167 18.3232 179.3809 106 E 3.5617 7.9950 118.0621 59.2511 29.5669 179.0857 107 R 3.8777 8.0067 118.6282 59.5883 30.1426 178.5548 108 L 4.0104 7.8482 118.7611 57.7187 41.6019 179.7034 109 K 3.9096 8.5180 118.9800 58.8650 31.8381 179.1993 110 W 4.0510 8.3226 128.7825 60.4174 30.5602 177.3185 111 E 3.8541 8.5585 119.5289 59.5165 29.0032 178.8022 112 L 3.8781 8.0920 118.5966 57.8174 41.4622 179.4527 113 A 3.8412 7.6315 119.3603 55.1869 18.5617 179.4512 114 Q 3.7260 7.8888 116.9109 58.7742 28.4811 178.8875 115 R 3.8138 7.8290 118.5489 59.3865 30.2808 178.5725 116 E 3.9664 7.9476 117.0529 58.3624 29.5808 176.9715 117 K 4.1688 7.5192 123.7081 56.6687 32.4316 175.8635 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 53 M 8.29 4.43 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 54 T 7.97 4.06 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 1.21 0.00 0.00 55 L 9.23 3.93 0.00 1.72 1.73 0.93 1.22 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 56 D 8.02 4.33 0.00 2.77 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 57 E 8.30 3.99 0.00 2.06 1.95 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 2.32 2.36 0.00 58 S 8.34 4.12 0.00 4.12 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 59 C 8.38 4.22 0.00 2.97 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 60 K 7.98 3.94 0.00 2.07 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 61 I 7.81 3.76 2.04 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 1.54 0.83 0.95 0.00 0.00 62 L 7.76 4.30 0.00 1.68 1.76 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.75 4.19 0.00 2.90 2.90 0.00 0.00 6.92 7.82 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 64 I 8.25 4.58 1.89 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 1.20 0.74 0.98 0.00 0.00 65 E 9.29 4.49 0.00 1.96 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 2.18 2.20 0.00 66 E 8.96 3.97 0.00 2.04 1.95 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 2.38 2.32 0.00 67 S 8.00 4.19 0.00 4.02 3.99 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 68 K 7.97 4.19 0.00 1.94 1.88 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.38 7.81 69 G 8.29 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 70 D 7.92 4.42 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.01 4.40 0.00 1.83 1.63 0.96 0.90 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 72 N 7.46 5.08 0.00 2.83 2.84 0.00 0.00 5.74 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 73 M 8.45 3.95 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 74 D 7.97 4.28 0.00 2.78 2.64 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 75 K 7.96 3.94 0.00 1.87 1.94 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 76 I 7.95 3.73 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.88 0.00 0.00 77 N 8.34 4.36 0.00 2.99 2.91 0.00 0.00 7.07 6.54 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 78 N 8.34 4.41 0.00 2.77 2.90 0.00 0.00 7.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.31 4.03 0.00 2.06 2.07 0.00 3.37 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 80 F 8.60 4.13 0.00 3.15 3.34 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 81 N 8.61 4.19 0.00 2.95 2.95 0.00 0.00 6.76 8.34 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 82 Y 8.15 4.14 0.00 3.11 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 83 L 8.19 3.67 0.00 1.69 1.64 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.04 4.03 0.00 1.79 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 85 E 8.07 3.91 0.00 2.15 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 2.25 2.27 0.00 86 V 7.59 3.51 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 0.64 0.00 0.00 0.51 0.00 0.00 87 N 7.40 4.71 0.00 2.73 2.68 0.00 0.00 6.53 8.72 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 88 D 7.36 4.44 0.00 2.49 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 89 K 8.48 4.83 0.00 2.01 2.18 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.55 1.37 7.81 90 E 8.49 3.88 0.00 1.95 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 0.00 2.31 2.33 0.00 91 K 7.98 4.47 0.00 1.74 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 92 G 8.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.84 3.79 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 0.00 0.00 0.00 94 S 8.32 4.67 0.00 3.94 3.79 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 95 F 8.91 4.11 0.00 3.14 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 96 Y 8.09 3.79 0.00 3.23 3.02 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 97 L 8.02 4.01 0.00 1.90 1.70 0.95 0.89 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 98 Q 8.23 3.93 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 99 S 7.91 3.92 0.00 3.64 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 0.00 100 K 7.62 3.80 0.00 1.90 1.83 0.00 1.58 0.00 0.00 1.38 0.00 0.00 2.50 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.49 7.81 101 V 7.80 3.71 2.37 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 1.16 0.00 0.00 1.01 0.00 0.00 102 Y 8.45 4.30 0.00 3.53 3.21 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 0.00 103 R 8.83 3.89 0.00 1.83 1.96 0.00 3.40 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 104 A 8.77 4.04 1.42 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 0.00 0.00 0.00 105 A 8.05 3.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.56 0.00 1.63 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 2.18 2.13 0.00 107 R 8.01 3.88 0.00 1.93 2.11 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 108 L 7.85 4.01 0.00 1.72 1.68 0.93 1.15 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 0.00 109 K 8.52 3.91 0.00 1.67 1.76 0.00 1.40 0.00 0.00 1.30 0.00 0.00 2.56 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.32 1.39 7.81 110 W 8.32 4.05 0.00 3.36 3.23 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 0.00 111 E 8.56 3.85 0.00 2.30 2.17 0.00 0.00 0.00 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 2.40 0.00 112 L 8.09 3.88 0.00 1.94 1.63 0.94 0.95 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 0.00 113 A 7.63 3.84 1.08 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 0.00 114 Q 7.89 3.73 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 115 R 7.83 3.81 0.00 1.83 1.94 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 116 E 7.95 3.97 0.00 1.99 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 2.26 2.26 0.00 117 K 7.52 4.17 0.00 1.77 1.74 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.37 7.81