NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4398 8.1933 115.2896 58.4846 65.0628 175.6786 9 I 3.6463 7.3959 121.1119 63.3082 37.3130 176.9739 10 A 4.0590 8.7226 122.7813 55.3441 18.6020 178.7669 11 Q 4.2163 8.0334 113.7359 57.1572 28.9964 177.3751 12 A 4.4285 8.0833 122.1350 53.6138 19.6626 179.4068 13 R 3.9970 7.5840 115.7654 58.7847 30.1091 178.9709 14 K 3.9813 7.9329 119.5327 59.0608 32.1039 178.6811 15 L 3.8773 7.4277 120.8879 58.2142 42.0539 179.0111 16 V 3.5363 7.5341 117.8508 66.0467 31.4737 177.5624 17 E 3.8969 8.2832 118.9617 59.2705 29.4737 178.6154 18 Q 3.9546 8.1228 119.6363 59.0792 29.0774 178.0384 19 L 3.9614 8.5957 120.4203 57.8156 41.8154 179.3674 20 K 3.8526 8.2106 118.4812 59.9613 31.7823 179.0337 21 M 4.0491 7.6272 116.8780 58.6676 32.0207 178.4703 22 E 4.0918 7.9276 116.9549 59.2879 29.7455 179.0183 23 A 4.1756 8.4546 121.4117 54.7236 18.1651 178.1755 24 N 4.7857 7.5951 113.0283 53.0572 39.1031 174.9801 25 I 4.1546 6.7371 111.5517 60.2490 38.7979 174.5254 26 D 5.0645 8.2795 119.5896 51.5786 41.8995 175.1644 27 R 4.7238 8.2217 118.0737 54.4489 34.0549 174.5828 28 I 4.5279 7.8363 112.0531 58.5333 40.3356 176.1823 29 K 4.0116 8.3242 120.4981 56.7000 33.5856 178.4790 30 V 3.6357 8.4664 122.3168 65.9448 31.3858 178.4245 31 S 4.1069 8.0908 113.7511 61.5158 62.4546 176.4567 32 K 3.9363 7.9616 121.4584 58.7482 32.3174 178.1185 33 A 4.0983 8.1254 120.8505 55.2620 18.2961 179.2808 34 A 3.9241 8.3466 119.1191 55.4860 18.4511 179.7461 35 A 3.9466 7.8824 118.6685 55.3546 18.3833 179.6031 36 D 4.3885 8.0834 117.5871 57.1108 40.9148 179.0536 37 L 3.9579 7.8107 119.1662 58.1250 41.7279 178.6702 38 M 4.0148 8.3026 118.0863 58.9765 32.0360 178.1720 39 A 4.0301 8.2904 120.7169 55.0571 18.5479 179.0255 40 Y 3.9475 8.0399 118.1852 61.0940 38.7938 177.9538 41 C 4.1583 8.3328 117.6378 63.0839 28.0354 176.1107 42 E 3.9442 7.8250 118.8699 59.1845 29.0609 178.9470 43 A 4.0511 7.7917 120.2952 54.3710 18.4355 177.9108 44 H 4.6427 7.4544 112.4725 55.5078 29.4064 176.4415 45 A 3.9958 7.7343 126.4131 55.2595 18.2188 180.8502 46 K 4.1151 7.9209 113.0923 58.3980 32.3495 177.5063 47 E 4.2434 7.5988 117.0063 56.2605 30.1809 175.4314 48 D 4.7105 7.6195 120.3887 51.8449 40.9441 175.0516 49 P 5.0899 0.0000 0.0000 64.7544 31.6364 179.0292 50 L 4.1842 8.1211 117.5676 56.8783 41.8883 178.1159 51 L 4.2834 8.1596 117.3251 56.3247 42.5141 176.7730 52 T 4.4455 8.1697 118.7038 60.3803 68.4207 171.4841 53 P 4.6643 0.0000 0.0000 62.1949 32.0285 177.1024 54 V 4.2692 7.9084 113.8444 58.9945 33.7280 174.0207 55 P 4.3681 0.0000 0.0000 62.3294 31.9349 177.9956 56 A 4.0878 8.6750 125.1235 55.1083 18.2541 179.4131 57 S 4.3364 8.0943 109.1845 59.9345 63.4612 174.9904 58 E 4.3574 8.2522 119.9481 55.9861 30.2115 174.9313 59 N 4.7566 7.5758 119.2284 51.2148 39.7002 173.5225 60 P 4.2333 0.0000 0.0000 65.3526 31.4209 177.1817 61 F 4.6769 8.1144 113.9206 57.5021 38.5577 175.8010 62 R 4.5202 7.2296 117.5947 56.6660 32.5357 176.0235 63 E 4.6502 8.4659 117.2482 55.4327 32.3560 176.1704 64 K 4.0260 7.9475 120.5471 56.0234 32.7636 175.9641 65 K 4.3859 8.4657 125.0632 57.4945 33.6290 176.7654 66 F 4.6955 7.4568 112.1811 55.6905 39.2747 175.5458 67 F 4.2735 8.4680 120.7981 57.9327 39.8668 174.4097 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 8 S 8.19 4.44 0.00 3.87 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 9 I 7.40 3.65 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 1.57 0.80 0.91 0.00 0.00 10 A 8.72 4.06 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 11 Q 8.03 4.22 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 12 A 8.08 4.43 1.37 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 0.00 0.00 0.00 13 R 7.58 4.00 0.00 2.14 1.98 0.00 3.25 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 14 K 7.93 3.98 0.00 2.00 1.79 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 15 L 7.43 3.88 0.00 1.85 1.82 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.53 3.54 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 1.01 0.00 0.00 0.98 0.00 0.00 17 E 8.28 3.90 0.00 2.24 1.92 0.00 0.00 0.00 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 2.36 0.00 18 Q 8.12 3.95 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 19 L 8.60 3.96 0.00 1.83 1.70 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.21 3.85 0.00 2.00 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 21 M 7.63 4.05 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.96 0.00 22 E 7.93 4.09 0.00 2.09 2.01 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 2.34 2.32 0.00 23 A 8.45 4.18 1.35 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 0.00 0.00 24 N 7.60 4.79 0.00 2.93 2.81 0.00 0.00 7.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 6.74 4.15 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 1.51 0.71 0.91 0.00 0.00 26 D 8.28 5.06 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 27 R 8.22 4.72 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 28 I 7.84 4.53 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 1.41 0.64 0.91 0.00 0.00 29 K 8.32 4.01 0.00 1.79 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.45 7.81 30 V 8.47 3.64 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 1.18 0.00 0.00 0.93 0.00 0.00 31 S 8.09 4.11 0.00 4.09 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 0.00 32 K 7.96 3.94 0.00 1.77 2.02 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.51 7.81 33 A 8.13 4.10 1.37 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 0.00 0.00 0.00 34 A 8.35 3.92 1.36 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 0.00 0.00 0.00 35 A 7.88 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.08 4.39 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 37 L 7.81 3.96 0.00 1.86 1.74 0.91 0.79 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 38 M 8.30 4.01 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 39 A 8.29 4.03 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 40 Y 8.04 3.95 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.33 4.16 0.00 3.07 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 42 E 7.82 3.94 0.00 1.86 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 2.43 2.51 0.00 43 A 7.79 4.05 1.10 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 0.00 0.00 44 H 7.45 4.64 0.00 2.86 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.73 4.00 1.27 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 0.00 0.00 0.00 46 K 7.92 4.12 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 47 E 7.60 4.24 0.00 1.93 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 2.29 2.22 0.00 48 D 7.62 4.71 0.00 2.78 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 49 P 0.00 5.09 0.00 2.24 2.11 0.00 3.94 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 50 L 8.12 4.18 0.00 1.78 1.73 0.91 0.73 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 51 L 8.16 4.28 0.00 1.63 1.71 0.93 0.80 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 52 T 8.17 4.45 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 53 P 0.00 4.66 0.00 2.18 2.07 0.00 3.36 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 54 V 7.91 4.27 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 0.76 0.00 0.00 0.95 0.00 0.00 55 P 0.00 4.37 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 56 A 8.68 4.09 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 57 S 8.09 4.34 0.00 4.03 4.13 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 58 E 8.25 4.36 0.00 2.03 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 2.22 2.20 0.00 59 N 7.58 4.76 0.00 2.74 2.81 0.00 0.00 7.16 7.71 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 60 P 0.00 4.23 0.00 0.74 1.78 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 61 F 8.11 4.68 0.00 3.10 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 62 R 7.23 4.52 0.00 1.99 1.84 0.00 3.31 0.00 0.00 3.29 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 63 E 8.47 4.65 0.00 1.98 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 2.23 0.00 64 K 7.95 4.03 0.00 1.58 1.57 0.00 1.25 0.00 0.00 1.63 0.00 0.00 2.30 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.66 7.81 65 K 8.47 4.39 0.00 1.80 1.87 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 66 F 7.46 4.70 0.00 3.01 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 67 F 8.47 4.27 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00