NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 M 4.4592 8.2893 120.3488 54.9955 34.0979 175.7232 34 D 4.7504 7.9333 117.3836 52.7967 40.0153 174.6870 35 T 4.1724 8.3471 118.0627 64.7583 72.1286 177.9084 36 G 3.6434 7.6753 107.4739 47.6777 0.0000 174.2793 37 L 4.2196 7.3827 121.3195 54.6205 43.1419 177.0663 38 I 4.2855 7.9266 120.8488 59.8715 38.0609 176.8788 39 T 4.2489 8.1528 116.5508 61.2605 70.9714 175.0307 40 N 4.4370 8.5537 118.3393 56.2398 38.4653 177.3521 41 E 3.9625 8.1522 120.5199 59.2673 29.7300 178.9195 42 V 3.6324 7.9088 118.4628 65.6896 31.5660 177.8416 43 L 3.9429 7.9137 119.8324 57.9332 41.9791 178.5865 44 F 4.0327 8.4482 120.6856 61.3435 39.3334 176.7553 45 L 3.8072 8.3937 120.0513 58.5231 41.9828 178.8583 46 M 4.0179 8.2561 118.6534 58.5351 31.8391 179.0077 47 T 3.8107 7.7591 115.8625 66.5183 68.6678 176.9218 48 K 4.5815 7.8797 121.8934 59.1459 32.1735 179.2133 49 C 4.2552 8.1993 114.4651 61.2689 29.7278 175.9979 50 T 4.0620 7.7574 118.4205 66.2813 67.8573 176.7038 51 E 4.0063 8.3025 120.7438 59.4605 29.4426 179.2382 52 L 4.0178 7.9673 119.0306 57.7114 41.5897 179.5270 53 F 4.1404 8.2263 120.1763 61.1598 39.3246 177.0602 54 V 3.4726 7.7183 117.5081 66.2657 31.1840 178.2605 55 R 3.8095 7.6689 117.3061 59.6020 30.0229 178.2928 56 H 4.0457 8.3295 118.2872 59.3965 29.7303 176.9478 57 L 3.6314 8.1066 121.9273 57.8149 41.8170 178.7495 58 A 4.0397 8.1648 121.2445 55.2158 18.3184 179.9317 59 G 3.5909 8.5254 104.3899 47.5272 0.0000 175.9848 60 A 3.9622 8.0447 122.9641 55.0556 18.1351 179.6300 61 A 3.8934 7.9534 119.3291 55.1998 18.3157 179.3019 62 Y 4.1060 7.9567 117.8695 61.1144 38.9905 177.9155 63 T 3.9414 8.5263 117.2276 66.5267 68.3034 176.2494 64 E 3.8376 8.1293 120.5628 58.8145 29.6532 177.9904 65 E 3.7654 7.2185 116.4797 57.9323 30.2782 177.3574 66 F 4.6052 7.5464 115.2296 54.7275 39.6682 177.9699 67 G 4.2193 8.2818 109.4662 46.8262 0.0000 176.4854 68 Q 4.2131 8.9057 122.8665 56.8001 29.0661 175.9757 69 R 3.9174 8.2550 121.2051 56.0167 30.3201 174.3848 70 P 4.7183 0.0000 0.0000 61.5863 33.3678 174.8224 71 G 3.9363 8.2871 104.2498 46.8338 0.0000 172.4469 72 E 4.1901 8.2391 116.2714 54.1023 31.9714 175.8111 73 A 4.4667 7.7364 122.7747 50.3984 19.6654 176.5902 74 L 4.5504 8.6374 125.7935 55.1118 42.6440 176.4543 75 K 4.5824 8.4229 125.1562 54.6634 34.8513 176.8228 76 Y 3.9645 8.6004 119.9008 61.0743 38.5280 177.5478 77 E 3.9638 8.3525 119.2067 59.0544 29.2140 178.7252 78 H 4.2805 7.7723 116.8597 58.4099 28.6628 177.6592 79 L 3.8214 7.9098 121.4765 57.8150 41.4194 179.4645 80 S 4.0206 7.4234 113.5595 61.4669 62.5492 176.2992 81 Q 3.8987 7.5652 123.0981 59.1154 28.8625 178.3719 82 V 3.5213 7.6247 113.2561 64.6183 31.4708 178.5544 83 V 3.5263 7.5904 116.5365 66.3214 31.2207 177.0769 84 N 4.4671 7.7803 114.6606 54.8694 38.8726 175.4740 85 K 4.2605 8.1392 120.4448 58.1176 33.1986 176.4903 86 N 4.5240 7.8335 116.5314 52.9550 39.4396 176.1742 87 K 4.0245 8.7640 124.1936 59.3275 32.5809 177.9958 88 N 4.7349 8.2353 113.6329 54.0982 37.8110 175.1205 89 L 4.9096 7.7144 118.5970 54.6456 42.8827 177.7527 90 E 4.0684 8.1552 120.9977 58.6229 29.6996 178.5337 91 F 4.3924 8.5031 112.4886 58.8917 38.2966 175.6230 92 L 4.1072 7.1951 121.0052 54.2645 41.6505 178.0581 93 L 3.9620 7.5520 120.5384 58.0738 41.5936 178.8463 94 Q 4.1986 7.8965 115.3788 58.0398 29.1358 177.2264 95 I 4.0162 7.5146 117.8301 63.1191 37.6011 176.1164 96 V 4.4083 7.8651 119.4966 60.3710 31.1128 172.8404 97 P 4.6565 0.0000 0.0000 61.2207 33.0365 176.6252 98 Q 4.2851 8.4672 117.0602 56.5470 28.8051 176.1418 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 33 M 8.29 4.46 0.00 1.99 2.16 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 2.48 2.54 0.00 34 D 7.93 4.75 0.00 2.88 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 35 T 8.35 4.17 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 36 G 7.68 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 0.00 0.00 0.00 37 L 7.38 4.22 0.00 1.65 1.64 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.93 4.29 1.88 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 1.47 0.44 0.92 0.00 0.00 39 T 8.15 4.25 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 40 N 8.55 4.44 0.00 2.79 2.92 0.00 0.00 6.43 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 41 E 8.15 3.96 0.00 2.03 1.97 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 2.43 2.36 0.00 42 V 7.91 3.63 2.25 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 1.02 0.00 0.00 0.95 0.00 0.00 43 L 7.91 3.94 0.00 1.99 1.87 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.45 4.03 0.00 3.21 3.35 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 0.00 0.00 0.00 0.00 45 L 8.39 3.81 0.00 2.06 1.82 0.98 1.35 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 46 M 8.26 4.02 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 47 T 7.76 3.81 4.20 0.00 0.00 0.00 0.00 0.00 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 48 K 7.88 4.58 0.00 1.55 1.65 0.00 1.53 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.65 0.71 7.81 49 C 8.20 4.26 0.00 3.13 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 50 T 7.76 4.06 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 1.27 0.00 0.00 51 E 8.30 4.01 0.00 2.21 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 2.32 2.58 0.00 52 L 7.97 4.02 0.00 1.94 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.23 4.14 0.00 3.24 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 54 V 7.72 3.47 2.28 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 1.06 0.00 0.00 1.08 0.00 0.00 55 R 7.67 3.81 0.00 1.83 1.93 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 56 H 8.33 4.05 0.00 3.25 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.11 3.63 0.00 0.77 1.35 0.80 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.16 4.04 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 59 G 8.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.96 1.26 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 0.00 0.00 61 A 7.95 3.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.96 4.11 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.53 3.94 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 1.22 0.00 0.00 64 E 8.13 3.84 0.00 2.13 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 2.27 2.40 0.00 65 E 7.22 3.77 0.00 1.36 1.12 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 1.47 1.47 0.00 66 F 7.55 4.61 0.00 2.43 2.77 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 0.00 0.00 0.00 67 G 8.28 4.22 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 0.00 68 Q 8.91 4.21 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 69 R 8.25 3.92 0.00 1.84 2.11 0.00 3.35 0.00 0.00 3.64 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 70 P 0.00 4.72 0.00 2.22 2.08 0.00 4.00 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 71 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 72 E 8.24 4.19 0.00 1.16 1.12 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 2.22 1.73 0.00 73 A 7.74 4.47 1.25 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 0.00 0.00 0.00 74 L 8.64 4.55 0.00 1.93 1.75 1.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.42 4.58 0.00 1.53 1.69 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.35 7.81 76 Y 8.60 3.96 0.00 3.10 2.98 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 77 E 8.35 3.96 0.00 2.22 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 2.38 2.14 0.00 78 H 7.77 4.28 0.00 3.37 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.91 3.82 0.00 1.38 1.51 0.91 0.95 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 80 S 7.42 4.02 0.00 3.97 3.82 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 81 Q 7.57 3.90 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 82 V 7.62 3.52 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 0.72 0.00 0.00 0.99 0.00 0.00 83 V 7.59 3.53 2.21 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 0.73 0.00 0.00 0.86 0.00 0.00 84 N 7.78 4.47 0.00 3.07 2.80 0.00 0.00 7.07 6.53 0.00 0.00 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 K 8.14 4.26 0.00 1.67 1.86 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.37 7.81 86 N 7.83 4.52 0.00 2.91 2.98 0.00 0.00 6.67 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 87 K 8.76 4.02 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 88 N 8.24 4.73 0.00 2.97 2.99 0.00 0.00 5.89 7.79 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 89 L 7.71 4.91 0.00 1.91 1.74 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.16 4.07 0.00 2.13 2.11 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 2.35 2.27 0.00 91 F 8.50 4.39 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.20 4.11 0.00 1.51 1.43 0.96 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.55 3.96 0.00 1.64 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.90 4.20 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 95 I 7.51 4.02 1.79 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 1.19 0.66 0.92 0.00 0.00 96 V 7.87 4.41 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 0.63 0.00 0.00 0.92 0.00 0.00 97 P 0.00 4.66 0.00 2.15 2.03 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 98 Q 8.47 4.29 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00