============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 4 0.900 6.063 144.437 51.634 -99.200 -91.000 TYR 30 0.840 11.598 130.789 44.255 -99.200 -91.000 HIS 33 0.900 19.372 143.225 43.475 -99.200 -91.000 PHE 48 1.000 30.832 138.548 31.763 -99.200 -91.000 TRP 52 1.040 35.392 136.763 26.569 -99.200 -91.000 TRP6 52 1.020 35.964 138.463 25.060 -99.200 -91.000 TRP 57 1.040 23.317 120.946 22.672 -99.200 -91.000 TRP6 57 1.020 23.336 118.687 22.044 -99.200 -91.000 PHE 60 1.000 32.836 120.028 24.131 -99.200 -91.000 TRP 72 1.040 22.442 119.715 34.065 -99.200 -91.000 TRP6 72 1.020 24.577 119.937 35.075 -99.200 -91.000 PHE 77 1.000 19.525 120.160 19.520 -99.200 -91.000 TRP 80 1.040 20.056 127.131 23.293 -99.200 -91.000 TRP6 80 1.020 22.359 126.755 22.871 -99.200 -91.000 HIS 88 0.900 16.025 136.120 20.608 -99.200 -91.000 TRP 91 1.040 17.470 124.483 13.039 -99.200 -91.000 TRP6 91 1.020 17.847 122.486 14.258 -99.200 -91.000 PHE 98 1.000 36.117 116.455 10.094 -99.200 -91.000 HIS 108 0.900 28.799 107.132 17.233 -99.200 -91.000 TRP 109 1.040 26.034 111.864 24.786 -99.200 -91.000 TRP6 109 1.020 24.188 113.300 25.138 -99.200 -91.000 TYR 110 0.840 26.378 114.022 19.917 -99.200 -91.000 TYR 117 0.840 25.524 111.152 15.364 -99.200 -91.000 TYR 134 0.840 26.785 116.779 15.164 -99.200 -91.000 HIS 140 0.900 26.170 137.635 18.755 -99.200 -91.000 TYR 144 0.840 20.918 132.049 25.171 -99.200 -91.000 TYR 147 0.840 15.681 135.669 24.656 -99.200 -91.000 PHE 159 1.000 19.905 141.996 35.362 -99.200 -91.000 PHE 171 1.000 23.707 133.798 51.728 -99.200 -91.000 TYR 225 0.840 36.416 126.415 18.741 -99.200 -91.000 TYR 240 0.840 39.055 123.298 23.969 -99.200 -91.000 TRP 245 1.040 44.678 131.840 36.355 -99.200 -91.000 TRP6 245 1.020 42.685 132.835 37.125 -99.200 -91.000 HIS 260 0.900 43.331 122.227 12.634 -99.200 -91.000 HIS 282 0.900 43.442 138.498 15.898 -99.200 -91.000 HIS 331 0.900 28.271 126.223 46.436 -99.200 -91.000 TYR 333 0.840 31.567 126.855 41.989 -99.200 -91.000 PHE 335 1.000 27.447 124.791 35.018 -99.200 -91.000 TYR 340 0.840 26.834 131.110 26.298 -99.200 -91.000 TRP 344 1.040 15.713 125.977 29.829 -99.200 -91.000 TRP6 344 1.020 15.333 128.312 30.216 -99.200 -91.000 PHE 358 1.000 12.764 130.264 49.109 -99.200 -91.000 TYR 361 0.840 17.331 123.490 54.549 -99.200 -91.000 HIS 362 0.900 15.562 129.539 52.926 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1c0pA1 LEU 999 HA 0.03 -0.06 0.20 -0.75 4.35 3.76 1c0pA1 LEU 999 HB2 0.00 -0.04 0.08 -0.04 1.64 1.65 1c0pA1 LEU 999 HB3 -0.00 -0.01 0.08 -0.04 1.64 1.67 1c0pA1 LEU 999 HG 0.01 -0.03 0.01 -0.04 1.64 1.59 1c0pA1 LEU 999 HD13 0.02 0.01 -0.06 -0.04 0.93 0.85 1c0pA1 LEU 999 HD23 0.02 -0.01 0.02 -0.04 0.89 0.88 1c0pA1 MET 1000 H -0.02 0.08 0.09 -0.55 8.47 8.06 1c0pA1 MET 1000 HA -0.11 0.16 0.86 -0.75 4.52 4.67 1c0pA1 MET 1000 HB2 -0.27 -0.04 0.06 -0.04 2.15 1.86 1c0pA1 MET 1000 HB3 -0.34 0.07 -0.06 -0.04 2.03 1.67 1c0pA1 MET 1000 HG2 -0.08 0.01 0.00 -0.04 2.63 2.52 1c0pA1 MET 1000 HG3 -0.05 0.02 -0.12 -0.04 2.56 2.38 1c0pA1 MET 1000 HE3 -0.05 0.01 -0.02 -0.04 2.10 2.00 1c0pA1 MET 1001 H -0.15 0.14 0.14 -0.55 8.47 8.05 1c0pA1 MET 1001 HA -0.09 0.09 0.73 -0.75 4.52 4.49 1c0pA1 MET 1001 HB2 -0.06 -0.00 0.12 -0.04 2.15 2.16 1c0pA1 MET 1001 HB3 -0.08 -0.02 0.18 -0.04 2.03 2.07 1c0pA1 MET 1001 HG2 -0.03 0.07 -0.20 -0.04 2.63 2.43 1c0pA1 MET 1001 HG3 -0.02 0.00 0.01 -0.04 2.56 2.52 1c0pA1 MET 1001 HE3 -0.03 -0.00 -0.02 -0.04 2.10 2.00 1c0pA1 HIS 1002 H 0.02 0.18 0.14 -0.55 8.41 8.20 1c0pA1 HIS 1002 HA -0.00 0.14 0.74 -0.75 4.63 4.75 1c0pA1 HIS 1002 HB2 0.01 0.03 -0.01 -0.04 3.26 3.24 1c0pA1 HIS 1002 HB3 0.00 0.01 0.06 -0.04 3.20 3.22 1c0pA1 HIS 1002 HD2 0.00 0.03 0.04 -0.04 6.97 7.00 1c0pA1 HIS 1002 HE1 -0.00 -0.02 -0.04 -0.04 7.75 7.64 1c0pA1 SER 1003 H 0.10 0.12 0.15 -0.55 8.46 8.28 1c0pA1 SER 1003 HA 0.02 0.07 0.39 -0.75 4.49 4.22 1c0pA1 SER 1003 HB2 0.03 0.07 0.16 -0.04 3.95 4.17 1c0pA1 SER 1003 HB3 0.05 -0.00 0.07 -0.04 3.93 4.00 1c0pA1 GLN 1004 H 0.03 0.19 0.18 -0.55 8.47 8.33 1c0pA1 GLN 1004 HA 0.09 0.18 0.85 -0.75 4.36 4.73 1c0pA1 GLN 1004 HB2 0.06 0.00 0.13 -0.04 2.15 2.31 1c0pA1 GLN 1004 HB3 0.11 0.05 0.25 -0.04 2.02 2.39 1c0pA1 GLN 1004 HG2 0.07 0.00 0.02 -0.04 2.40 2.45 1c0pA1 GLN 1004 HG3 0.06 0.12 -0.12 -0.04 2.39 2.41 1c0pA1 GLN 1004 HE21 0.04 -0.04 0.01 -0.04 6.97 6.94 1c0pA1 GLN 1004 HE22 0.05 0.00 0.00 -0.04 7.69 7.70 1c0pA1 LYS 1005 H 0.05 0.04 -0.19 -0.55 8.42 7.77 1c0pA1 LYS 1005 HA 0.17 0.24 0.77 -0.75 4.32 4.74 1c0pA1 LYS 1005 HB2 -0.17 0.03 0.15 -0.04 1.87 1.84 1c0pA1 LYS 1005 HB3 -0.48 -0.01 0.14 -0.04 1.79 1.40 1c0pA1 LYS 1005 HG2 -0.29 0.10 -0.10 -0.04 1.46 1.12 1c0pA1 LYS 1005 HG3 -0.10 -0.17 -0.33 -0.04 1.46 0.83 1c0pA1 LYS 1005 HD2 -0.30 -0.02 -0.07 -0.04 1.69 1.27 1c0pA1 LYS 1005 HD3 -0.27 0.01 -0.05 -0.04 1.68 1.34 1c0pA1 LYS 1005 HE2 -0.82 0.08 -0.49 -0.04 2.99 1.73 1c0pA1 LYS 1005 HE3 -1.62 -0.06 -0.13 -0.04 2.99 1.13 1c0pA1 ARG 1006 H 0.17 0.15 -0.10 -0.55 8.46 8.14 1c0pA1 ARG 1006 HA 0.08 0.26 0.81 -0.75 4.34 4.74 1c0pA1 ARG 1006 HB2 0.08 -0.08 0.16 -0.04 1.90 2.01 1c0pA1 ARG 1006 HB3 0.04 0.12 0.06 -0.04 1.80 1.98 1c0pA1 ARG 1006 HG2 0.03 0.02 0.02 -0.04 1.67 1.70 1c0pA1 ARG 1006 HG3 0.06 -0.14 -0.06 -0.04 1.67 1.49 1c0pA1 ARG 1006 HD2 0.02 -0.02 0.03 -0.04 3.22 3.20 1c0pA1 ARG 1006 HD3 0.03 -0.04 0.04 -0.04 3.22 3.22 1c0pA1 VAL 1007 H 0.04 0.75 0.40 -0.55 8.24 8.87 1c0pA1 VAL 1007 HA 0.02 0.17 0.86 -0.75 4.13 4.42 1c0pA1 VAL 1007 HB -0.10 0.00 -0.10 -0.04 2.12 1.88 1c0pA1 VAL 1007 HG13 -0.08 -0.00 -0.31 -0.04 0.97 0.53 1c0pA1 VAL 1007 HG23 -0.09 -0.01 -0.18 -0.04 0.95 0.63 1c0pA1 VAL 1008 H -0.09 0.49 0.31 -0.55 8.24 8.40 1c0pA1 VAL 1008 HA -0.06 0.34 1.04 -0.75 4.13 4.70 1c0pA1 VAL 1008 HB -0.19 -0.04 0.14 -0.04 2.12 1.99 1c0pA1 VAL 1008 HG13 -0.13 -0.02 -0.16 -0.04 0.97 0.63 1c0pA1 VAL 1008 HG23 -0.00 0.01 -0.09 -0.04 0.95 0.82 1c0pA1 VAL 1009 H -0.14 0.69 0.33 -0.55 8.24 8.57 1c0pA1 VAL 1009 HA -0.12 0.06 0.99 -0.75 4.13 4.31 1c0pA1 VAL 1009 HB -0.16 -0.00 0.11 -0.04 2.12 2.03 1c0pA1 VAL 1009 HG13 -0.09 0.06 -0.08 -0.04 0.97 0.81 1c0pA1 VAL 1009 HG23 -0.13 -0.00 -0.15 -0.04 0.95 0.62 1c0pA1 LEU 1010 H -0.10 0.79 0.31 -0.55 8.37 8.82 1c0pA1 LEU 1010 HA -0.09 0.27 0.86 -0.75 4.35 4.64 1c0pA1 LEU 1010 HB2 -0.12 0.04 -0.00 -0.04 1.64 1.52 1c0pA1 LEU 1010 HB3 -0.07 -0.04 0.22 -0.04 1.64 1.71 1c0pA1 LEU 1010 HG -0.04 -0.08 -0.15 -0.04 1.64 1.32 1c0pA1 LEU 1010 HD13 -0.06 0.05 -0.05 -0.04 0.93 0.84 1c0pA1 LEU 1010 HD23 -0.05 -0.02 -0.11 -0.04 0.89 0.67 1c0pA1 GLY 1011 H -0.06 0.68 0.24 -0.55 8.43 8.75 1c0pA1 GLY 1011 HA2 -0.01 -0.13 0.47 -0.51 4.01 3.83 1c0pA1 GLY 1011 HA3 0.01 0.32 0.84 -0.51 4.01 4.66 1c0pA1 SER 1012 H 0.01 0.10 0.16 -0.55 8.46 8.18 1c0pA1 SER 1012 HA 0.06 0.21 0.77 -0.75 4.49 4.77 1c0pA1 SER 1012 HB2 0.07 0.03 -0.23 -0.04 3.95 3.78 1c0pA1 SER 1012 HB3 0.01 0.22 0.13 -0.04 3.93 4.25 1c0pA1 GLY 1013 H 0.13 0.05 0.05 -0.55 8.43 8.11 1c0pA1 GLY 1013 HA2 0.30 0.25 0.72 -0.51 4.01 4.76 1c0pA1 GLY 1013 HA3 0.19 -0.07 0.40 -0.51 4.01 4.03 1c0pA1 VAL 1014 H -0.06 0.12 0.10 -0.55 8.24 7.84 1c0pA1 VAL 1014 HA -0.00 0.17 0.28 -0.75 4.13 3.82 1c0pA1 VAL 1014 HB -0.50 0.05 0.07 -0.04 2.12 1.69 1c0pA1 VAL 1014 HG13 -0.57 -0.01 -0.18 -0.04 0.97 0.17 1c0pA1 VAL 1014 HG23 -0.07 0.03 -0.05 -0.04 0.95 0.82 1c0pA1 ILE 1015 H -0.09 -0.04 -0.28 -0.55 8.25 7.29 1c0pA1 ILE 1015 HA -0.21 0.17 0.52 -0.75 4.18 3.91 1c0pA1 ILE 1015 HB -0.06 -0.08 0.08 -0.04 1.89 1.80 1c0pA1 ILE 1015 HG12 -0.27 -0.15 -0.03 -0.04 1.49 1.00 1c0pA1 ILE 1015 HG13 -0.43 -0.03 -0.04 -0.04 1.21 0.67 1c0pA1 ILE 1015 HG23 -0.13 0.06 -0.15 -0.04 0.93 0.67 1c0pA1 ILE 1015 HD13 -0.91 0.04 -0.08 -0.04 0.88 -0.11 1c0pA1 GLY 1016 H -0.01 -0.03 -0.20 -0.55 8.43 7.64 1c0pA1 GLY 1016 HA2 -0.05 0.05 0.32 -0.51 4.01 3.82 1c0pA1 GLY 1016 HA3 -0.02 0.27 0.12 -0.51 4.01 3.87 1c0pA1 LEU 1017 H 0.00 0.50 -0.30 -0.55 8.37 8.03 1c0pA1 LEU 1017 HA -0.01 0.08 0.32 -0.75 4.35 3.98 1c0pA1 LEU 1017 HB2 0.04 -0.02 -0.02 -0.04 1.64 1.59 1c0pA1 LEU 1017 HB3 0.03 0.00 -0.15 -0.04 1.64 1.48 1c0pA1 LEU 1017 HG 0.09 -0.03 -0.17 -0.04 1.64 1.49 1c0pA1 LEU 1017 HD13 0.09 -0.01 -0.15 -0.04 0.93 0.82 1c0pA1 LEU 1017 HD23 0.20 -0.00 -0.08 -0.04 0.89 0.96 1c0pA1 SER 1018 H -0.02 0.46 -0.25 -0.55 8.46 8.11 1c0pA1 SER 1018 HA 0.06 0.04 0.38 -0.75 4.49 4.22 1c0pA1 SER 1018 HB2 -0.09 0.04 0.14 -0.04 3.95 4.00 1c0pA1 SER 1018 HB3 -0.04 -0.03 -0.05 -0.04 3.93 3.77 1c0pA1 SER 1019 H -0.13 0.57 -0.16 -0.55 8.46 8.19 1c0pA1 SER 1019 HA -0.23 0.01 0.43 -0.75 4.49 3.94 1c0pA1 SER 1019 HB2 -0.12 0.07 0.10 -0.04 3.95 3.96 1c0pA1 SER 1019 HB3 -0.14 -0.03 -0.04 -0.04 3.93 3.68 1c0pA1 ALA 1020 H -0.11 0.63 -0.16 -0.55 8.40 8.21 1c0pA1 ALA 1020 HA -0.13 -0.01 0.34 -0.75 4.34 3.79 1c0pA1 ALA 1020 HB3 -0.13 0.02 0.03 -0.04 1.41 1.29 1c0pA1 LEU 1021 H -0.08 0.46 -0.33 -0.55 8.37 7.87 1c0pA1 LEU 1021 HA -0.03 0.05 0.35 -0.75 4.35 3.96 1c0pA1 LEU 1021 HB2 0.00 0.04 0.06 -0.04 1.64 1.71 1c0pA1 LEU 1021 HB3 0.04 0.04 0.12 -0.04 1.64 1.80 1c0pA1 LEU 1021 HG 0.17 -0.00 -0.22 -0.04 1.64 1.55 1c0pA1 LEU 1021 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.78 1c0pA1 LEU 1021 HD23 0.14 -0.01 -0.04 -0.04 0.89 0.94 1c0pA1 ILE 1022 H -0.22 0.51 -0.07 -0.55 8.25 7.93 1c0pA1 ILE 1022 HA -0.08 0.03 0.48 -0.75 4.18 3.85 1c0pA1 ILE 1022 HB -0.31 0.07 0.05 -0.04 1.89 1.66 1c0pA1 ILE 1022 HG12 -0.58 -0.02 -0.02 -0.04 1.49 0.83 1c0pA1 ILE 1022 HG13 -0.86 0.13 0.05 -0.04 1.21 0.50 1c0pA1 ILE 1022 HG23 -0.16 -0.01 -0.12 -0.04 0.93 0.59 1c0pA1 ILE 1022 HD13 -1.23 -0.05 -0.16 -0.04 0.88 -0.60 1c0pA1 LEU 1023 H -0.13 0.53 -0.21 -0.55 8.37 8.01 1c0pA1 LEU 1023 HA 0.01 -0.00 0.43 -0.75 4.35 4.04 1c0pA1 LEU 1023 HB2 -0.13 0.11 0.07 -0.04 1.64 1.65 1c0pA1 LEU 1023 HB3 -0.18 -0.04 -0.09 -0.04 1.64 1.29 1c0pA1 LEU 1023 HG -0.19 0.09 -0.01 -0.04 1.64 1.49 1c0pA1 LEU 1023 HD13 -0.23 -0.03 -0.21 -0.04 0.93 0.42 1c0pA1 LEU 1023 HD23 -0.48 -0.01 -0.06 -0.04 0.89 0.29 1c0pA1 ALA 1024 H -0.04 0.63 -0.09 -0.55 8.40 8.35 1c0pA1 ALA 1024 HA 0.02 0.23 0.48 -0.75 4.34 4.32 1c0pA1 ALA 1024 HB3 -0.02 0.01 0.10 -0.04 1.41 1.46 1c0pA1 ARG 1025 H 0.01 0.54 -0.15 -0.55 8.46 8.30 1c0pA1 ARG 1025 HA 0.02 0.03 0.49 -0.75 4.34 4.12 1c0pA1 ARG 1025 HB2 0.03 0.13 0.17 -0.04 1.90 2.19 1c0pA1 ARG 1025 HB3 0.05 -0.08 0.02 -0.04 1.80 1.75 1c0pA1 ARG 1025 HG2 0.05 -0.04 0.03 -0.04 1.67 1.68 1c0pA1 ARG 1025 HG3 0.06 0.17 0.05 -0.04 1.67 1.91 1c0pA1 ARG 1025 HD2 0.19 -0.05 -0.08 -0.04 3.22 3.24 1c0pA1 ARG 1025 HD3 0.14 -0.03 -0.02 -0.04 3.22 3.27 1c0pA1 LYS 1026 H 0.04 0.37 -0.33 -0.55 8.42 7.94 1c0pA1 LYS 1026 HA -0.01 0.04 0.57 -0.75 4.32 4.17 1c0pA1 LYS 1026 HB2 0.18 0.08 0.14 -0.04 1.87 2.22 1c0pA1 LYS 1026 HB3 0.04 -0.07 0.12 -0.04 1.79 1.84 1c0pA1 LYS 1026 HG2 0.02 -0.06 0.01 -0.04 1.46 1.39 1c0pA1 LYS 1026 HG3 0.02 0.11 0.00 -0.04 1.46 1.55 1c0pA1 LYS 1026 HD2 0.02 -0.01 -0.14 -0.04 1.69 1.52 1c0pA1 LYS 1026 HD3 0.13 -0.01 -0.03 -0.04 1.68 1.73 1c0pA1 LYS 1026 HE2 -0.01 -0.02 -0.08 -0.04 2.99 2.84 1c0pA1 LYS 1026 HE3 -0.00 -0.08 -0.17 -0.04 2.99 2.69 1c0pA1 GLY 1027 H -0.01 0.43 -0.50 -0.55 8.43 7.80 1c0pA1 GLY 1027 HA2 -0.07 0.07 0.27 -0.51 4.01 3.77 1c0pA1 GLY 1027 HA3 -0.15 0.02 0.54 -0.51 4.01 3.91 1c0pA1 TYR 1028 H 0.08 0.39 -0.05 -0.55 8.29 8.16 1c0pA1 TYR 1028 HA -0.13 0.07 0.69 -0.75 4.56 4.44 1c0pA1 TYR 1028 HB2 -0.12 -0.06 -0.18 -0.04 3.06 2.65 1c0pA1 TYR 1028 HB3 -0.14 0.03 -0.10 -0.04 2.98 2.74 1c0pA1 TYR 1028 HD2 -0.31 0.14 -0.07 -0.04 7.15 6.87 1c0pA1 TYR 1028 HE2 -1.15 -0.01 -0.09 -0.04 6.85 5.57 1c0pA1 SER 1029 H 0.05 0.49 0.17 -0.55 8.46 8.63 1c0pA1 SER 1029 HA 0.01 0.16 0.69 -0.75 4.49 4.59 1c0pA1 SER 1029 HB2 0.01 -0.00 0.04 -0.04 3.95 3.96 1c0pA1 SER 1029 HB3 0.03 -0.10 0.06 -0.04 3.93 3.88 1c0pA1 VAL 1030 H -0.01 0.28 0.07 -0.55 8.24 8.03 1c0pA1 VAL 1030 HA -0.02 0.30 0.82 -0.75 4.13 4.47 1c0pA1 VAL 1030 HB -0.08 -0.00 0.06 -0.04 2.12 2.06 1c0pA1 VAL 1030 HG13 -0.14 -0.04 -0.22 -0.04 0.97 0.53 1c0pA1 VAL 1030 HG23 -0.04 0.07 -0.30 -0.04 0.95 0.63 1c0pA1 HIS 1031 H 0.01 0.61 0.41 -0.55 8.41 8.89 1c0pA1 HIS 1031 HA -0.15 0.16 0.92 -0.75 4.63 4.79 1c0pA1 HIS 1031 HB2 -0.06 0.03 -0.03 -0.04 3.26 3.16 1c0pA1 HIS 1031 HB3 -0.07 0.00 0.13 -0.04 3.20 3.22 1c0pA1 HIS 1031 HD2 -0.05 -0.01 -0.17 -0.04 6.97 6.70 1c0pA1 HIS 1031 HE1 -0.00 0.02 -0.31 -0.04 7.75 7.42 1c0pA1 ILE 1032 H -0.55 0.79 0.33 -0.55 8.25 8.27 1c0pA1 ILE 1032 HA -0.27 0.27 1.00 -0.75 4.18 4.43 1c0pA1 ILE 1032 HB -0.71 -0.01 0.21 -0.04 1.89 1.34 1c0pA1 ILE 1032 HG12 -0.27 0.01 -0.07 -0.04 1.49 1.11 1c0pA1 ILE 1032 HG13 -0.42 -0.03 -0.22 -0.04 1.21 0.50 1c0pA1 ILE 1032 HG23 -0.10 -0.01 -0.23 -0.04 0.93 0.54 1c0pA1 ILE 1032 HD13 -0.72 -0.01 -0.12 -0.04 0.88 -0.01 1c0pA1 LEU 1033 H -0.18 0.66 0.36 -0.55 8.37 8.67 1c0pA1 LEU 1033 HA -0.15 0.32 0.91 -0.75 4.35 4.68 1c0pA1 LEU 1033 HB2 -0.10 -0.06 0.13 -0.04 1.64 1.57 1c0pA1 LEU 1033 HB3 -0.06 -0.06 -0.06 -0.04 1.64 1.43 1c0pA1 LEU 1033 HG -0.08 0.03 -0.19 -0.04 1.64 1.36 1c0pA1 LEU 1033 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.83 1c0pA1 LEU 1033 HD23 0.04 0.02 -0.12 -0.04 0.89 0.78 1c0pA1 ALA 1034 H -0.05 0.63 0.37 -0.55 8.40 8.80 1c0pA1 ALA 1034 HA -0.05 0.04 0.73 -0.75 4.34 4.31 1c0pA1 ALA 1034 HB3 -0.05 -0.02 -0.16 -0.04 1.41 1.14 1c0pA1 ARG 1035 H -0.07 0.08 0.22 -0.55 8.46 8.14 1c0pA1 ARG 1035 HA -0.05 0.08 0.51 -0.75 4.34 4.13 1c0pA1 ARG 1035 HB2 -0.03 0.02 0.09 -0.04 1.90 1.94 1c0pA1 ARG 1035 HB3 -0.06 -0.05 0.15 -0.04 1.80 1.80 1c0pA1 ARG 1035 HG2 -0.05 -0.00 -0.30 -0.04 1.67 1.27 1c0pA1 ARG 1035 HG3 -0.02 0.01 -0.02 -0.04 1.67 1.59 1c0pA1 ARG 1035 HD2 0.01 0.01 -0.04 -0.04 3.22 3.16 1c0pA1 ARG 1035 HD3 0.00 0.01 -0.01 -0.04 3.22 3.18 1c0pA1 ASP 1036 H -0.23 0.04 0.01 -0.55 8.40 7.68 1c0pA1 ASP 1036 HA -0.27 0.17 0.77 -0.75 4.63 4.55 1c0pA1 ASP 1036 HB2 -1.28 -0.11 0.00 -0.04 2.71 1.28 1c0pA1 ASP 1036 HB3 -1.56 0.11 -0.08 -0.04 2.70 1.13 1c0pA1 LEU 1037 H -0.17 0.15 0.12 -0.55 8.37 7.92 1c0pA1 LEU 1037 HA -0.05 0.22 0.63 -0.75 4.35 4.40 1c0pA1 LEU 1037 HB2 -0.07 -0.04 -0.00 -0.04 1.64 1.48 1c0pA1 LEU 1037 HB3 -0.11 0.07 0.05 -0.04 1.64 1.61 1c0pA1 LEU 1037 HG -0.06 -0.02 -0.44 -0.04 1.64 1.07 1c0pA1 LEU 1037 HD13 -0.04 0.01 -0.15 -0.04 0.93 0.71 1c0pA1 LEU 1037 HD23 0.07 0.04 -0.22 -0.04 0.89 0.74 1c0pA1 PRO 1038 HA 0.15 0.09 0.23 -0.51 4.44 4.40 1c0pA1 PRO 1038 HB2 -0.06 0.05 -0.06 -0.04 2.28 2.16 1c0pA1 PRO 1038 HB3 0.03 0.01 -0.20 -0.04 2.02 1.82 1c0pA1 PRO 1038 HG2 -0.06 0.09 0.00 -0.04 2.03 2.03 1c0pA1 PRO 1038 HG3 0.08 0.12 0.00 -0.04 2.03 2.19 1c0pA1 PRO 1038 HD2 -0.21 0.12 0.12 -0.04 3.68 3.66 1c0pA1 PRO 1038 HD3 -0.00 0.12 0.18 -0.04 3.65 3.91 1c0pA1 GLU 1039 H -0.05 0.07 -0.37 -0.55 8.60 7.70 1c0pA1 GLU 1039 HA -0.02 0.15 0.47 -0.75 4.29 4.14 1c0pA1 GLU 1039 HB2 -0.02 0.02 0.08 -0.04 2.09 2.12 1c0pA1 GLU 1039 HB3 -0.05 0.04 0.04 -0.04 1.99 1.98 1c0pA1 GLU 1039 HG2 -0.03 -0.05 -0.15 -0.04 2.34 2.07 1c0pA1 GLU 1039 HG3 -0.03 0.03 -0.08 -0.04 2.34 2.22 1c0pA1 ASP 1040 H 0.07 0.55 -0.39 -0.55 8.40 8.08 1c0pA1 ASP 1040 HA 0.05 0.09 0.45 -0.75 4.63 4.47 1c0pA1 ASP 1040 HB2 0.12 0.13 0.20 -0.04 2.71 3.13 1c0pA1 ASP 1040 HB3 0.12 -0.08 0.17 -0.04 2.70 2.86 1c0pA1 VAL 1041 H 0.01 0.46 0.06 -0.55 8.24 8.21 1c0pA1 VAL 1041 HA -0.14 0.08 0.05 -0.75 4.13 3.37 1c0pA1 VAL 1041 HB -0.11 0.02 0.10 -0.04 2.12 2.09 1c0pA1 VAL 1041 HG13 -0.03 0.01 -0.06 -0.04 0.97 0.85 1c0pA1 VAL 1041 HG23 -0.02 0.02 -0.04 -0.04 0.95 0.87 1c0pA1 SER 1042 H 0.03 -0.01 -0.36 -0.55 8.46 7.58 1c0pA1 SER 1042 HA -0.11 0.29 0.83 -0.75 4.49 4.74 1c0pA1 SER 1042 HB2 0.28 0.01 0.15 -0.04 3.95 4.35 1c0pA1 SER 1042 HB3 0.09 0.06 -0.07 -0.04 3.93 3.98 1c0pA1 SER 1043 H 0.18 0.40 -0.12 -0.55 8.46 8.37 1c0pA1 SER 1043 HA 0.29 0.08 0.58 -0.75 4.49 4.69 1c0pA1 SER 1043 HB2 0.20 -0.00 0.09 -0.04 3.95 4.20 1c0pA1 SER 1043 HB3 0.49 0.14 0.16 -0.04 3.93 4.67 1c0pA1 GLN 1044 H 0.30 0.17 0.23 -0.55 8.47 8.62 1c0pA1 GLN 1044 HA 0.44 0.24 0.75 -0.75 4.36 5.04 1c0pA1 GLN 1044 HB2 0.11 -0.06 0.15 -0.04 2.15 2.30 1c0pA1 GLN 1044 HB3 -0.01 -0.00 0.22 -0.04 2.02 2.18 1c0pA1 GLN 1044 HG2 -0.45 0.19 0.13 -0.04 2.40 2.23 1c0pA1 GLN 1044 HG3 0.13 0.05 0.09 -0.04 2.39 2.62 1c0pA1 GLN 1044 HE21 -0.16 0.35 0.20 -0.04 6.97 7.32 1c0pA1 GLN 1044 HE22 -0.43 0.43 0.25 -0.04 7.69 7.91 1c0pA1 THR 1045 H 0.32 0.03 -0.30 -0.55 8.28 7.78 1c0pA1 THR 1045 HA 0.22 0.24 0.72 -0.75 4.39 4.82 1c0pA1 THR 1045 HB 0.14 -0.01 0.16 -0.04 4.32 4.57 1c0pA1 THR 1045 HG23 0.13 0.01 -0.04 -0.04 1.22 1.28 1c0pA1 PHE 1046 H 0.57 0.44 -0.31 -0.55 8.34 8.49 1c0pA1 PHE 1046 HA 0.14 0.08 0.41 -0.75 4.62 4.49 1c0pA1 PHE 1046 HB2 0.10 -0.19 0.20 -0.04 3.15 3.23 1c0pA1 PHE 1046 HB3 0.10 0.12 0.02 -0.04 3.06 3.25 1c0pA1 PHE 1046 HD2 0.11 -0.10 -0.07 -0.04 7.28 7.17 1c0pA1 PHE 1046 HE2 0.02 0.16 -0.11 -0.04 7.38 7.41 1c0pA1 PHE 1046 HZ -0.01 0.16 -0.26 -0.04 7.32 7.17 1c0pA1 ALA 1047 H 0.21 0.01 0.17 -0.55 8.40 8.24 1c0pA1 ALA 1047 HA 0.32 0.22 0.58 -0.75 4.34 4.72 1c0pA1 ALA 1047 HB3 0.14 0.05 0.06 -0.04 1.41 1.62 1c0pA1 SER 1048 H -0.27 -0.02 0.00 -0.55 8.46 7.63 1c0pA1 SER 1048 HA 0.16 0.01 0.23 -0.75 4.49 4.14 1c0pA1 SER 1048 HB2 -0.27 0.11 0.09 -0.04 3.95 3.84 1c0pA1 SER 1048 HB3 0.03 0.14 0.01 -0.04 3.93 4.07 1c0pA1 PRO 1049 HA -0.39 0.03 0.37 -0.51 4.44 3.94 1c0pA1 PRO 1049 HB2 -2.14 0.09 -0.22 -0.04 2.28 -0.03 1c0pA1 PRO 1049 HB3 -0.79 0.13 0.02 -0.04 2.02 1.34 1c0pA1 PRO 1049 HG2 -0.58 0.18 -0.06 -0.04 2.03 1.53 1c0pA1 PRO 1049 HG3 -0.59 0.03 -0.10 -0.04 2.03 1.33 1c0pA1 PRO 1049 HD2 -0.80 0.25 -0.48 -0.04 3.68 2.62 1c0pA1 PRO 1049 HD3 -2.02 -0.14 -0.15 -0.04 3.65 1.30 1c0pA1 TRP 1050 H -0.15 0.39 -0.46 -0.55 7.97 7.20 1c0pA1 TRP 1050 HA -0.05 0.19 0.36 -0.75 4.62 4.37 1c0pA1 TRP 1050 HB2 -0.02 0.00 -0.01 -0.04 3.23 3.15 1c0pA1 TRP 1050 HB3 -0.02 -0.03 -0.02 -0.04 3.23 3.12 1c0pA1 TRP 1050 HD1 -0.07 -0.06 0.13 -0.04 7.22 7.19 1c0pA1 TRP 1050 HE1 0.02 0.29 0.11 -0.04 10.20 10.57 1c0pA1 TRP 1050 HE3 -0.02 -0.00 -0.14 -0.04 7.59 7.39 1c0pA1 TRP 1050 HZ2 0.05 -0.01 -0.80 -0.04 7.44 6.63 1c0pA1 TRP 1050 HZ3 0.00 -0.02 -0.07 -0.04 7.13 7.00 1c0pA1 TRP 1050 HH2 0.03 -0.00 -0.01 -0.04 7.19 7.16 1c0pA1 ALA 1051 H -0.03 0.16 -0.23 -0.55 8.40 7.75 1c0pA1 ALA 1051 HA 0.05 0.10 0.30 -0.75 4.34 4.03 1c0pA1 ALA 1051 HB3 -0.15 -0.04 0.05 -0.04 1.41 1.22 1c0pA1 GLY 1052 H -0.07 0.01 0.16 -0.55 8.43 7.99 1c0pA1 GLY 1052 HA2 -0.04 0.12 0.33 -0.51 4.01 3.91 1c0pA1 GLY 1052 HA3 -0.08 -0.09 0.34 -0.51 4.01 3.67 1c0pA1 ALA 1053 H -0.30 0.55 0.18 -0.55 8.40 8.28 1c0pA1 ALA 1053 HA -0.13 -0.17 0.40 -0.75 4.34 3.69 1c0pA1 ALA 1053 HB3 -0.49 -0.01 -0.02 -0.04 1.41 0.85 1c0pA1 ASN 1054 H 0.03 0.07 0.12 -0.55 8.53 8.21 1c0pA1 ASN 1054 HA 0.21 0.32 1.09 -0.75 4.76 5.62 1c0pA1 ASN 1054 HB2 0.15 0.12 0.10 -0.04 2.88 3.22 1c0pA1 ASN 1054 HB3 0.04 0.05 -0.11 -0.04 2.79 2.73 1c0pA1 ASN 1054 HD21 0.05 -0.01 -0.15 -0.04 7.03 6.88 1c0pA1 ASN 1054 HD22 0.08 0.07 -0.09 -0.04 7.74 7.75 1c0pA1 TRP 1055 H 0.42 0.42 0.21 -0.55 7.97 8.47 1c0pA1 TRP 1055 HA 0.01 0.00 0.76 -0.75 4.62 4.64 1c0pA1 TRP 1055 HB2 0.18 0.03 -0.00 -0.04 3.23 3.40 1c0pA1 TRP 1055 HB3 0.20 -0.06 0.27 -0.04 3.23 3.61 1c0pA1 TRP 1055 HD1 -0.53 -0.03 -0.03 -0.04 7.22 6.59 1c0pA1 TRP 1055 HE1 -0.06 0.34 0.17 -0.04 10.20 10.61 1c0pA1 TRP 1055 HE3 -0.15 0.01 -0.07 -0.04 7.59 7.34 1c0pA1 TRP 1055 HZ2 0.02 -0.04 -0.43 -0.04 7.44 6.95 1c0pA1 TRP 1055 HZ3 -0.68 0.00 -0.03 -0.04 7.13 6.38 1c0pA1 TRP 1055 HH2 -0.53 -0.04 -0.03 -0.04 7.19 6.55 1c0pA1 THR 1056 H -0.41 0.17 -0.02 -0.55 8.28 7.47 1c0pA1 THR 1056 HA -0.34 0.23 0.80 -0.75 4.39 4.33 1c0pA1 THR 1056 HB -0.48 -0.05 0.07 -0.04 4.32 3.82 1c0pA1 THR 1056 HG23 -0.19 0.04 -0.12 -0.04 1.22 0.91 1c0pA1 PRO 1057 HA -0.63 -0.05 0.42 -0.51 4.44 3.67 1c0pA1 PRO 1057 HB2 -0.65 0.04 -0.04 -0.04 2.28 1.59 1c0pA1 PRO 1057 HB3 -0.02 -0.00 0.03 -0.04 2.02 1.98 1c0pA1 PRO 1057 HG2 -1.90 0.02 -0.00 -0.04 2.03 0.10 1c0pA1 PRO 1057 HG3 -1.74 0.02 -0.03 -0.04 2.03 0.25 1c0pA1 PRO 1057 HD2 -1.41 0.15 0.08 -0.04 3.68 2.46 1c0pA1 PRO 1057 HD3 -1.29 0.16 -0.17 -0.04 3.65 2.32 1c0pA1 PHE 1058 H -0.10 0.02 0.16 -0.55 8.34 7.86 1c0pA1 PHE 1058 HA -0.03 0.30 0.89 -0.75 4.62 5.02 1c0pA1 PHE 1058 HB2 -0.04 -0.08 0.01 -0.04 3.15 3.01 1c0pA1 PHE 1058 HB3 -0.05 -0.01 0.09 -0.04 3.06 3.05 1c0pA1 PHE 1058 HD2 -0.05 -0.06 -0.06 -0.04 7.28 7.07 1c0pA1 PHE 1058 HE2 -0.02 0.04 -0.07 -0.04 7.38 7.30 1c0pA1 PHE 1058 HZ -0.03 -0.05 -0.02 -0.04 7.32 7.18 1c0pA1 MET 1059 H 0.16 0.12 0.04 -0.55 8.47 8.23 1c0pA1 MET 1059 HA 0.08 0.20 0.94 -0.75 4.52 4.99 1c0pA1 MET 1059 HB2 -0.02 -0.02 -0.04 -0.04 2.15 2.03 1c0pA1 MET 1059 HB3 -0.03 -0.01 -0.03 -0.04 2.03 1.92 1c0pA1 MET 1059 HG2 0.03 0.10 -0.15 -0.04 2.63 2.57 1c0pA1 MET 1059 HG3 0.09 -0.12 -0.42 -0.04 2.56 2.07 1c0pA1 MET 1059 HE3 -0.04 0.00 -0.21 -0.04 2.10 1.81 1c0pA1 THR 1060 H 0.03 0.11 0.11 -0.55 8.28 7.98 1c0pA1 THR 1060 HA 0.14 0.30 0.65 -0.75 4.39 4.73 1c0pA1 THR 1060 HB 0.00 -0.03 0.11 -0.04 4.32 4.36 1c0pA1 THR 1060 HG23 0.05 0.03 -0.00 -0.04 1.22 1.25 1c0pA1 LEU 1061 H -0.14 0.23 0.13 -0.55 8.37 8.03 1c0pA1 LEU 1061 HA -0.51 0.14 0.31 -0.75 4.35 3.54 1c0pA1 LEU 1061 HB2 -0.15 -0.03 0.08 -0.04 1.64 1.50 1c0pA1 LEU 1061 HB3 -0.24 0.05 -0.03 -0.04 1.64 1.38 1c0pA1 LEU 1061 HG -0.19 -0.01 0.09 -0.04 1.64 1.49 1c0pA1 LEU 1061 HD13 -0.06 0.03 0.01 -0.04 0.93 0.87 1c0pA1 LEU 1061 HD23 -0.98 0.02 -0.04 -0.04 0.89 -0.15 1c0pA1 THR 1062 H -0.10 0.05 -0.16 -0.55 8.28 7.52 1c0pA1 THR 1062 HA -0.10 0.14 0.36 -0.75 4.39 4.04 1c0pA1 THR 1062 HB -0.05 -0.07 0.03 -0.04 4.32 4.19 1c0pA1 THR 1062 HG23 -0.05 0.03 -0.09 -0.04 1.22 1.07 1c0pA1 ASP 1063 H -0.08 -0.05 -0.27 -0.55 8.40 7.46 1c0pA1 ASP 1063 HA -0.06 0.10 0.47 -0.75 4.63 4.38 1c0pA1 ASP 1063 HB2 -0.04 -0.13 0.09 -0.04 2.71 2.58 1c0pA1 ASP 1063 HB3 -0.04 0.04 0.00 -0.04 2.70 2.66 1c0pA1 GLY 1064 H -0.17 0.42 -0.39 -0.55 8.43 7.75 1c0pA1 GLY 1064 HA2 -0.17 0.22 0.86 -0.51 4.01 4.41 1c0pA1 GLY 1064 HA3 -0.16 -0.09 0.21 -0.51 4.01 3.47 1c0pA1 PRO 1065 HA -0.35 0.05 0.47 -0.51 4.44 4.11 1c0pA1 PRO 1065 HB2 -0.22 -0.00 0.01 -0.04 2.28 2.03 1c0pA1 PRO 1065 HB3 -0.20 0.09 0.11 -0.04 2.02 1.98 1c0pA1 PRO 1065 HG2 -0.21 -0.08 0.10 -0.04 2.03 1.80 1c0pA1 PRO 1065 HG3 -0.15 0.10 0.06 -0.04 2.03 1.99 1c0pA1 PRO 1065 HD2 -0.18 0.19 -0.09 -0.04 3.68 3.56 1c0pA1 PRO 1065 HD3 -0.17 0.33 -0.31 -0.04 3.65 3.46 1c0pA1 ARG 1066 H -0.41 0.22 -0.08 -0.55 8.46 7.64 1c0pA1 ARG 1066 HA -0.71 0.10 0.41 -0.75 4.34 3.38 1c0pA1 ARG 1066 HB2 -0.91 -0.01 0.01 -0.04 1.90 0.96 1c0pA1 ARG 1066 HB3 -2.06 0.01 -0.06 -0.04 1.80 -0.36 1c0pA1 ARG 1066 HG2 -0.34 0.03 0.01 -0.04 1.67 1.32 1c0pA1 ARG 1066 HG3 -0.33 -0.02 0.04 -0.04 1.67 1.32 1c0pA1 ARG 1066 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.15 1c0pA1 ARG 1066 HD3 -0.08 0.05 0.01 -0.04 3.22 3.15 1c0pA1 GLN 1067 H -0.50 0.10 -0.31 -0.55 8.47 7.22 1c0pA1 GLN 1067 HA -0.04 0.02 0.37 -0.75 4.36 3.96 1c0pA1 GLN 1067 HB2 -0.19 0.15 0.06 -0.04 2.15 2.13 1c0pA1 GLN 1067 HB3 -0.02 -0.03 -0.04 -0.04 2.02 1.89 1c0pA1 GLN 1067 HG2 0.04 0.00 -0.02 -0.04 2.40 2.38 1c0pA1 GLN 1067 HG3 0.12 -0.00 -0.02 -0.04 2.39 2.44 1c0pA1 GLN 1067 HE21 -0.08 0.11 0.03 -0.04 6.97 7.00 1c0pA1 GLN 1067 HE22 0.01 -0.02 0.00 -0.04 7.69 7.64 1c0pA1 ALA 1068 H -0.42 0.56 -0.24 -0.55 8.40 7.75 1c0pA1 ALA 1068 HA -0.23 -0.01 0.45 -0.75 4.34 3.79 1c0pA1 ALA 1068 HB3 -1.25 0.04 0.05 -0.04 1.41 0.21 1c0pA1 LYS 1069 H -0.35 0.51 -0.08 -0.55 8.42 7.95 1c0pA1 LYS 1069 HA -0.02 0.02 0.42 -0.75 4.32 3.99 1c0pA1 LYS 1069 HB2 -0.20 0.05 0.14 -0.04 1.87 1.82 1c0pA1 LYS 1069 HB3 -0.37 0.09 0.16 -0.04 1.79 1.63 1c0pA1 LYS 1069 HG2 0.12 -0.04 -0.19 -0.04 1.46 1.31 1c0pA1 LYS 1069 HG3 0.02 -0.01 0.03 -0.04 1.46 1.45 1c0pA1 LYS 1069 HD2 0.05 0.01 -0.03 -0.04 1.69 1.67 1c0pA1 LYS 1069 HD3 -0.07 0.00 -0.02 -0.04 1.68 1.55 1c0pA1 LYS 1069 HE2 -0.19 -0.00 -0.02 -0.04 2.99 2.74 1c0pA1 LYS 1069 HE3 0.27 -0.00 -0.09 -0.04 2.99 3.13 1c0pA1 TRP 1070 H -0.15 0.70 -0.15 -0.55 7.97 7.83 1c0pA1 TRP 1070 HA 0.07 -0.05 0.38 -0.75 4.62 4.28 1c0pA1 TRP 1070 HB2 0.05 0.10 0.14 -0.04 3.23 3.47 1c0pA1 TRP 1070 HB3 0.06 0.02 0.09 -0.04 3.23 3.35 1c0pA1 TRP 1070 HD1 0.03 -0.02 -0.28 -0.04 7.22 6.91 1c0pA1 TRP 1070 HE1 0.02 0.03 -0.10 -0.04 10.20 10.12 1c0pA1 TRP 1070 HE3 0.17 -0.02 -0.13 -0.04 7.59 7.57 1c0pA1 TRP 1070 HZ2 0.03 0.06 -0.08 -0.04 7.44 7.42 1c0pA1 TRP 1070 HZ3 0.07 -0.01 -0.16 -0.04 7.13 6.98 1c0pA1 TRP 1070 HH2 -0.03 0.07 -0.19 -0.04 7.19 7.00 1c0pA1 GLU 1071 H 0.24 0.63 -0.09 -0.55 8.60 8.84 1c0pA1 GLU 1071 HA 0.32 0.33 0.60 -0.75 4.29 4.79 1c0pA1 GLU 1071 HB2 0.28 0.07 0.18 -0.04 2.09 2.59 1c0pA1 GLU 1071 HB3 -0.10 -0.06 -0.02 -0.04 1.99 1.77 1c0pA1 GLU 1071 HG2 -0.40 -0.05 -0.15 -0.04 2.34 1.70 1c0pA1 GLU 1071 HG3 0.06 -0.00 -0.06 -0.04 2.34 2.30 1c0pA1 GLU 1072 H 0.40 0.70 -0.06 -0.55 8.60 9.09 1c0pA1 GLU 1072 HA 0.37 -0.00 0.44 -0.75 4.29 4.35 1c0pA1 GLU 1072 HB2 0.43 0.02 0.12 -0.04 2.09 2.61 1c0pA1 GLU 1072 HB3 0.23 0.08 0.15 -0.04 1.99 2.41 1c0pA1 GLU 1072 HG2 0.16 0.00 -0.11 -0.04 2.34 2.35 1c0pA1 GLU 1072 HG3 0.16 -0.03 0.06 -0.04 2.34 2.49 1c0pA1 SER 1073 H 0.26 0.53 -0.16 -0.55 8.46 8.54 1c0pA1 SER 1073 HA 0.19 0.06 0.42 -0.75 4.49 4.40 1c0pA1 SER 1073 HB2 0.22 0.05 0.09 -0.04 3.95 4.26 1c0pA1 SER 1073 HB3 0.28 -0.01 0.16 -0.04 3.93 4.31 1c0pA1 THR 1074 H 0.24 0.58 -0.11 -0.55 8.28 8.44 1c0pA1 THR 1074 HA 0.01 -0.06 0.41 -0.75 4.39 4.00 1c0pA1 THR 1074 HB 0.02 0.34 0.18 -0.04 4.32 4.82 1c0pA1 THR 1074 HG23 -0.84 -0.00 -0.08 -0.04 1.22 0.26 1c0pA1 PHE 1075 H 0.16 0.66 -0.13 -0.55 8.34 8.47 1c0pA1 PHE 1075 HA -0.58 -0.03 0.46 -0.75 4.62 3.72 1c0pA1 PHE 1075 HB2 -1.01 0.07 0.12 -0.04 3.15 2.28 1c0pA1 PHE 1075 HB3 -0.38 0.11 0.08 -0.04 3.06 2.83 1c0pA1 PHE 1075 HD2 -1.57 -0.02 -0.10 -0.04 7.28 5.55 1c0pA1 PHE 1075 HE2 -0.21 -0.02 0.04 -0.04 7.38 7.16 1c0pA1 PHE 1075 HZ 0.11 0.14 0.03 -0.04 7.32 7.56 1c0pA1 LYS 1076 H 0.08 0.44 -0.21 -0.55 8.42 8.17 1c0pA1 LYS 1076 HA 0.04 0.02 0.44 -0.75 4.32 4.08 1c0pA1 LYS 1076 HB2 0.08 0.17 0.16 -0.04 1.87 2.23 1c0pA1 LYS 1076 HB3 0.05 -0.04 0.00 -0.04 1.79 1.76 1c0pA1 LYS 1076 HG2 0.09 -0.03 0.05 -0.04 1.46 1.53 1c0pA1 LYS 1076 HG3 0.11 0.16 0.11 -0.04 1.46 1.80 1c0pA1 LYS 1076 HD2 0.11 -0.02 0.01 -0.04 1.69 1.75 1c0pA1 LYS 1076 HD3 0.08 -0.03 -0.00 -0.04 1.68 1.69 1c0pA1 LYS 1076 HE2 0.08 -0.00 -0.01 -0.04 2.99 3.01 1c0pA1 LYS 1076 HE3 0.10 0.06 -0.05 -0.04 2.99 3.06 1c0pA1 LYS 1077 H -0.09 0.41 -0.17 -0.55 8.42 8.01 1c0pA1 LYS 1077 HA -0.21 0.04 0.48 -0.75 4.32 3.88 1c0pA1 LYS 1077 HB2 -0.67 0.00 0.07 -0.04 1.87 1.23 1c0pA1 LYS 1077 HB3 -0.29 0.09 0.13 -0.04 1.79 1.68 1c0pA1 LYS 1077 HG2 -1.20 -0.08 -0.07 -0.04 1.46 0.07 1c0pA1 LYS 1077 HG3 -0.21 0.00 -0.29 -0.04 1.46 0.93 1c0pA1 LYS 1077 HD2 -0.46 0.00 0.01 -0.04 1.69 1.20 1c0pA1 LYS 1077 HD3 -1.30 0.01 -0.03 -0.04 1.68 0.32 1c0pA1 LYS 1077 HE2 -1.88 -0.03 -0.07 -0.04 2.99 0.98 1c0pA1 LYS 1077 HE3 -0.42 -0.01 -0.09 -0.04 2.99 2.42 1c0pA1 TRP 1078 H -0.09 0.65 -0.09 -0.55 7.97 7.89 1c0pA1 TRP 1078 HA -0.23 -0.00 0.42 -0.75 4.62 4.05 1c0pA1 TRP 1078 HB2 -0.50 0.11 0.09 -0.04 3.23 2.89 1c0pA1 TRP 1078 HB3 -0.45 -0.06 -0.09 -0.04 3.23 2.59 1c0pA1 TRP 1078 HD1 -0.09 -0.04 -0.23 -0.04 7.22 6.82 1c0pA1 TRP 1078 HE1 0.02 -0.06 -0.09 -0.04 10.20 10.02 1c0pA1 TRP 1078 HE3 -0.25 -0.01 -0.23 -0.04 7.59 7.06 1c0pA1 TRP 1078 HZ2 -0.06 -0.06 -0.22 -0.04 7.44 7.06 1c0pA1 TRP 1078 HZ3 0.08 0.02 -0.37 -0.04 7.13 6.82 1c0pA1 TRP 1078 HH2 0.05 -0.13 -0.42 -0.04 7.19 6.66 1c0pA1 VAL 1079 H -0.24 0.63 -0.18 -0.55 8.24 7.90 1c0pA1 VAL 1079 HA -0.38 -0.01 0.40 -0.75 4.13 3.39 1c0pA1 VAL 1079 HB -0.05 0.17 0.15 -0.04 2.12 2.35 1c0pA1 VAL 1079 HG13 0.12 -0.02 -0.06 -0.04 0.97 0.96 1c0pA1 VAL 1079 HG23 -0.20 0.05 0.02 -0.04 0.95 0.78 1c0pA1 GLU 1080 H -0.08 0.40 -0.35 -0.55 8.60 8.02 1c0pA1 GLU 1080 HA -0.03 0.01 0.32 -0.75 4.29 3.84 1c0pA1 GLU 1080 HB2 -0.08 0.20 0.12 -0.04 2.09 2.29 1c0pA1 GLU 1080 HB3 -0.04 -0.07 0.08 -0.04 1.99 1.92 1c0pA1 GLU 1080 HG2 -0.01 -0.06 0.04 -0.04 2.34 2.27 1c0pA1 GLU 1080 HG3 -0.03 0.21 0.11 -0.04 2.34 2.58 1c0pA1 LEU 1081 H -0.10 0.37 -0.53 -0.55 8.37 7.57 1c0pA1 LEU 1081 HA -0.07 0.08 0.65 -0.75 4.35 4.25 1c0pA1 LEU 1081 HB2 -0.14 0.15 0.01 -0.04 1.64 1.62 1c0pA1 LEU 1081 HB3 -0.13 -0.19 -0.01 -0.04 1.64 1.26 1c0pA1 LEU 1081 HG -0.06 0.22 -0.09 -0.04 1.64 1.67 1c0pA1 LEU 1081 HD13 0.07 -0.03 -0.13 -0.04 0.93 0.80 1c0pA1 LEU 1081 HD23 -0.11 0.00 -0.08 -0.04 0.89 0.65 1c0pA1 VAL 1082 H -0.14 0.49 -0.24 -0.55 8.24 7.81 1c0pA1 VAL 1082 HA -0.18 0.17 0.52 -0.75 4.13 3.88 1c0pA1 VAL 1082 HB -0.04 0.14 0.15 -0.04 2.12 2.33 1c0pA1 VAL 1082 HG13 0.08 -0.02 -0.06 -0.04 0.97 0.93 1c0pA1 VAL 1082 HG23 -0.57 0.03 -0.11 -0.04 0.95 0.26 1c0pA1 PRO 1083 HA -0.02 0.06 0.43 -0.51 4.44 4.40 1c0pA1 PRO 1083 HB2 -0.01 0.04 0.00 -0.04 2.28 2.26 1c0pA1 PRO 1083 HB3 -0.00 -0.01 0.07 -0.04 2.02 2.04 1c0pA1 PRO 1083 HG2 0.01 0.05 0.06 -0.04 2.03 2.10 1c0pA1 PRO 1083 HG3 0.02 -0.00 0.06 -0.04 2.03 2.06 1c0pA1 PRO 1083 HD2 -0.03 0.30 -0.17 -0.04 3.68 3.74 1c0pA1 PRO 1083 HD3 -0.02 0.17 0.10 -0.04 3.65 3.87 1c0pA1 THR 1084 H -0.06 0.18 -0.40 -0.55 8.28 7.45 1c0pA1 THR 1084 HA -0.08 0.20 0.85 -0.75 4.39 4.61 1c0pA1 THR 1084 HB -0.02 -0.02 0.17 -0.04 4.32 4.40 1c0pA1 THR 1084 HG23 0.00 -0.00 -0.03 -0.04 1.22 1.15 1c0pA1 GLY 1085 H -0.16 0.49 -0.21 -0.55 8.43 8.01 1c0pA1 GLY 1085 HA2 -0.18 0.09 0.36 -0.51 4.01 3.77 1c0pA1 GLY 1085 HA3 -0.26 0.03 0.39 -0.51 4.01 3.66 1c0pA1 HIS 1086 H -0.27 0.27 -0.13 -0.55 8.41 7.74 1c0pA1 HIS 1086 HA -0.23 0.08 0.65 -0.75 4.63 4.38 1c0pA1 HIS 1086 HB2 -0.43 0.02 0.05 -0.04 3.26 2.87 1c0pA1 HIS 1086 HB3 -0.41 -0.09 0.09 -0.04 3.20 2.74 1c0pA1 HIS 1086 HD2 -0.26 -0.05 -0.03 -0.04 6.97 6.58 1c0pA1 HIS 1086 HE1 -0.13 -0.01 -0.00 -0.04 7.75 7.56 1c0pA1 ALA 1087 H -0.23 0.29 -0.17 -0.55 8.40 7.74 1c0pA1 ALA 1087 HA -0.42 0.25 0.71 -0.75 4.34 4.12 1c0pA1 ALA 1087 HB3 -0.47 -0.02 -0.08 -0.04 1.41 0.79 1c0pA1 MET 1088 H -0.33 0.57 0.31 -0.55 8.47 8.47 1c0pA1 MET 1088 HA -0.16 0.15 0.94 -0.75 4.52 4.70 1c0pA1 MET 1088 HB2 -0.12 0.00 -0.19 -0.04 2.15 1.80 1c0pA1 MET 1088 HB3 -0.12 -0.01 -0.05 -0.04 2.03 1.81 1c0pA1 MET 1088 HG2 0.01 0.27 -0.23 -0.04 2.63 2.64 1c0pA1 MET 1088 HG3 -0.01 -0.04 0.02 -0.04 2.56 2.49 1c0pA1 MET 1088 HE3 -0.04 0.01 -0.44 -0.04 2.10 1.60 1c0pA1 TRP 1089 H 0.10 0.13 0.16 -0.55 7.97 7.81 1c0pA1 TRP 1089 HA -0.03 0.18 0.72 -0.75 4.62 4.73 1c0pA1 TRP 1089 HB2 -0.02 -0.02 0.14 -0.04 3.23 3.28 1c0pA1 TRP 1089 HB3 -0.00 -0.02 -0.06 -0.04 3.23 3.11 1c0pA1 TRP 1089 HD1 -0.04 0.00 0.05 -0.04 7.22 7.19 1c0pA1 TRP 1089 HE1 -0.04 0.01 0.00 -0.04 10.20 10.14 1c0pA1 TRP 1089 HE3 0.05 0.14 -0.10 -0.04 7.59 7.64 1c0pA1 TRP 1089 HZ2 -0.01 -0.01 -0.00 -0.04 7.44 7.38 1c0pA1 TRP 1089 HZ3 0.23 0.15 -0.18 -0.04 7.13 7.28 1c0pA1 TRP 1089 HH2 0.16 0.05 0.00 -0.04 7.19 7.36 1c0pA1 LEU 1090 H 0.30 0.77 0.23 -0.55 8.37 9.12 1c0pA1 LEU 1090 HA 0.11 0.26 0.80 -0.75 4.35 4.76 1c0pA1 LEU 1090 HB2 0.17 -0.14 0.03 -0.04 1.64 1.65 1c0pA1 LEU 1090 HB3 0.09 -0.01 0.09 -0.04 1.64 1.76 1c0pA1 LEU 1090 HG 0.05 -0.00 -0.32 -0.04 1.64 1.32 1c0pA1 LEU 1090 HD13 0.06 -0.00 -0.16 -0.04 0.93 0.78 1c0pA1 LEU 1090 HD23 0.03 0.08 -0.14 -0.04 0.89 0.82 1c0pA1 LYS 1091 H 0.11 0.24 -0.05 -0.55 8.42 8.17 1c0pA1 LYS 1091 HA 0.08 -0.01 0.59 -0.75 4.32 4.22 1c0pA1 LYS 1091 HB2 0.01 0.04 0.06 -0.04 1.87 1.94 1c0pA1 LYS 1091 HB3 -0.03 0.01 -0.02 -0.04 1.79 1.71 1c0pA1 LYS 1091 HG2 -0.14 -0.00 -0.01 -0.04 1.46 1.27 1c0pA1 LYS 1091 HG3 0.08 -0.03 -0.08 -0.04 1.46 1.39 1c0pA1 LYS 1091 HD2 -0.04 0.02 -0.01 -0.04 1.69 1.62 1c0pA1 LYS 1091 HD3 -0.13 -0.00 -0.01 -0.04 1.68 1.49 1c0pA1 LYS 1091 HE2 -0.44 -0.00 -0.01 -0.04 2.99 2.49 1c0pA1 LYS 1091 HE3 -0.08 -0.00 -0.00 -0.04 2.99 2.87 1c0pA1 GLY 1092 H 0.00 0.11 0.06 -0.55 8.43 8.05 1c0pA1 GLY 1092 HA2 -0.06 0.01 0.29 -0.51 4.01 3.74 1c0pA1 GLY 1092 HA3 -0.04 -0.00 0.39 -0.51 4.01 3.85 1c0pA1 THR 1093 H -0.07 0.26 -0.01 -0.55 8.28 7.91 1c0pA1 THR 1093 HA -0.12 0.20 0.68 -0.75 4.39 4.39 1c0pA1 THR 1093 HB -0.43 0.05 0.13 -0.04 4.32 4.03 1c0pA1 THR 1093 HG23 -0.19 -0.03 -0.21 -0.04 1.22 0.75 1c0pA1 ARG 1094 H -0.21 0.59 0.46 -0.55 8.46 8.75 1c0pA1 ARG 1094 HA -0.35 0.25 1.11 -0.75 4.34 4.59 1c0pA1 ARG 1094 HB2 -0.30 -0.06 0.22 -0.04 1.90 1.71 1c0pA1 ARG 1094 HB3 -0.62 -0.00 0.04 -0.04 1.80 1.17 1c0pA1 ARG 1094 HG2 -0.05 -0.02 0.01 -0.04 1.67 1.58 1c0pA1 ARG 1094 HG3 -0.14 0.09 -0.22 -0.04 1.67 1.35 1c0pA1 ARG 1094 HD2 0.01 -0.05 0.01 -0.04 3.22 3.15 1c0pA1 ARG 1094 HD3 -0.05 0.16 0.05 -0.04 3.22 3.34 1c0pA1 ARG 1095 H -0.37 0.75 0.36 -0.55 8.46 8.65 1c0pA1 ARG 1095 HA -0.24 0.26 1.08 -0.75 4.34 4.68 1c0pA1 ARG 1095 HB2 0.06 -0.01 -0.09 -0.04 1.90 1.81 1c0pA1 ARG 1095 HB3 0.08 -0.07 0.10 -0.04 1.80 1.88 1c0pA1 ARG 1095 HG2 0.09 -0.03 -0.32 -0.04 1.67 1.38 1c0pA1 ARG 1095 HG3 0.08 0.05 0.03 -0.04 1.67 1.79 1c0pA1 ARG 1095 HD2 0.30 -0.02 -0.08 -0.04 3.22 3.38 1c0pA1 ARG 1095 HD3 0.26 -0.07 -0.10 -0.04 3.22 3.27 1c0pA1 PHE 1096 H -0.08 0.65 0.45 -0.55 8.34 8.81 1c0pA1 PHE 1096 HA 0.06 0.35 1.14 -0.75 4.62 5.42 1c0pA1 PHE 1096 HB2 0.08 -0.19 0.20 -0.04 3.15 3.19 1c0pA1 PHE 1096 HB3 0.06 0.05 0.09 -0.04 3.06 3.21 1c0pA1 PHE 1096 HD2 0.05 -0.03 -0.13 -0.04 7.28 7.13 1c0pA1 PHE 1096 HE2 0.03 0.06 -0.09 -0.04 7.38 7.34 1c0pA1 PHE 1096 HZ 0.01 0.13 0.02 -0.04 7.32 7.44 1c0pA1 ALA 1097 H 0.21 0.73 0.35 -0.55 8.40 9.14 1c0pA1 ALA 1097 HA 0.13 0.15 0.66 -0.75 4.34 4.53 1c0pA1 ALA 1097 HB3 0.10 -0.00 -0.11 -0.04 1.41 1.35 1c0pA1 GLN 1098 H 0.08 0.18 0.14 -0.55 8.47 8.33 1c0pA1 GLN 1098 HA 0.06 0.22 0.63 -0.75 4.36 4.51 1c0pA1 GLN 1098 HB2 0.05 -0.11 0.14 -0.04 2.15 2.18 1c0pA1 GLN 1098 HB3 0.04 0.01 0.11 -0.04 2.02 2.14 1c0pA1 GLN 1098 HG2 0.05 0.35 0.08 -0.04 2.40 2.84 1c0pA1 GLN 1098 HG3 0.06 0.11 0.15 -0.04 2.39 2.67 1c0pA1 GLN 1098 HE21 0.03 -0.05 0.00 -0.04 6.97 6.91 1c0pA1 GLN 1098 HE22 0.04 0.10 0.03 -0.04 7.69 7.82 1c0pA1 ASN 1099 H 0.06 0.12 -0.06 -0.55 8.53 8.10 1c0pA1 ASN 1099 HA 0.05 0.23 0.50 -0.75 4.76 4.78 1c0pA1 ASN 1099 HB2 0.04 -0.10 0.14 -0.04 2.88 2.92 1c0pA1 ASN 1099 HB3 0.03 0.30 -0.16 -0.04 2.79 2.92 1c0pA1 ASN 1099 HD21 0.03 0.03 -0.06 -0.04 7.03 6.99 1c0pA1 ASN 1099 HD22 0.03 0.14 -0.11 -0.04 7.74 7.76 1c0pA1 GLU 1100 H 0.05 0.25 0.13 -0.55 8.60 8.48 1c0pA1 GLU 1100 HA 0.06 0.13 0.32 -0.75 4.29 4.05 1c0pA1 GLU 1100 HB2 0.07 0.09 0.11 -0.04 2.09 2.32 1c0pA1 GLU 1100 HB3 0.05 -0.01 0.12 -0.04 1.99 2.11 1c0pA1 GLU 1100 HG2 0.08 0.05 -0.02 -0.04 2.34 2.41 1c0pA1 GLU 1100 HG3 0.07 -0.06 -0.17 -0.04 2.34 2.14 1c0pA1 ASP 1101 H 0.03 0.11 -0.23 -0.55 8.40 7.77 1c0pA1 ASP 1101 HA 0.02 0.04 0.35 -0.75 4.63 4.28 1c0pA1 ASP 1101 HB2 0.03 -0.01 0.03 -0.04 2.71 2.72 1c0pA1 ASP 1101 HB3 0.03 0.06 -0.02 -0.04 2.70 2.72 1c0pA1 GLY 1102 H 0.04 0.28 -0.44 -0.55 8.43 7.76 1c0pA1 GLY 1102 HA2 0.05 0.08 0.31 -0.51 4.01 3.93 1c0pA1 GLY 1102 HA3 0.06 -0.04 0.31 -0.51 4.01 3.83 1c0pA1 LEU 1103 H -0.01 0.47 -0.56 -0.55 8.37 7.72 1c0pA1 LEU 1103 HA 0.02 0.23 0.69 -0.75 4.35 4.54 1c0pA1 LEU 1103 HB2 -0.22 0.08 0.05 -0.04 1.64 1.51 1c0pA1 LEU 1103 HB3 -0.29 -0.04 0.07 -0.04 1.64 1.34 1c0pA1 LEU 1103 HG 0.05 -0.02 -0.23 -0.04 1.64 1.39 1c0pA1 LEU 1103 HD13 0.16 -0.01 -0.17 -0.04 0.93 0.87 1c0pA1 LEU 1103 HD23 0.10 0.05 -0.22 -0.04 0.89 0.78 1c0pA1 LEU 1104 H 0.00 0.52 -0.14 -0.55 8.37 8.21 1c0pA1 LEU 1104 HA 0.08 0.04 0.19 -0.75 4.35 3.90 1c0pA1 LEU 1104 HB2 0.17 0.12 -0.42 -0.04 1.64 1.46 1c0pA1 LEU 1104 HB3 0.29 -0.04 -0.25 -0.04 1.64 1.60 1c0pA1 LEU 1104 HG 0.09 0.15 -0.54 -0.04 1.64 1.30 1c0pA1 LEU 1104 HD13 0.14 0.00 -0.41 -0.04 0.93 0.62 1c0pA1 LEU 1104 HD23 0.10 -0.01 -0.23 -0.04 0.89 0.70 1c0pA1 GLY 1105 H -0.07 0.14 -0.23 -0.55 8.43 7.73 1c0pA1 GLY 1105 HA2 0.06 0.04 0.24 -0.51 4.01 3.84 1c0pA1 GLY 1105 HA3 0.08 0.02 0.46 -0.51 4.01 4.05 1c0pA1 HIS 1106 H -0.27 0.50 -0.40 -0.55 8.41 7.70 1c0pA1 HIS 1106 HA -0.37 0.10 0.23 -0.75 4.63 3.84 1c0pA1 HIS 1106 HB2 -0.13 0.18 -0.17 -0.04 3.26 3.10 1c0pA1 HIS 1106 HB3 -0.39 -0.01 0.10 -0.04 3.20 2.86 1c0pA1 HIS 1106 HD2 0.02 -0.02 -0.27 -0.04 6.97 6.65 1c0pA1 HIS 1106 HE1 0.10 0.03 -0.07 -0.04 7.75 7.76 1c0pA1 TRP 1107 H 0.01 0.24 -0.22 -0.55 7.97 7.46 1c0pA1 TRP 1107 HA -0.08 0.15 -0.01 -0.75 4.62 3.92 1c0pA1 TRP 1107 HB2 -0.01 -0.02 0.07 -0.04 3.23 3.22 1c0pA1 TRP 1107 HB3 -0.02 0.02 0.09 -0.04 3.23 3.28 1c0pA1 TRP 1107 HD1 0.03 0.15 0.10 -0.04 7.22 7.47 1c0pA1 TRP 1107 HE1 -0.06 0.05 -0.00 -0.04 10.20 10.15 1c0pA1 TRP 1107 HE3 0.04 0.01 -0.32 -0.04 7.59 7.29 1c0pA1 TRP 1107 HZ2 -0.26 -0.06 -0.04 -0.04 7.44 7.04 1c0pA1 TRP 1107 HZ3 0.12 0.03 -0.05 -0.04 7.13 7.18 1c0pA1 TRP 1107 HH2 0.07 0.04 0.03 -0.04 7.19 7.29 1c0pA1 TYR 1108 H -1.08 0.09 -0.35 -0.55 8.29 6.40 1c0pA1 TYR 1108 HA -0.48 0.11 0.52 -0.75 4.56 3.97 1c0pA1 TYR 1108 HB2 -0.48 -0.01 0.15 -0.04 3.06 2.68 1c0pA1 TYR 1108 HB3 -2.42 -0.01 0.01 -0.04 2.98 0.53 1c0pA1 TYR 1108 HD2 -1.04 -0.06 -0.07 -0.04 7.15 5.94 1c0pA1 TYR 1108 HE2 -0.62 0.06 -0.12 -0.04 6.85 6.12 1c0pA1 LYS 1109 H -0.57 0.50 -0.38 -0.55 8.42 7.42 1c0pA1 LYS 1109 HA -0.81 0.08 0.23 -0.75 4.32 3.07 1c0pA1 LYS 1109 HB2 -0.62 0.02 0.08 -0.04 1.87 1.32 1c0pA1 LYS 1109 HB3 -1.24 0.01 0.08 -0.04 1.79 0.60 1c0pA1 LYS 1109 HG2 -0.28 0.12 0.02 -0.04 1.46 1.28 1c0pA1 LYS 1109 HG3 -0.21 -0.03 -0.21 -0.04 1.46 0.97 1c0pA1 LYS 1109 HD2 -0.17 -0.02 -0.03 -0.04 1.69 1.43 1c0pA1 LYS 1109 HD3 -0.33 -0.03 0.01 -0.04 1.68 1.30 1c0pA1 LYS 1109 HE2 -0.10 0.10 -0.01 -0.04 2.99 2.94 1c0pA1 LYS 1109 HE3 -0.09 -0.05 -0.02 -0.04 2.99 2.79 1c0pA1 ASP 1110 H -0.16 0.09 -0.36 -0.55 8.40 7.43 1c0pA1 ASP 1110 HA -0.08 0.19 0.78 -0.75 4.63 4.77 1c0pA1 ASP 1110 HB2 -0.02 -0.01 0.00 -0.04 2.71 2.64 1c0pA1 ASP 1110 HB3 -0.03 0.01 0.10 -0.04 2.70 2.75 1c0pA1 ILE 1111 H -0.18 0.40 -0.16 -0.55 8.25 7.76 1c0pA1 ILE 1111 HA -0.22 0.15 0.77 -0.75 4.18 4.13 1c0pA1 ILE 1111 HB -0.33 0.06 0.19 -0.04 1.89 1.76 1c0pA1 ILE 1111 HG12 -0.05 0.03 -0.03 -0.04 1.49 1.40 1c0pA1 ILE 1111 HG13 -0.03 -0.11 -0.14 -0.04 1.21 0.89 1c0pA1 ILE 1111 HG23 -1.31 -0.00 -0.09 -0.04 0.93 -0.51 1c0pA1 ILE 1111 HD13 0.25 -0.03 0.01 -0.04 0.88 1.07 1c0pA1 THR 1112 H -0.24 0.25 0.13 -0.55 8.28 7.87 1c0pA1 THR 1112 HA -0.10 0.20 0.73 -0.75 4.39 4.47 1c0pA1 THR 1112 HB 0.27 0.09 -0.04 -0.04 4.32 4.60 1c0pA1 THR 1112 HG23 -0.10 -0.03 0.01 -0.04 1.22 1.06 1c0pA1 PRO 1113 HA 0.03 0.04 0.40 -0.51 4.44 4.41 1c0pA1 PRO 1113 HB2 -0.08 -0.05 0.04 -0.04 2.28 2.14 1c0pA1 PRO 1113 HB3 -0.06 -0.01 0.11 -0.04 2.02 2.02 1c0pA1 PRO 1113 HG2 -0.15 -0.01 0.09 -0.04 2.03 1.92 1c0pA1 PRO 1113 HG3 0.09 0.08 0.09 -0.04 2.03 2.24 1c0pA1 PRO 1113 HD2 0.44 0.19 0.30 -0.04 3.68 4.56 1c0pA1 PRO 1113 HD3 0.37 0.30 0.39 -0.04 3.65 4.67 1c0pA1 ASN 1114 H 0.03 0.13 0.21 -0.55 8.53 8.35 1c0pA1 ASN 1114 HA 0.03 0.03 0.34 -0.75 4.76 4.40 1c0pA1 ASN 1114 HB2 0.01 0.06 -0.20 -0.04 2.88 2.71 1c0pA1 ASN 1114 HB3 0.00 0.02 0.14 -0.04 2.79 2.91 1c0pA1 ASN 1114 HD21 -0.10 0.01 -0.04 -0.04 7.03 6.86 1c0pA1 ASN 1114 HD22 -0.09 0.00 -0.15 -0.04 7.74 7.47 1c0pA1 TYR 1115 H 0.18 0.13 -0.07 -0.55 8.29 7.97 1c0pA1 TYR 1115 HA 0.13 0.36 0.85 -0.75 4.56 5.15 1c0pA1 TYR 1115 HB2 -0.01 0.15 0.11 -0.04 3.06 3.28 1c0pA1 TYR 1115 HB3 -0.04 -0.01 0.18 -0.04 2.98 3.07 1c0pA1 TYR 1115 HD2 -0.12 0.01 -0.23 -0.04 7.15 6.77 1c0pA1 TYR 1115 HE2 -0.33 -0.05 -0.13 -0.04 6.85 6.31 1c0pA1 ARG 1116 H -0.26 0.61 0.46 -0.55 8.46 8.72 1c0pA1 ARG 1116 HA 0.04 0.03 0.63 -0.75 4.34 4.29 1c0pA1 ARG 1116 HB2 -0.01 -0.01 0.11 -0.04 1.90 1.96 1c0pA1 ARG 1116 HB3 0.01 0.04 -0.23 -0.04 1.80 1.59 1c0pA1 ARG 1116 HG2 -0.04 0.13 -0.03 -0.04 1.67 1.68 1c0pA1 ARG 1116 HG3 -0.04 0.09 -0.18 -0.04 1.67 1.50 1c0pA1 ARG 1116 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.12 1c0pA1 ARG 1116 HD3 -0.01 -0.05 -0.09 -0.04 3.22 3.04 1c0pA1 PRO 1117 HA -0.01 0.11 0.77 -0.51 4.44 4.79 1c0pA1 PRO 1117 HB2 0.01 -0.00 -0.10 -0.04 2.28 2.14 1c0pA1 PRO 1117 HB3 0.03 0.03 0.14 -0.04 2.02 2.17 1c0pA1 PRO 1117 HG2 -0.01 0.00 0.08 -0.04 2.03 2.07 1c0pA1 PRO 1117 HG3 -0.01 0.00 0.10 -0.04 2.03 2.08 1c0pA1 PRO 1117 HD2 -0.01 0.10 0.23 -0.04 3.68 3.97 1c0pA1 PRO 1117 HD3 0.01 0.12 0.22 -0.04 3.65 3.95 1c0pA1 LEU 1118 H 0.03 0.60 0.19 -0.55 8.37 8.63 1c0pA1 LEU 1118 HA 0.02 0.17 0.76 -0.75 4.35 4.54 1c0pA1 LEU 1118 HB2 0.10 -0.10 -0.18 -0.04 1.64 1.43 1c0pA1 LEU 1118 HB3 0.10 0.11 -0.16 -0.04 1.64 1.64 1c0pA1 LEU 1118 HG -0.02 -0.12 -0.44 -0.04 1.64 1.02 1c0pA1 LEU 1118 HD13 0.08 0.03 -0.15 -0.04 0.93 0.85 1c0pA1 LEU 1118 HD23 0.01 0.02 -0.05 -0.04 0.89 0.82 1c0pA1 PRO 1119 HA 0.02 0.08 0.60 -0.51 4.44 4.64 1c0pA1 PRO 1119 HB2 0.02 -0.16 -0.10 -0.04 2.28 1.99 1c0pA1 PRO 1119 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 1c0pA1 PRO 1119 HG2 0.02 0.05 0.04 -0.04 2.03 2.09 1c0pA1 PRO 1119 HG3 0.01 0.07 0.06 -0.04 2.03 2.13 1c0pA1 PRO 1119 HD2 0.03 0.14 0.18 -0.04 3.68 3.99 1c0pA1 PRO 1119 HD3 0.01 0.24 0.13 -0.04 3.65 4.00 1c0pA1 SER 1120 H 0.02 0.13 0.17 -0.55 8.46 8.22 1c0pA1 SER 1120 HA 0.01 0.19 0.24 -0.75 4.49 4.18 1c0pA1 SER 1120 HB2 -0.00 0.03 0.05 -0.04 3.95 3.98 1c0pA1 SER 1120 HB3 0.01 0.07 0.12 -0.04 3.93 4.09 1c0pA1 SER 1121 H 0.01 -0.01 -0.32 -0.55 8.46 7.59 1c0pA1 SER 1121 HA -0.01 0.08 0.31 -0.75 4.49 4.12 1c0pA1 SER 1121 HB2 -0.00 0.04 0.05 -0.04 3.95 3.99 1c0pA1 SER 1121 HB3 0.00 -0.07 0.06 -0.04 3.93 3.88 1c0pA1 GLU 1122 H 0.02 0.35 -0.59 -0.55 8.60 7.84 1c0pA1 GLU 1122 HA 0.03 0.14 0.62 -0.75 4.29 4.33 1c0pA1 GLU 1122 HB2 0.07 0.07 -0.00 -0.04 2.09 2.18 1c0pA1 GLU 1122 HB3 0.09 0.01 0.10 -0.04 1.99 2.15 1c0pA1 GLU 1122 HG2 0.03 0.05 -0.07 -0.04 2.34 2.31 1c0pA1 GLU 1122 HG3 0.02 -0.15 -0.16 -0.04 2.34 2.01 1c0pA1 CYS 1123 H -0.05 0.49 -0.31 -0.55 8.50 8.07 1c0pA1 CYS 1123 HA -0.68 0.13 0.69 -0.75 4.58 3.96 1c0pA1 CYS 1123 HB2 -0.07 0.07 -0.06 -0.04 2.97 2.87 1c0pA1 CYS 1123 HB3 -0.20 -0.04 -0.21 -0.04 2.97 2.48 1c0pA1 PRO 1124 HA -0.17 0.11 0.40 -0.51 4.44 4.26 1c0pA1 PRO 1124 HB2 -0.14 -0.00 -0.08 -0.04 2.28 2.01 1c0pA1 PRO 1124 HB3 -0.13 0.03 0.05 -0.04 2.02 1.93 1c0pA1 PRO 1124 HG2 -0.24 -0.08 -0.01 -0.04 2.03 1.66 1c0pA1 PRO 1124 HG3 -0.33 0.10 -0.00 -0.04 2.03 1.77 1c0pA1 PRO 1124 HD2 -0.82 0.01 0.08 -0.04 3.68 2.91 1c0pA1 PRO 1124 HD3 -2.23 0.18 0.11 -0.04 3.65 1.68 1c0pA1 PRO 1125 HA -0.05 0.06 0.40 -0.51 4.44 4.34 1c0pA1 PRO 1125 HB2 -0.04 -0.01 0.05 -0.04 2.28 2.24 1c0pA1 PRO 1125 HB3 -0.03 -0.00 0.11 -0.04 2.02 2.05 1c0pA1 PRO 1125 HG2 -0.05 -0.00 0.09 -0.04 2.03 2.03 1c0pA1 PRO 1125 HG3 -0.04 0.06 0.10 -0.04 2.03 2.10 1c0pA1 PRO 1125 HD2 -0.08 0.06 0.18 -0.04 3.68 3.80 1c0pA1 PRO 1125 HD3 -0.08 0.19 0.20 -0.04 3.65 3.91 1c0pA1 GLY 1126 H -0.03 0.11 0.18 -0.55 8.43 8.15 1c0pA1 GLY 1126 HA2 -0.01 -0.06 0.38 -0.51 4.01 3.81 1c0pA1 GLY 1126 HA3 -0.01 0.07 0.43 -0.51 4.01 3.99 1c0pA1 ALA 1127 H -0.05 0.48 -0.52 -0.55 8.40 7.76 1c0pA1 ALA 1127 HA 0.02 0.17 0.75 -0.75 4.34 4.53 1c0pA1 ALA 1127 HB3 -0.04 0.00 -0.00 -0.04 1.41 1.33 1c0pA1 ILE 1128 H 0.09 0.47 0.23 -0.55 8.25 8.50 1c0pA1 ILE 1128 HA 0.08 0.20 0.82 -0.75 4.18 4.52 1c0pA1 ILE 1128 HB 0.06 0.05 -0.13 -0.04 1.89 1.82 1c0pA1 ILE 1128 HG12 0.11 0.05 -0.06 -0.04 1.49 1.55 1c0pA1 ILE 1128 HG13 0.08 0.06 0.06 -0.04 1.21 1.37 1c0pA1 ILE 1128 HG23 0.09 -0.01 -0.38 -0.04 0.93 0.59 1c0pA1 ILE 1128 HD13 0.09 -0.03 -0.11 -0.04 0.88 0.79 1c0pA1 GLY 1129 H 0.12 0.25 0.20 -0.55 8.43 8.45 1c0pA1 GLY 1129 HA2 0.19 0.31 1.13 -0.51 4.01 5.13 1c0pA1 GLY 1129 HA3 0.30 0.08 0.18 -0.51 4.01 4.05 1c0pA1 VAL 1130 H -0.00 0.64 0.43 -0.55 8.24 8.75 1c0pA1 VAL 1130 HA -0.07 0.08 0.87 -0.75 4.13 4.25 1c0pA1 VAL 1130 HB -0.47 0.11 0.08 -0.04 2.12 1.80 1c0pA1 VAL 1130 HG13 0.13 -0.04 -0.17 -0.04 0.97 0.84 1c0pA1 VAL 1130 HG23 0.12 -0.01 -0.08 -0.04 0.95 0.93 1c0pA1 THR 1131 H -0.21 0.69 0.39 -0.55 8.28 8.60 1c0pA1 THR 1131 HA -0.37 0.37 0.87 -0.75 4.39 4.50 1c0pA1 THR 1131 HB -0.13 -0.05 -0.04 -0.04 4.32 4.07 1c0pA1 THR 1131 HG23 -0.07 0.01 -0.04 -0.04 1.22 1.08 1c0pA1 TYR 1132 H -0.40 0.59 0.29 -0.55 8.29 8.22 1c0pA1 TYR 1132 HA 0.01 0.29 0.33 -0.75 4.56 4.43 1c0pA1 TYR 1132 HB2 0.19 0.05 -0.10 -0.04 3.06 3.16 1c0pA1 TYR 1132 HB3 0.03 0.02 -0.10 -0.04 2.98 2.90 1c0pA1 TYR 1132 HD2 -0.00 0.01 -0.54 -0.04 7.15 6.57 1c0pA1 TYR 1132 HE2 0.16 -0.01 -0.15 -0.04 6.85 6.80 1c0pA1 ASP 1133 H 0.29 0.67 0.11 -0.55 8.40 8.93 1c0pA1 ASP 1133 HA 0.22 0.17 1.08 -0.75 4.63 5.34 1c0pA1 ASP 1133 HB2 0.11 0.01 0.19 -0.04 2.71 2.99 1c0pA1 ASP 1133 HB3 0.15 0.01 0.01 -0.04 2.70 2.84 1c0pA1 THR 1134 H 0.37 0.49 0.29 -0.55 8.28 8.89 1c0pA1 THR 1134 HA 0.59 0.18 0.87 -0.75 4.39 5.28 1c0pA1 THR 1134 HB 0.68 0.00 -0.07 -0.04 4.32 4.89 1c0pA1 THR 1134 HG23 0.31 0.03 0.01 -0.04 1.22 1.54 1c0pA1 LEU 1135 H 0.24 0.16 0.27 -0.55 8.37 8.49 1c0pA1 LEU 1135 HA -0.17 0.34 1.04 -0.75 4.35 4.80 1c0pA1 LEU 1135 HB2 -0.18 -0.08 0.00 -0.04 1.64 1.34 1c0pA1 LEU 1135 HB3 -0.29 0.04 -0.06 -0.04 1.64 1.30 1c0pA1 LEU 1135 HG -1.08 -0.04 -0.46 -0.04 1.64 0.03 1c0pA1 LEU 1135 HD13 -1.49 -0.02 -0.15 -0.04 0.93 -0.78 1c0pA1 LEU 1135 HD23 -1.55 0.03 -0.27 -0.04 0.89 -0.94 1c0pA1 SER 1136 H -0.20 0.57 0.35 -0.55 8.46 8.63 1c0pA1 SER 1136 HA -0.11 0.13 0.89 -0.75 4.49 4.64 1c0pA1 SER 1136 HB2 -0.14 0.10 -0.03 -0.04 3.95 3.84 1c0pA1 SER 1136 HB3 -0.03 -0.10 -0.11 -0.04 3.93 3.66 1c0pA1 VAL 1137 H -0.51 0.63 0.37 -0.55 8.24 8.18 1c0pA1 VAL 1137 HA -0.44 0.26 0.87 -0.75 4.13 4.06 1c0pA1 VAL 1137 HB -0.51 0.07 0.13 -0.04 2.12 1.77 1c0pA1 VAL 1137 HG13 -1.89 0.02 -0.08 -0.04 0.97 -1.02 1c0pA1 VAL 1137 HG23 -0.83 -0.03 -0.16 -0.04 0.95 -0.11 1c0pA1 HIS 1138 H -0.06 0.26 0.12 -0.55 8.41 8.19 1c0pA1 HIS 1138 HA -0.15 0.21 0.71 -0.75 4.63 4.64 1c0pA1 HIS 1138 HB2 -0.11 0.11 0.13 -0.04 3.26 3.35 1c0pA1 HIS 1138 HB3 -0.07 -0.08 0.20 -0.04 3.20 3.20 1c0pA1 HIS 1138 HD2 -0.07 0.53 0.05 -0.04 6.97 7.43 1c0pA1 HIS 1138 HE1 -0.07 -0.01 -0.02 -0.04 7.75 7.61 1c0pA1 ALA 1139 H -0.29 0.38 -0.00 -0.55 8.40 7.93 1c0pA1 ALA 1139 HA -0.20 -0.07 0.08 -0.75 4.34 3.40 1c0pA1 ALA 1139 HB3 -0.38 0.07 -0.03 -0.04 1.41 1.03 1c0pA1 PRO 1140 HA 0.03 0.01 0.38 -0.51 4.44 4.35 1c0pA1 PRO 1140 HB2 0.02 0.03 -0.03 -0.04 2.28 2.27 1c0pA1 PRO 1140 HB3 -0.10 0.04 0.11 -0.04 2.02 2.02 1c0pA1 PRO 1140 HG2 0.21 0.02 0.04 -0.04 2.03 2.26 1c0pA1 PRO 1140 HG3 -0.13 0.22 0.12 -0.04 2.03 2.20 1c0pA1 PRO 1140 HD2 -0.11 0.02 -0.03 -0.04 3.68 3.52 1c0pA1 PRO 1140 HD3 -0.17 0.33 0.14 -0.04 3.65 3.91 1c0pA1 LYS 1141 H 0.28 0.19 -0.26 -0.55 8.42 8.07 1c0pA1 LYS 1141 HA 0.00 0.04 0.46 -0.75 4.32 4.06 1c0pA1 LYS 1141 HB2 -0.20 0.06 0.09 -0.04 1.87 1.77 1c0pA1 LYS 1141 HB3 -0.09 0.02 0.04 -0.04 1.79 1.72 1c0pA1 LYS 1141 HG2 -0.17 -0.01 0.00 -0.04 1.46 1.24 1c0pA1 LYS 1141 HG3 -0.35 -0.05 -0.02 -0.04 1.46 1.00 1c0pA1 LYS 1141 HD2 -1.18 0.05 -0.00 -0.04 1.69 0.52 1c0pA1 LYS 1141 HD3 -0.33 0.02 -0.01 -0.04 1.68 1.32 1c0pA1 LYS 1141 HE2 -0.36 -0.01 -0.02 -0.04 2.99 2.55 1c0pA1 LYS 1141 HE3 -0.31 0.06 -0.02 -0.04 2.99 2.68 1c0pA1 TYR 1142 H 0.24 0.69 -0.12 -0.55 8.29 8.55 1c0pA1 TYR 1142 HA 0.10 0.06 0.49 -0.75 4.56 4.46 1c0pA1 TYR 1142 HB2 -0.02 0.05 0.05 -0.04 3.06 3.10 1c0pA1 TYR 1142 HB3 0.17 0.07 0.08 -0.04 2.98 3.26 1c0pA1 TYR 1142 HD2 0.09 0.06 -0.07 -0.04 7.15 7.19 1c0pA1 TYR 1142 HE2 0.10 -0.01 -0.08 -0.04 6.85 6.82 1c0pA1 CYS 1143 H 0.26 0.55 -0.10 -0.55 8.50 8.66 1c0pA1 CYS 1143 HA 0.06 -0.02 0.43 -0.75 4.58 4.30 1c0pA1 CYS 1143 HB2 0.12 0.21 0.10 -0.04 2.97 3.36 1c0pA1 CYS 1143 HB3 0.11 -0.04 -0.05 -0.04 2.97 2.95 1c0pA1 GLN 1144 H 0.06 0.49 -0.22 -0.55 8.47 8.25 1c0pA1 GLN 1144 HA -0.03 -0.04 0.46 -0.75 4.36 4.00 1c0pA1 GLN 1144 HB2 0.01 0.12 0.15 -0.04 2.15 2.40 1c0pA1 GLN 1144 HB3 -0.02 -0.04 0.01 -0.04 2.02 1.93 1c0pA1 GLN 1144 HG2 -0.03 -0.14 -0.13 -0.04 2.40 2.06 1c0pA1 GLN 1144 HG3 0.01 0.15 0.04 -0.04 2.39 2.55 1c0pA1 GLN 1144 HE21 -0.02 -0.06 -0.05 -0.04 6.97 6.80 1c0pA1 GLN 1144 HE22 -0.01 0.35 -0.02 -0.04 7.69 7.97 1c0pA1 TYR 1145 H 0.08 0.59 -0.15 -0.55 8.29 8.26 1c0pA1 TYR 1145 HA -0.14 0.01 0.51 -0.75 4.56 4.19 1c0pA1 TYR 1145 HB2 -0.22 0.03 0.12 -0.04 3.06 2.95 1c0pA1 TYR 1145 HB3 -0.27 0.12 0.26 -0.04 2.98 3.05 1c0pA1 TYR 1145 HD2 -0.51 0.01 0.00 -0.04 7.15 6.61 1c0pA1 TYR 1145 HE2 -0.28 -0.00 -0.06 -0.04 6.85 6.47 1c0pA1 LEU 1146 H -0.20 0.60 -0.07 -0.55 8.37 8.15 1c0pA1 LEU 1146 HA -0.48 0.03 0.38 -0.75 4.35 3.53 1c0pA1 LEU 1146 HB2 -0.08 0.09 0.06 -0.04 1.64 1.67 1c0pA1 LEU 1146 HB3 -0.07 -0.03 -0.11 -0.04 1.64 1.39 1c0pA1 LEU 1146 HG -0.47 0.24 0.03 -0.04 1.64 1.40 1c0pA1 LEU 1146 HD13 0.04 -0.05 -0.13 -0.04 0.93 0.75 1c0pA1 LEU 1146 HD23 -0.14 -0.01 -0.06 -0.04 0.89 0.64 1c0pA1 ALA 1147 H -0.07 0.53 -0.28 -0.55 8.40 8.04 1c0pA1 ALA 1147 HA 0.18 0.00 0.51 -0.75 4.34 4.28 1c0pA1 ALA 1147 HB3 -0.13 0.01 0.08 -0.04 1.41 1.33 1c0pA1 ARG 1148 H -0.11 0.53 -0.11 -0.55 8.46 8.22 1c0pA1 ARG 1148 HA -0.04 0.01 0.51 -0.75 4.34 4.06 1c0pA1 ARG 1148 HB2 -0.11 0.13 0.18 -0.04 1.90 2.07 1c0pA1 ARG 1148 HB3 -0.05 -0.04 0.03 -0.04 1.80 1.70 1c0pA1 ARG 1148 HG2 -0.04 -0.06 0.04 -0.04 1.67 1.57 1c0pA1 ARG 1148 HG3 -0.04 0.18 0.07 -0.04 1.67 1.84 1c0pA1 ARG 1148 HD2 0.00 -0.02 0.00 -0.04 3.22 3.17 1c0pA1 ARG 1148 HD3 -0.00 -0.04 -0.02 -0.04 3.22 3.12 1c0pA1 GLU 1149 H -0.28 0.53 -0.14 -0.55 8.60 8.18 1c0pA1 GLU 1149 HA -0.11 0.01 0.45 -0.75 4.29 3.89 1c0pA1 GLU 1149 HB2 -0.29 0.10 0.15 -0.04 2.09 2.02 1c0pA1 GLU 1149 HB3 -0.15 -0.03 0.02 -0.04 1.99 1.78 1c0pA1 GLU 1149 HG2 -0.88 0.22 0.04 -0.04 2.34 1.68 1c0pA1 GLU 1149 HG3 -0.69 -0.05 -0.03 -0.04 2.34 1.52 1c0pA1 LEU 1150 H -0.05 0.54 -0.17 -0.55 8.37 8.15 1c0pA1 LEU 1150 HA -0.02 0.03 0.47 -0.75 4.35 4.07 1c0pA1 LEU 1150 HB2 0.15 0.09 0.16 -0.04 1.64 2.00 1c0pA1 LEU 1150 HB3 0.02 -0.04 -0.11 -0.04 1.64 1.46 1c0pA1 LEU 1150 HG -0.02 0.03 -0.02 -0.04 1.64 1.59 1c0pA1 LEU 1150 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 1c0pA1 LEU 1150 HD23 -0.09 -0.03 -0.27 -0.04 0.89 0.46 1c0pA1 GLN 1151 H 0.07 0.56 -0.12 -0.55 8.47 8.44 1c0pA1 GLN 1151 HA 0.10 0.16 0.47 -0.75 4.36 4.33 1c0pA1 GLN 1151 HB2 0.02 0.12 0.22 -0.04 2.15 2.46 1c0pA1 GLN 1151 HB3 0.03 -0.06 0.01 -0.04 2.02 1.97 1c0pA1 GLN 1151 HG2 0.12 -0.01 0.05 -0.04 2.40 2.53 1c0pA1 GLN 1151 HG3 0.07 0.17 0.06 -0.04 2.39 2.65 1c0pA1 GLN 1151 HE21 -0.01 -0.05 -0.00 -0.04 6.97 6.86 1c0pA1 GLN 1151 HE22 0.03 0.03 0.02 -0.04 7.69 7.72 1c0pA1 LYS 1152 H -0.00 0.49 -0.17 -0.55 8.42 8.18 1c0pA1 LYS 1152 HA 0.00 -0.01 0.40 -0.75 4.32 3.96 1c0pA1 LYS 1152 HB2 -0.02 0.14 0.14 -0.04 1.87 2.09 1c0pA1 LYS 1152 HB3 -0.00 -0.05 0.04 -0.04 1.79 1.73 1c0pA1 LYS 1152 HG2 -0.00 -0.06 0.05 -0.04 1.46 1.40 1c0pA1 LYS 1152 HG3 -0.01 0.12 0.09 -0.04 1.46 1.62 1c0pA1 LYS 1152 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.63 1c0pA1 LYS 1152 HD3 -0.00 -0.06 -0.01 -0.04 1.68 1.57 1c0pA1 LYS 1152 HE2 -0.04 0.04 -0.20 -0.04 2.99 2.75 1c0pA1 LYS 1152 HE3 -0.03 0.04 -0.00 -0.04 2.99 2.96 1c0pA1 LEU 1153 H -0.00 0.35 -0.28 -0.55 8.37 7.89 1c0pA1 LEU 1153 HA -0.00 0.08 0.65 -0.75 4.35 4.32 1c0pA1 LEU 1153 HB2 -0.01 -0.00 0.11 -0.04 1.64 1.70 1c0pA1 LEU 1153 HB3 -0.01 0.02 0.11 -0.04 1.64 1.72 1c0pA1 LEU 1153 HG -0.01 0.12 0.02 -0.04 1.64 1.74 1c0pA1 LEU 1153 HD13 0.01 -0.03 -0.10 -0.04 0.93 0.77 1c0pA1 LEU 1153 HD23 0.00 -0.00 -0.08 -0.04 0.89 0.77 1c0pA1 GLY 1154 H 0.01 0.45 -0.49 -0.55 8.43 7.86 1c0pA1 GLY 1154 HA2 0.01 -0.00 0.29 -0.51 4.01 3.80 1c0pA1 GLY 1154 HA3 0.00 0.05 0.45 -0.51 4.01 4.00 1c0pA1 ALA 1155 H -0.01 0.40 -0.08 -0.55 8.40 8.16 1c0pA1 ALA 1155 HA -0.05 0.21 0.72 -0.75 4.34 4.47 1c0pA1 ALA 1155 HB3 -0.14 -0.05 -0.03 -0.04 1.41 1.15 1c0pA1 THR 1156 H -0.07 0.45 0.42 -0.55 8.28 8.54 1c0pA1 THR 1156 HA 0.12 0.18 0.91 -0.75 4.39 4.85 1c0pA1 THR 1156 HB 0.19 -0.04 0.12 -0.04 4.32 4.54 1c0pA1 THR 1156 HG23 0.06 0.05 -0.13 -0.04 1.22 1.16 1c0pA1 PHE 1157 H 0.24 0.24 0.22 -0.55 8.34 8.49 1c0pA1 PHE 1157 HA -0.20 0.28 1.02 -0.75 4.62 4.96 1c0pA1 PHE 1157 HB2 -0.03 -0.01 0.04 -0.04 3.15 3.10 1c0pA1 PHE 1157 HB3 -0.07 -0.05 -0.06 -0.04 3.06 2.84 1c0pA1 PHE 1157 HD2 -0.05 -0.01 -0.12 -0.04 7.28 7.06 1c0pA1 PHE 1157 HE2 -0.04 0.04 -0.11 -0.04 7.38 7.22 1c0pA1 PHE 1157 HZ -0.05 -0.02 -0.03 -0.04 7.32 7.18 1c0pA1 GLU 1158 H -0.07 0.56 0.31 -0.55 8.60 8.85 1c0pA1 GLU 1158 HA 0.07 0.07 0.74 -0.75 4.29 4.41 1c0pA1 GLU 1158 HB2 0.23 0.07 -0.18 -0.04 2.09 2.17 1c0pA1 GLU 1158 HB3 -0.01 -0.00 -0.01 -0.04 1.99 1.93 1c0pA1 GLU 1158 HG2 0.05 0.06 -0.37 -0.04 2.34 2.03 1c0pA1 GLU 1158 HG3 0.08 -0.01 0.03 -0.04 2.34 2.39 1c0pA1 ARG 1159 H 0.02 0.14 0.14 -0.55 8.46 8.21 1c0pA1 ARG 1159 HA -0.02 0.40 0.76 -0.75 4.34 4.73 1c0pA1 ARG 1159 HB2 0.00 -0.03 0.19 -0.04 1.90 2.02 1c0pA1 ARG 1159 HB3 -0.01 -0.01 0.00 -0.04 1.80 1.75 1c0pA1 ARG 1159 HG2 -0.03 0.12 -0.00 -0.04 1.67 1.72 1c0pA1 ARG 1159 HG3 -0.01 -0.06 -0.01 -0.04 1.67 1.54 1c0pA1 ARG 1159 HD2 -0.01 -0.02 0.03 -0.04 3.22 3.18 1c0pA1 ARG 1159 HD3 -0.02 0.04 0.04 -0.04 3.22 3.24 1c0pA1 ARG 1160 H -0.02 0.46 0.02 -0.55 8.46 8.36 1c0pA1 ARG 1160 HA -0.00 0.12 0.56 -0.75 4.34 4.26 1c0pA1 ARG 1160 HB2 0.00 0.12 -0.37 -0.04 1.90 1.61 1c0pA1 ARG 1160 HB3 -0.02 -0.09 -0.20 -0.04 1.80 1.45 1c0pA1 ARG 1160 HG2 -0.00 -0.08 -0.42 -0.04 1.67 1.13 1c0pA1 ARG 1160 HG3 0.01 0.03 -0.04 -0.04 1.67 1.63 1c0pA1 ARG 1160 HD2 -0.00 -0.01 -0.18 -0.04 3.22 2.98 1c0pA1 ARG 1160 HD3 0.01 -0.02 -0.14 -0.04 3.22 3.03 1c0pA1 THR 1161 H -0.00 0.25 0.03 -0.55 8.28 8.01 1c0pA1 THR 1161 HA -0.01 0.09 0.88 -0.75 4.39 4.60 1c0pA1 THR 1161 HB -0.00 0.03 0.11 -0.04 4.32 4.41 1c0pA1 THR 1161 HG23 0.00 0.01 -0.14 -0.04 1.22 1.06 1c0pA1 VAL 1162 H -0.01 0.14 -0.00 -0.55 8.24 7.82 1c0pA1 VAL 1162 HA 0.00 0.10 0.48 -0.75 4.13 3.96 1c0pA1 VAL 1162 HB -0.01 -0.01 -0.03 -0.04 2.12 2.03 1c0pA1 VAL 1162 HG13 0.01 0.01 -0.28 -0.04 0.97 0.67 1c0pA1 VAL 1162 HG23 -0.02 0.02 -0.26 -0.04 0.95 0.65 1c0pA1 THR 1163 H 0.01 0.07 0.21 -0.55 8.28 8.02 1c0pA1 THR 1163 HA 0.01 0.23 0.84 -0.75 4.39 4.72 1c0pA1 THR 1163 HB 0.01 0.05 0.12 -0.04 4.32 4.46 1c0pA1 THR 1163 HG23 0.00 0.03 -0.14 -0.04 1.22 1.07 1c0pA1 SER 1164 H 0.02 0.14 0.13 -0.55 8.46 8.20 1c0pA1 SER 1164 HA 0.03 0.23 0.75 -0.75 4.49 4.75 1c0pA1 SER 1164 HB2 0.02 0.16 -0.19 -0.04 3.95 3.89 1c0pA1 SER 1164 HB3 0.02 -0.05 0.01 -0.04 3.93 3.88 1c0pA1 LEU 1165 H 0.06 0.57 0.14 -0.55 8.37 8.59 1c0pA1 LEU 1165 HA 0.10 0.02 0.15 -0.75 4.35 3.87 1c0pA1 LEU 1165 HB2 0.09 0.00 0.12 -0.04 1.64 1.81 1c0pA1 LEU 1165 HB3 0.24 0.04 -0.16 -0.04 1.64 1.72 1c0pA1 LEU 1165 HG 0.10 0.07 -0.12 -0.04 1.64 1.64 1c0pA1 LEU 1165 HD13 0.12 0.03 -0.12 -0.04 0.93 0.93 1c0pA1 LEU 1165 HD23 0.18 -0.01 -0.15 -0.04 0.89 0.87 1c0pA1 GLU 1166 H 0.07 0.07 -0.27 -0.55 8.60 7.92 1c0pA1 GLU 1166 HA 0.18 0.14 0.36 -0.75 4.29 4.22 1c0pA1 GLU 1166 HB2 0.05 0.10 0.03 -0.04 2.09 2.22 1c0pA1 GLU 1166 HB3 0.03 -0.05 0.06 -0.04 1.99 1.99 1c0pA1 GLU 1166 HG2 0.04 0.08 -0.25 -0.04 2.34 2.17 1c0pA1 GLU 1166 HG3 0.02 0.04 -0.07 -0.04 2.34 2.29 1c0pA1 GLN 1167 H 0.06 0.33 -0.35 -0.55 8.47 7.96 1c0pA1 GLN 1167 HA 0.04 0.11 0.38 -0.75 4.36 4.14 1c0pA1 GLN 1167 HB2 0.02 0.03 0.06 -0.04 2.15 2.23 1c0pA1 GLN 1167 HB3 0.02 0.02 0.00 -0.04 2.02 2.01 1c0pA1 GLN 1167 HG2 0.02 0.06 0.00 -0.04 2.40 2.44 1c0pA1 GLN 1167 HG3 0.03 -0.08 -0.01 -0.04 2.39 2.29 1c0pA1 GLN 1167 HE21 0.01 -0.01 0.04 -0.04 6.97 6.97 1c0pA1 GLN 1167 HE22 0.02 0.04 -0.00 -0.04 7.69 7.70 1c0pA1 ALA 1168 H 0.05 0.40 -0.31 -0.55 8.40 7.99 1c0pA1 ALA 1168 HA -0.06 0.15 0.75 -0.75 4.34 4.43 1c0pA1 ALA 1168 HB3 -0.16 -0.00 -0.04 -0.04 1.41 1.16 1c0pA1 PHE 1169 H 0.18 0.23 -0.25 -0.55 8.34 7.95 1c0pA1 PHE 1169 HA -0.01 0.16 0.37 -0.75 4.62 4.38 1c0pA1 PHE 1169 HB2 -0.01 -0.06 0.09 -0.04 3.15 3.13 1c0pA1 PHE 1169 HB3 -0.01 0.05 0.14 -0.04 3.06 3.20 1c0pA1 PHE 1169 HD2 -0.01 0.14 -0.18 -0.04 7.28 7.18 1c0pA1 PHE 1169 HE2 -0.02 0.03 -0.27 -0.04 7.38 7.08 1c0pA1 PHE 1169 HZ -0.04 0.01 -0.33 -0.04 7.32 6.92 1c0pA1 ASP 1170 H -0.01 0.57 -0.73 -0.55 8.40 7.68 1c0pA1 ASP 1170 HA 0.04 0.02 0.46 -0.75 4.63 4.40 1c0pA1 ASP 1170 HB2 0.02 0.00 -0.15 -0.04 2.71 2.54 1c0pA1 ASP 1170 HB3 0.02 0.00 0.05 -0.04 2.70 2.72 1c0pA1 GLY 1171 H 0.03 0.19 0.09 -0.55 8.43 8.19 1c0pA1 GLY 1171 HA2 0.00 -0.03 0.31 -0.51 4.01 3.78 1c0pA1 GLY 1171 HA3 -0.02 0.12 0.55 -0.51 4.01 4.15 1c0pA1 ALA 1172 H 0.04 0.16 -0.71 -0.55 8.40 7.35 1c0pA1 ALA 1172 HA 0.04 0.15 0.22 -0.75 4.34 4.00 1c0pA1 ALA 1172 HB3 0.00 0.06 -0.19 -0.04 1.41 1.24 1c0pA1 ASP 1173 H 0.02 0.27 0.08 -0.55 8.40 8.23 1c0pA1 ASP 1173 HA 0.23 0.17 0.80 -0.75 4.63 5.07 1c0pA1 ASP 1173 HB2 -0.03 0.08 0.08 -0.04 2.71 2.80 1c0pA1 ASP 1173 HB3 0.17 0.01 0.21 -0.04 2.70 3.05 1c0pA1 LEU 1174 H 0.02 0.19 -0.09 -0.55 8.37 7.94 1c0pA1 LEU 1174 HA 0.18 0.33 0.90 -0.75 4.35 5.01 1c0pA1 LEU 1174 HB2 -0.38 0.03 -0.10 -0.04 1.64 1.15 1c0pA1 LEU 1174 HB3 -0.01 0.04 0.06 -0.04 1.64 1.69 1c0pA1 LEU 1174 HG 0.06 0.08 -0.06 -0.04 1.64 1.68 1c0pA1 LEU 1174 HD13 0.17 -0.00 -0.10 -0.04 0.93 0.96 1c0pA1 LEU 1174 HD23 -0.02 -0.02 -0.39 -0.04 0.89 0.42 1c0pA1 VAL 1175 H 0.02 0.58 0.31 -0.55 8.24 8.59 1c0pA1 VAL 1175 HA -0.23 0.39 0.99 -0.75 4.13 4.53 1c0pA1 VAL 1175 HB -0.59 -0.04 0.02 -0.04 2.12 1.46 1c0pA1 VAL 1175 HG13 -0.26 -0.05 -0.33 -0.04 0.97 0.29 1c0pA1 VAL 1175 HG23 -1.06 -0.01 -0.35 -0.04 0.95 -0.52 1c0pA1 VAL 1176 H -0.13 0.66 0.38 -0.55 8.24 8.61 1c0pA1 VAL 1176 HA -0.07 0.25 0.96 -0.75 4.13 4.52 1c0pA1 VAL 1176 HB -0.10 -0.07 0.21 -0.04 2.12 2.12 1c0pA1 VAL 1176 HG13 -0.05 -0.01 -0.20 -0.04 0.97 0.67 1c0pA1 VAL 1176 HG23 -0.10 0.02 -0.10 -0.04 0.95 0.73 1c0pA1 ASN 1177 H -0.03 0.73 0.15 -0.55 8.53 8.83 1c0pA1 ASN 1177 HA -0.01 0.10 0.72 -0.75 4.76 4.81 1c0pA1 ASN 1177 HB2 -0.00 0.05 -0.07 -0.04 2.88 2.82 1c0pA1 ASN 1177 HB3 0.06 0.04 0.06 -0.04 2.79 2.91 1c0pA1 ASN 1177 HD21 -0.13 -0.03 -0.05 -0.04 7.03 6.77 1c0pA1 ASN 1177 HD22 0.89 0.07 -0.02 -0.04 7.74 8.64 1c0pA1 ALA 1178 H 0.01 0.82 0.22 -0.55 8.40 8.90 1c0pA1 ALA 1178 HA 0.17 0.33 0.88 -0.75 4.34 4.96 1c0pA1 ALA 1178 HB3 0.03 -0.02 0.02 -0.04 1.41 1.40 1c0pA1 THR 1179 H 0.03 0.22 -0.18 -0.55 8.28 7.80 1c0pA1 THR 1179 HA 0.04 0.16 0.66 -0.75 4.39 4.49 1c0pA1 THR 1179 HB -0.02 -0.09 0.04 -0.04 4.32 4.21 1c0pA1 THR 1179 HG23 -0.02 0.03 -0.16 -0.04 1.22 1.03 1c0pA1 GLY 1180 H 0.15 0.13 -0.13 -0.55 8.43 8.04 1c0pA1 GLY 1180 HA2 0.19 -0.04 0.41 -0.51 4.01 4.06 1c0pA1 GLY 1180 HA3 0.14 0.03 0.47 -0.51 4.01 4.13 1c0pA1 LEU 1181 H 0.10 0.16 0.24 -0.55 8.37 8.32 1c0pA1 LEU 1181 HA 0.07 0.11 0.38 -0.75 4.35 4.16 1c0pA1 LEU 1181 HB2 0.13 0.05 0.06 -0.04 1.64 1.83 1c0pA1 LEU 1181 HB3 0.20 0.07 -0.02 -0.04 1.64 1.84 1c0pA1 LEU 1181 HG -0.01 -0.12 -0.03 -0.04 1.64 1.44 1c0pA1 LEU 1181 HD13 -0.36 0.03 -0.12 -0.04 0.93 0.44 1c0pA1 LEU 1181 HD23 -0.12 0.04 -0.27 -0.04 0.89 0.49 1c0pA1 GLY 1182 H 0.06 0.52 -0.14 -0.55 8.43 8.32 1c0pA1 GLY 1182 HA2 0.07 0.09 0.34 -0.51 4.01 3.99 1c0pA1 GLY 1182 HA3 0.03 0.06 0.29 -0.51 4.01 3.88 1c0pA1 ALA 1183 H -0.14 0.31 -0.64 -0.55 8.40 7.39 1c0pA1 ALA 1183 HA -0.17 0.01 0.27 -0.75 4.34 3.70 1c0pA1 ALA 1183 HB3 -0.73 0.01 -0.05 -0.04 1.41 0.60 1c0pA1 LYS 1184 H 0.01 0.43 -0.37 -0.55 8.42 7.93 1c0pA1 LYS 1184 HA 0.02 -0.00 0.41 -0.75 4.32 4.00 1c0pA1 LYS 1184 HB2 0.09 0.09 0.07 -0.04 1.87 2.09 1c0pA1 LYS 1184 HB3 0.11 0.04 0.02 -0.04 1.79 1.92 1c0pA1 LYS 1184 HG2 0.06 -0.04 -0.31 -0.04 1.46 1.12 1c0pA1 LYS 1184 HG3 0.06 -0.05 -0.22 -0.04 1.46 1.21 1c0pA1 LYS 1184 HD2 0.12 0.16 0.02 -0.04 1.69 1.95 1c0pA1 LYS 1184 HD3 0.19 -0.03 -0.04 -0.04 1.68 1.75 1c0pA1 LYS 1184 HE2 0.04 -0.05 -0.07 -0.04 2.99 2.87 1c0pA1 LYS 1184 HE3 0.06 -0.03 -0.03 -0.04 2.99 2.95 1c0pA1 SER 1185 H 0.02 0.36 -0.23 -0.55 8.46 8.07 1c0pA1 SER 1185 HA 0.01 0.21 0.71 -0.75 4.49 4.67 1c0pA1 SER 1185 HB2 0.02 0.01 0.03 -0.04 3.95 3.97 1c0pA1 SER 1185 HB3 0.00 -0.00 0.11 -0.04 3.93 4.00 1c0pA1 ILE 1186 H -0.00 0.16 -0.20 -0.55 8.25 7.67 1c0pA1 ILE 1186 HA 0.01 0.22 0.62 -0.75 4.18 4.28 1c0pA1 ILE 1186 HB -0.00 -0.06 -0.03 -0.04 1.89 1.77 1c0pA1 ILE 1186 HG12 0.00 0.17 -0.22 -0.04 1.49 1.40 1c0pA1 ILE 1186 HG13 -0.00 0.12 -0.11 -0.04 1.21 1.17 1c0pA1 ILE 1186 HG23 0.02 -0.02 -0.47 -0.04 0.93 0.43 1c0pA1 ILE 1186 HD13 -0.02 -0.05 -0.21 -0.04 0.88 0.56 1c0pA1 ALA 1187 H 0.02 0.67 0.18 -0.55 8.40 8.72 1c0pA1 ALA 1187 HA 0.02 0.02 0.37 -0.75 4.34 3.99 1c0pA1 ALA 1187 HB3 0.02 0.02 -0.04 -0.04 1.41 1.37 1c0pA1 GLY 1188 H 0.03 0.20 0.05 -0.55 8.43 8.16 1c0pA1 GLY 1188 HA2 0.03 0.09 0.24 -0.51 4.01 3.87 1c0pA1 GLY 1188 HA3 0.05 0.03 0.67 -0.51 4.01 4.25 1c0pA1 ILE 1189 H 0.04 0.39 -0.22 -0.55 8.25 7.92 1c0pA1 ILE 1189 HA 0.10 0.16 0.76 -0.75 4.18 4.45 1c0pA1 ILE 1189 HB 0.01 0.07 0.14 -0.04 1.89 2.07 1c0pA1 ILE 1189 HG12 0.18 0.07 -0.18 -0.04 1.49 1.52 1c0pA1 ILE 1189 HG13 0.08 -0.06 -0.40 -0.04 1.21 0.79 1c0pA1 ILE 1189 HG23 0.02 -0.04 -0.04 -0.04 0.93 0.83 1c0pA1 ILE 1189 HD13 0.03 -0.03 -0.13 -0.04 0.88 0.72 1c0pA1 ASP 1190 H 0.02 0.34 0.10 -0.55 8.40 8.31 1c0pA1 ASP 1190 HA 0.02 0.28 0.27 -0.75 4.63 4.45 1c0pA1 ASP 1190 HB2 0.02 0.18 -0.26 -0.04 2.71 2.62 1c0pA1 ASP 1190 HB3 0.02 -0.00 0.19 -0.04 2.70 2.86 1c0pA1 ASP 1191 H 0.01 0.35 -0.15 -0.55 8.40 8.05 1c0pA1 ASP 1191 HA 0.04 0.15 0.42 -0.75 4.63 4.49 1c0pA1 ASP 1191 HB2 0.09 0.09 -0.08 -0.04 2.71 2.77 1c0pA1 ASP 1191 HB3 0.08 -0.11 -0.05 -0.04 2.70 2.58 1c0pA1 GLN 1192 H 0.04 0.29 0.31 -0.55 8.47 8.56 1c0pA1 GLN 1192 HA 0.06 0.11 0.42 -0.75 4.36 4.19 1c0pA1 GLN 1192 HB2 0.03 -0.02 0.09 -0.04 2.15 2.21 1c0pA1 GLN 1192 HB3 0.04 -0.00 0.12 -0.04 2.02 2.14 1c0pA1 GLN 1192 HG2 0.03 0.17 0.18 -0.04 2.40 2.74 1c0pA1 GLN 1192 HG3 0.02 -0.03 0.08 -0.04 2.39 2.42 1c0pA1 GLN 1192 HE21 0.03 0.01 -0.09 -0.04 6.97 6.87 1c0pA1 GLN 1192 HE22 0.03 0.32 -0.12 -0.04 7.69 7.88 1c0pA1 ALA 1193 H 0.05 0.02 -0.34 -0.55 8.40 7.59 1c0pA1 ALA 1193 HA 0.04 0.13 0.57 -0.75 4.34 4.32 1c0pA1 ALA 1193 HB3 0.03 0.01 0.06 -0.04 1.41 1.46 1c0pA1 ALA 1194 H 0.10 0.26 -0.26 -0.55 8.40 7.95 1c0pA1 ALA 1194 HA 0.10 0.16 0.69 -0.75 4.34 4.53 1c0pA1 ALA 1194 HB3 0.12 -0.02 0.05 -0.04 1.41 1.51 1c0pA1 GLU 1195 H 0.02 0.49 0.12 -0.55 8.60 8.69 1c0pA1 GLU 1195 HA 0.01 0.19 0.70 -0.75 4.29 4.43 1c0pA1 GLU 1195 HB2 -0.02 0.01 0.02 -0.04 2.09 2.06 1c0pA1 GLU 1195 HB3 0.03 0.16 -0.29 -0.04 1.99 1.86 1c0pA1 GLU 1195 HG2 0.00 -0.05 -0.25 -0.04 2.34 2.00 1c0pA1 GLU 1195 HG3 -0.03 -0.08 -0.30 -0.04 2.34 1.89 1c0pA1 PRO 1196 HA -0.27 0.30 0.71 -0.51 4.44 4.67 1c0pA1 PRO 1196 HB2 -0.55 0.14 -0.17 -0.04 2.28 1.65 1c0pA1 PRO 1196 HB3 -1.03 -0.00 -0.04 -0.04 2.02 0.90 1c0pA1 PRO 1196 HG2 -0.62 -0.12 -0.29 -0.04 2.03 0.97 1c0pA1 PRO 1196 HG3 -2.55 0.06 -0.24 -0.04 2.03 -0.73 1c0pA1 PRO 1196 HD2 -0.22 0.13 0.19 -0.04 3.68 3.73 1c0pA1 PRO 1196 HD3 -0.68 0.16 0.06 -0.04 3.65 3.15 1c0pA1 ILE 1197 H -0.11 0.47 0.17 -0.55 8.25 8.22 1c0pA1 ILE 1197 HA -0.07 0.24 0.59 -0.75 4.18 4.20 1c0pA1 ILE 1197 HB 0.02 -0.08 0.04 -0.04 1.89 1.83 1c0pA1 ILE 1197 HG12 -0.02 0.04 -0.11 -0.04 1.49 1.35 1c0pA1 ILE 1197 HG13 -0.03 -0.03 -0.48 -0.04 1.21 0.63 1c0pA1 ILE 1197 HG23 0.09 0.02 -0.32 -0.04 0.93 0.68 1c0pA1 ILE 1197 HD13 0.00 -0.01 -0.10 -0.04 0.88 0.72 1c0pA1 ARG 1198 H -0.08 0.57 0.18 -0.55 8.46 8.58 1c0pA1 ARG 1198 HA -0.11 0.13 0.52 -0.75 4.34 4.12 1c0pA1 ARG 1198 HB2 -0.09 0.31 0.11 -0.04 1.90 2.20 1c0pA1 ARG 1198 HB3 -0.06 -0.18 0.19 -0.04 1.80 1.71 1c0pA1 ARG 1198 HG2 -0.08 -0.10 -0.33 -0.04 1.67 1.11 1c0pA1 ARG 1198 HG3 -0.09 0.11 -0.12 -0.04 1.67 1.53 1c0pA1 ARG 1198 HD2 -0.03 -0.08 -0.12 -0.04 3.22 2.95 1c0pA1 ARG 1198 HD3 -0.03 -0.13 -0.05 -0.04 3.22 2.97 1c0pA1 GLY 1199 H -0.11 0.78 0.39 -0.55 8.43 8.94 1c0pA1 GLY 1199 HA2 -0.16 0.14 0.96 -0.51 4.01 4.44 1c0pA1 GLY 1199 HA3 -0.10 0.01 0.36 -0.51 4.01 3.77 1c0pA1 GLN 1200 H -0.12 0.08 0.19 -0.55 8.47 8.08 1c0pA1 GLN 1200 HA -0.10 0.36 1.11 -0.75 4.36 4.97 1c0pA1 GLN 1200 HB2 -0.08 -0.03 0.08 -0.04 2.15 2.08 1c0pA1 GLN 1200 HB3 -0.08 -0.07 0.09 -0.04 2.02 1.93 1c0pA1 GLN 1200 HG2 -0.03 0.04 -0.15 -0.04 2.40 2.21 1c0pA1 GLN 1200 HG3 -0.05 0.21 0.13 -0.04 2.39 2.63 1c0pA1 GLN 1200 HE21 -0.06 0.24 0.05 -0.04 6.97 7.16 1c0pA1 GLN 1200 HE22 -0.01 0.08 -0.10 -0.04 7.69 7.61 1c0pA1 THR 1201 H -0.04 0.60 0.40 -0.55 8.28 8.69 1c0pA1 THR 1201 HA -0.08 0.23 0.97 -0.75 4.39 4.75 1c0pA1 THR 1201 HB 0.01 0.09 0.01 -0.04 4.32 4.38 1c0pA1 THR 1201 HG23 0.04 -0.02 -0.30 -0.04 1.22 0.90 1c0pA1 VAL 1202 H -0.04 0.74 0.39 -0.55 8.24 8.78 1c0pA1 VAL 1202 HA -0.06 0.17 1.06 -0.75 4.13 4.54 1c0pA1 VAL 1202 HB -0.03 -0.01 0.15 -0.04 2.12 2.20 1c0pA1 VAL 1202 HG13 -0.17 0.02 -0.08 -0.04 0.97 0.69 1c0pA1 VAL 1202 HG23 0.10 -0.01 -0.05 -0.04 0.95 0.95 1c0pA1 LEU 1203 H -0.07 0.66 0.34 -0.55 8.37 8.75 1c0pA1 LEU 1203 HA -0.02 0.21 0.92 -0.75 4.35 4.70 1c0pA1 LEU 1203 HB2 0.01 0.01 0.06 -0.04 1.64 1.67 1c0pA1 LEU 1203 HB3 -0.02 -0.11 0.21 -0.04 1.64 1.67 1c0pA1 LEU 1203 HG -0.02 0.00 -0.25 -0.04 1.64 1.33 1c0pA1 LEU 1203 HD13 -0.04 0.04 -0.08 -0.04 0.93 0.81 1c0pA1 LEU 1203 HD23 -0.00 -0.01 -0.10 -0.04 0.89 0.74 1c0pA1 VAL 1204 H -0.02 0.74 0.44 -0.55 8.24 8.85 1c0pA1 VAL 1204 HA -0.03 0.14 0.96 -0.75 4.13 4.45 1c0pA1 VAL 1204 HB -0.01 0.04 0.10 -0.04 2.12 2.21 1c0pA1 VAL 1204 HG13 -0.01 -0.02 -0.20 -0.04 0.97 0.70 1c0pA1 VAL 1204 HG23 -0.03 -0.02 -0.29 -0.04 0.95 0.57 1c0pA1 LYS 1205 H -0.01 0.63 0.33 -0.55 8.42 8.82 1c0pA1 LYS 1205 HA -0.01 0.21 1.01 -0.75 4.32 4.77 1c0pA1 LYS 1205 HB2 -0.01 -0.04 0.11 -0.04 1.87 1.89 1c0pA1 LYS 1205 HB3 -0.01 -0.05 0.27 -0.04 1.79 1.97 1c0pA1 LYS 1205 HG2 -0.00 -0.08 0.01 -0.04 1.46 1.35 1c0pA1 LYS 1205 HG3 -0.00 0.03 -0.20 -0.04 1.46 1.24 1c0pA1 LYS 1205 HD2 -0.00 0.34 0.12 -0.04 1.69 2.10 1c0pA1 LYS 1205 HD3 -0.00 -0.07 0.03 -0.04 1.68 1.60 1c0pA1 LYS 1205 HE2 -0.00 -0.07 0.00 -0.04 2.99 2.88 1c0pA1 LYS 1205 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.90 1c0pA1 SER 1206 H -0.00 0.58 0.27 -0.55 8.46 8.76 1c0pA1 SER 1206 HA -0.00 0.11 0.59 -0.75 4.49 4.43 1c0pA1 SER 1206 HB2 0.00 0.24 -0.10 -0.04 3.95 4.05 1c0pA1 SER 1206 HB3 0.00 -0.05 -0.12 -0.04 3.93 3.73 1c0pA1 PRO 1207 HA -0.00 0.12 0.57 -0.51 4.44 4.62 1c0pA1 PRO 1207 HB2 0.00 -0.01 0.05 -0.04 2.28 2.28 1c0pA1 PRO 1207 HB3 -0.00 0.00 0.09 -0.04 2.02 2.07 1c0pA1 PRO 1207 HG2 0.00 0.06 -0.03 -0.04 2.03 2.02 1c0pA1 PRO 1207 HG3 0.00 0.01 0.04 -0.04 2.03 2.04 1c0pA1 PRO 1207 HD2 0.00 0.19 0.19 -0.04 3.68 4.02 1c0pA1 PRO 1207 HD3 0.00 0.11 0.09 -0.04 3.65 3.81 1c0pA1 CYS 1208 H 0.00 0.07 -0.46 -0.55 8.50 7.56 1c0pA1 CYS 1208 HA 0.01 -0.04 0.27 -0.75 4.58 4.07 1c0pA1 CYS 1208 HB2 0.01 0.11 -0.19 -0.04 2.97 2.85 1c0pA1 CYS 1208 HB3 0.01 0.02 -0.10 -0.04 2.97 2.86 1c0pA1 LYS 1209 H 0.01 0.08 0.16 -0.55 8.42 8.11 1c0pA1 LYS 1209 HA 0.01 0.24 0.82 -0.75 4.32 4.64 1c0pA1 LYS 1209 HB2 0.01 -0.05 0.09 -0.04 1.87 1.89 1c0pA1 LYS 1209 HB3 0.02 -0.02 0.18 -0.04 1.79 1.93 1c0pA1 LYS 1209 HG2 0.01 0.26 -0.27 -0.04 1.46 1.41 1c0pA1 LYS 1209 HG3 0.01 -0.07 0.00 -0.04 1.46 1.36 1c0pA1 LYS 1209 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 1c0pA1 LYS 1209 HD3 0.01 0.07 -0.02 -0.04 1.68 1.69 1c0pA1 LYS 1209 HE2 -0.00 0.01 -0.06 -0.04 2.99 2.90 1c0pA1 LYS 1209 HE3 0.00 0.05 -0.04 -0.04 2.99 2.95 1c0pA1 ARG 1210 H 0.01 0.01 -0.12 -0.55 8.46 7.81 1c0pA1 ARG 1210 HA 0.01 0.21 0.69 -0.75 4.34 4.49 1c0pA1 ARG 1210 HB2 0.01 -0.06 0.01 -0.04 1.90 1.81 1c0pA1 ARG 1210 HB3 0.01 -0.07 0.04 -0.04 1.80 1.74 1c0pA1 ARG 1210 HG2 0.01 -0.03 -0.26 -0.04 1.67 1.35 1c0pA1 ARG 1210 HG3 -0.01 0.17 -0.06 -0.04 1.67 1.72 1c0pA1 ARG 1210 HD2 -0.00 0.11 0.00 -0.04 3.22 3.28 1c0pA1 ARG 1210 HD3 0.00 -0.07 -0.02 -0.04 3.22 3.09 1c0pA1 CYS 1211 H 0.00 0.18 0.10 -0.55 8.50 8.23 1c0pA1 CYS 1211 HA 0.02 0.34 0.86 -0.75 4.58 5.05 1c0pA1 CYS 1211 HB2 0.03 0.02 0.05 -0.04 2.97 3.03 1c0pA1 CYS 1211 HB3 0.01 -0.08 0.15 -0.04 2.97 3.01 1c0pA1 THR 1212 H 0.03 0.40 0.34 -0.55 8.28 8.50 1c0pA1 THR 1212 HA -0.11 0.30 1.08 -0.75 4.39 4.90 1c0pA1 THR 1212 HB 0.06 -0.11 0.09 -0.04 4.32 4.33 1c0pA1 THR 1212 HG23 0.06 -0.00 -0.11 -0.04 1.22 1.13 1c0pA1 MET 1213 H -0.13 0.81 0.37 -0.55 8.47 8.97 1c0pA1 MET 1213 HA 0.14 0.11 0.97 -0.75 4.52 4.99 1c0pA1 MET 1213 HB2 0.03 -0.03 0.25 -0.04 2.15 2.36 1c0pA1 MET 1213 HB3 0.12 -0.01 0.05 -0.04 2.03 2.15 1c0pA1 MET 1213 HG2 0.02 0.04 -0.17 -0.04 2.63 2.49 1c0pA1 MET 1213 HG3 0.07 -0.03 -0.07 -0.04 2.56 2.49 1c0pA1 MET 1213 HE3 -0.01 -0.01 -0.06 -0.04 2.10 1.98 1c0pA1 ASP 1214 H 0.15 0.74 0.28 -0.55 8.40 9.03 1c0pA1 ASP 1214 HA 0.27 0.08 1.09 -0.75 4.63 5.32 1c0pA1 ASP 1214 HB2 0.36 0.04 -0.09 -0.04 2.71 2.99 1c0pA1 ASP 1214 HB3 0.11 0.06 0.17 -0.04 2.70 3.01 1c0pA1 SER 1215 H 0.19 0.72 0.24 -0.55 8.46 9.05 1c0pA1 SER 1215 HA 0.14 0.20 0.94 -0.75 4.49 5.02 1c0pA1 SER 1215 HB2 0.09 0.00 0.20 -0.04 3.95 4.20 1c0pA1 SER 1215 HB3 0.13 0.00 0.05 -0.04 3.93 4.07 1c0pA1 SER 1216 H 0.19 0.12 -0.24 -0.55 8.46 7.99 1c0pA1 SER 1216 HA 0.10 0.02 0.43 -0.75 4.49 4.28 1c0pA1 SER 1216 HB2 0.07 0.10 -0.13 -0.04 3.95 3.95 1c0pA1 SER 1216 HB3 0.16 -0.05 -0.28 -0.04 3.93 3.71 1c0pA1 ASP 1217 H 0.14 0.17 -0.37 -0.55 8.40 7.80 1c0pA1 ASP 1217 HA 0.05 0.26 0.91 -0.75 4.63 5.10 1c0pA1 ASP 1217 HB2 0.05 0.05 -0.07 -0.04 2.71 2.69 1c0pA1 ASP 1217 HB3 0.18 0.19 0.12 -0.04 2.70 3.15 1c0pA1 PRO 1218 HA 0.06 0.12 0.23 -0.51 4.44 4.33 1c0pA1 PRO 1218 HB2 0.03 0.02 -0.02 -0.04 2.28 2.28 1c0pA1 PRO 1218 HB3 0.03 0.02 0.06 -0.04 2.02 2.10 1c0pA1 PRO 1218 HG2 0.03 0.02 0.02 -0.04 2.03 2.05 1c0pA1 PRO 1218 HG3 0.03 0.04 0.04 -0.04 2.03 2.10 1c0pA1 PRO 1218 HD2 0.03 0.10 0.18 -0.04 3.68 3.95 1c0pA1 PRO 1218 HD3 0.04 0.29 0.00 -0.04 3.65 3.95 1c0pA1 ALA 1219 H 0.04 0.07 -0.41 -0.55 8.40 7.56 1c0pA1 ALA 1219 HA 0.04 0.14 0.79 -0.75 4.34 4.55 1c0pA1 ALA 1219 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 1c0pA1 SER 1220 H 0.10 0.47 -0.36 -0.55 8.46 8.12 1c0pA1 SER 1220 HA 0.09 0.15 0.68 -0.75 4.49 4.66 1c0pA1 SER 1220 HB2 0.07 -0.03 -0.39 -0.04 3.95 3.56 1c0pA1 SER 1220 HB3 0.17 -0.05 0.05 -0.04 3.93 4.06 1c0pA1 PRO 1221 HA 0.14 0.12 0.65 -0.51 4.44 4.84 1c0pA1 PRO 1221 HB2 0.14 -0.05 -0.18 -0.04 2.28 2.15 1c0pA1 PRO 1221 HB3 0.31 0.00 0.02 -0.04 2.02 2.31 1c0pA1 PRO 1221 HG2 0.12 -0.10 0.05 -0.04 2.03 2.06 1c0pA1 PRO 1221 HG3 0.18 0.03 0.02 -0.04 2.03 2.22 1c0pA1 PRO 1221 HD2 0.06 0.13 0.20 -0.04 3.68 4.02 1c0pA1 PRO 1221 HD3 0.09 0.13 -0.11 -0.04 3.65 3.72 1c0pA1 ALA 1222 H 0.02 0.52 0.37 -0.55 8.40 8.76 1c0pA1 ALA 1222 HA -0.28 0.28 0.82 -0.75 4.34 4.42 1c0pA1 ALA 1222 HB3 -0.76 -0.01 -0.01 -0.04 1.41 0.60 1c0pA1 TYR 1223 H -0.31 0.53 0.23 -0.55 8.29 8.19 1c0pA1 TYR 1223 HA 0.01 0.25 0.60 -0.75 4.56 4.67 1c0pA1 TYR 1223 HB2 0.04 0.07 0.08 -0.04 3.06 3.22 1c0pA1 TYR 1223 HB3 0.07 0.04 0.11 -0.04 2.98 3.15 1c0pA1 TYR 1223 HD2 0.06 0.10 -0.32 -0.04 7.15 6.95 1c0pA1 TYR 1223 HE2 -0.06 0.02 -0.16 -0.04 6.85 6.60 1c0pA1 ILE 1224 H 0.14 0.66 0.35 -0.55 8.25 8.85 1c0pA1 ILE 1224 HA 0.09 0.23 0.86 -0.75 4.18 4.60 1c0pA1 ILE 1224 HB 0.05 -0.10 0.27 -0.04 1.89 2.07 1c0pA1 ILE 1224 HG12 0.02 0.01 0.00 -0.04 1.49 1.48 1c0pA1 ILE 1224 HG13 0.03 -0.11 -0.32 -0.04 1.21 0.77 1c0pA1 ILE 1224 HG23 0.03 0.01 -0.10 -0.04 0.93 0.83 1c0pA1 ILE 1224 HD13 0.04 0.04 -0.03 -0.04 0.88 0.89 1c0pA1 ILE 1225 H 0.11 0.68 0.18 -0.55 8.25 8.67 1c0pA1 ILE 1225 HA 0.04 0.19 0.96 -0.75 4.18 4.62 1c0pA1 ILE 1225 HB 0.06 -0.02 0.16 -0.04 1.89 2.05 1c0pA1 ILE 1225 HG12 0.02 0.05 -0.13 -0.04 1.49 1.38 1c0pA1 ILE 1225 HG13 0.15 -0.05 -0.40 -0.04 1.21 0.87 1c0pA1 ILE 1225 HG23 -0.02 -0.01 -0.27 -0.04 0.93 0.59 1c0pA1 ILE 1225 HD13 -0.22 -0.05 -0.06 -0.04 0.88 0.51 1c0pA1 PRO 1226 HA -0.01 0.17 0.76 -0.51 4.44 4.86 1c0pA1 PRO 1226 HB2 0.00 -0.04 -0.18 -0.04 2.28 2.02 1c0pA1 PRO 1226 HB3 0.00 0.23 0.02 -0.04 2.02 2.24 1c0pA1 PRO 1226 HG2 0.02 -0.02 -0.71 -0.04 2.03 1.27 1c0pA1 PRO 1226 HG3 0.01 0.08 -0.38 -0.04 2.03 1.71 1c0pA1 PRO 1226 HD2 0.02 0.02 -0.03 -0.04 3.68 3.64 1c0pA1 PRO 1226 HD3 0.03 0.23 -0.29 -0.04 3.65 3.58 1c0pA1 ARG 1227 H -0.04 0.65 0.31 -0.55 8.46 8.83 1c0pA1 ARG 1227 HA -0.08 0.15 0.69 -0.75 4.34 4.35 1c0pA1 ARG 1227 HB2 -0.15 -0.09 0.01 -0.04 1.90 1.63 1c0pA1 ARG 1227 HB3 -0.14 0.18 -0.10 -0.04 1.80 1.70 1c0pA1 ARG 1227 HG2 -0.10 0.02 -0.10 -0.04 1.67 1.44 1c0pA1 ARG 1227 HG3 -0.08 0.13 -0.25 -0.04 1.67 1.43 1c0pA1 ARG 1227 HD2 -0.76 -0.16 0.03 -0.04 3.22 2.29 1c0pA1 ARG 1227 HD3 -0.28 0.11 -0.01 -0.04 3.22 3.00 1c0pA1 PRO 1228 HA -0.04 -0.04 0.40 -0.51 4.44 4.26 1c0pA1 PRO 1228 HB2 -0.03 -0.04 0.09 -0.04 2.28 2.26 1c0pA1 PRO 1228 HB3 -0.09 0.12 0.08 -0.04 2.02 2.09 1c0pA1 PRO 1228 HG2 -0.12 -0.01 -0.07 -0.04 2.03 1.79 1c0pA1 PRO 1228 HG3 -0.13 0.06 -0.16 -0.04 2.03 1.77 1c0pA1 PRO 1228 HD2 -0.06 0.00 -0.13 -0.04 3.68 3.46 1c0pA1 PRO 1228 HD3 -0.12 0.17 -0.12 -0.04 3.65 3.54 1c0pA1 GLY 1229 H -0.02 0.08 0.23 -0.55 8.43 8.18 1c0pA1 GLY 1229 HA2 -0.01 -0.02 0.30 -0.51 4.01 3.77 1c0pA1 GLY 1229 HA3 0.04 0.31 1.08 -0.51 4.01 4.92 1c0pA1 GLY 1230 H -0.00 0.21 0.15 -0.55 8.43 8.24 1c0pA1 GLY 1230 HA2 -0.00 0.00 0.35 -0.51 4.01 3.85 1c0pA1 GLY 1230 HA3 -0.00 0.12 0.75 -0.51 4.01 4.37 1c0pA1 GLU 1231 H -0.00 0.21 -0.05 -0.55 8.60 8.21 1c0pA1 GLU 1231 HA -0.01 0.21 1.25 -0.75 4.29 4.99 1c0pA1 GLU 1231 HB2 -0.02 -0.02 -0.08 -0.04 2.09 1.93 1c0pA1 GLU 1231 HB3 -0.02 -0.02 -0.01 -0.04 1.99 1.90 1c0pA1 GLU 1231 HG2 -0.00 0.01 -0.14 -0.04 2.34 2.17 1c0pA1 GLU 1231 HG3 0.01 0.03 -0.49 -0.04 2.34 1.84 1c0pA1 VAL 1232 H -0.01 0.69 0.40 -0.55 8.24 8.77 1c0pA1 VAL 1232 HA -0.01 0.25 1.02 -0.75 4.13 4.63 1c0pA1 VAL 1232 HB 0.01 0.00 -0.23 -0.04 2.12 1.87 1c0pA1 VAL 1232 HG13 0.00 0.01 -0.24 -0.04 0.97 0.70 1c0pA1 VAL 1232 HG23 0.00 -0.02 -0.17 -0.04 0.95 0.72 1c0pA1 ILE 1233 H 0.01 0.69 0.22 -0.55 8.25 8.63 1c0pA1 ILE 1233 HA 0.01 0.16 0.99 -0.75 4.18 4.58 1c0pA1 ILE 1233 HB 0.06 0.03 0.18 -0.04 1.89 2.11 1c0pA1 ILE 1233 HG12 0.00 -0.05 -0.06 -0.04 1.49 1.35 1c0pA1 ILE 1233 HG13 -0.04 -0.04 -0.15 -0.04 1.21 0.94 1c0pA1 ILE 1233 HG23 0.14 -0.03 -0.23 -0.04 0.93 0.77 1c0pA1 ILE 1233 HD13 -0.07 0.06 -0.04 -0.04 0.88 0.79 1c0pA1 CYS 1234 H -0.01 0.71 0.38 -0.55 8.50 9.03 1c0pA1 CYS 1234 HA -0.04 0.32 1.11 -0.75 4.58 5.22 1c0pA1 CYS 1234 HB2 -0.04 -0.05 0.23 -0.04 2.97 3.06 1c0pA1 CYS 1234 HB3 -0.06 0.04 0.04 -0.04 2.97 2.94 1c0pA1 GLY 1235 H -0.46 0.68 0.44 -0.55 8.43 8.54 1c0pA1 GLY 1235 HA2 -0.39 0.18 1.02 -0.51 4.01 4.31 1c0pA1 GLY 1235 HA3 -1.41 -0.05 0.34 -0.51 4.01 2.38 1c0pA1 GLY 1236 H -0.25 0.65 0.21 -0.55 8.43 8.49 1c0pA1 GLY 1236 HA2 -0.30 0.32 0.50 -0.51 4.01 4.02 1c0pA1 GLY 1236 HA3 -0.49 0.00 0.31 -0.51 4.01 3.32 1c0pA1 THR 1237 H -0.26 0.23 0.31 -0.55 8.28 8.02 1c0pA1 THR 1237 HA -0.08 0.22 0.85 -0.75 4.39 4.63 1c0pA1 THR 1237 HB -0.06 -0.03 0.12 -0.04 4.32 4.31 1c0pA1 THR 1237 HG23 -0.07 0.03 -0.10 -0.04 1.22 1.04 1c0pA1 TYR 1238 H 0.06 0.19 0.04 -0.55 8.29 8.03 1c0pA1 TYR 1238 HA -0.02 0.19 0.62 -0.75 4.56 4.60 1c0pA1 TYR 1238 HB2 -0.02 0.03 0.14 -0.04 3.06 3.17 1c0pA1 TYR 1238 HB3 -0.04 -0.05 0.11 -0.04 2.98 2.96 1c0pA1 TYR 1238 HD2 -0.03 -0.03 -0.09 -0.04 7.15 6.96 1c0pA1 TYR 1238 HE2 -0.01 -0.02 -0.09 -0.04 6.85 6.69 1c0pA1 GLY 1239 H -0.02 0.63 0.03 -0.55 8.43 8.53 1c0pA1 GLY 1239 HA2 0.02 0.13 0.58 -0.51 4.01 4.23 1c0pA1 GLY 1239 HA3 -0.01 0.01 0.38 -0.51 4.01 3.88 1c0pA1 VAL 1240 H 0.02 0.29 0.25 -0.55 8.24 8.25 1c0pA1 VAL 1240 HA -0.02 0.07 0.54 -0.75 4.13 3.96 1c0pA1 VAL 1240 HB 0.01 0.01 0.17 -0.04 2.12 2.27 1c0pA1 VAL 1240 HG13 -0.00 0.00 -0.11 -0.04 0.97 0.82 1c0pA1 VAL 1240 HG23 0.01 0.04 0.04 -0.04 0.95 0.99 1c0pA1 GLY 1241 H -0.08 0.72 0.35 -0.55 8.43 8.88 1c0pA1 GLY 1241 HA2 -0.04 0.01 0.36 -0.51 4.01 3.84 1c0pA1 GLY 1241 HA3 0.03 0.07 0.54 -0.51 4.01 4.15 1c0pA1 ASP 1242 H -0.07 0.39 -0.34 -0.55 8.40 7.84 1c0pA1 ASP 1242 HA 0.09 0.06 0.64 -0.75 4.63 4.67 1c0pA1 ASP 1242 HB2 0.01 0.05 -0.12 -0.04 2.71 2.61 1c0pA1 ASP 1242 HB3 -0.03 -0.00 0.13 -0.04 2.70 2.76 1c0pA1 TRP 1243 H 0.33 0.19 0.15 -0.55 7.97 8.09 1c0pA1 TRP 1243 HA -0.00 0.16 0.62 -0.75 4.62 4.65 1c0pA1 TRP 1243 HB2 0.00 0.00 0.05 -0.04 3.23 3.25 1c0pA1 TRP 1243 HB3 0.00 -0.01 0.09 -0.04 3.23 3.27 1c0pA1 TRP 1243 HD1 0.01 0.16 -0.00 -0.04 7.22 7.34 1c0pA1 TRP 1243 HE1 0.02 0.05 -0.01 -0.04 10.20 10.22 1c0pA1 TRP 1243 HE3 0.02 -0.00 0.00 -0.04 7.59 7.56 1c0pA1 TRP 1243 HZ2 0.02 0.07 -0.05 -0.04 7.44 7.45 1c0pA1 TRP 1243 HZ3 0.03 -0.02 -0.05 -0.04 7.13 7.06 1c0pA1 TRP 1243 HH2 0.03 -0.01 -0.08 -0.04 7.19 7.09 1c0pA1 ASP 1244 H 0.10 0.03 -0.22 -0.55 8.40 7.76 1c0pA1 ASP 1244 HA 0.08 -0.01 0.37 -0.75 4.63 4.32 1c0pA1 ASP 1244 HB2 0.05 -0.01 0.07 -0.04 2.71 2.78 1c0pA1 ASP 1244 HB3 0.02 0.03 0.06 -0.04 2.70 2.77 1c0pA1 LEU 1245 H 0.04 0.10 0.20 -0.55 8.37 8.16 1c0pA1 LEU 1245 HA -0.06 0.19 0.54 -0.75 4.35 4.28 1c0pA1 LEU 1245 HB2 0.02 -0.05 0.09 -0.04 1.64 1.65 1c0pA1 LEU 1245 HB3 -0.03 0.01 0.13 -0.04 1.64 1.71 1c0pA1 LEU 1245 HG 0.10 0.16 0.03 -0.04 1.64 1.89 1c0pA1 LEU 1245 HD13 0.08 -0.02 -0.00 -0.04 0.93 0.95 1c0pA1 LEU 1245 HD23 -0.00 0.02 -0.15 -0.04 0.89 0.72 1c0pA1 SER 1246 H -0.01 -0.04 -0.19 -0.55 8.46 7.67 1c0pA1 SER 1246 HA -0.03 0.14 0.50 -0.75 4.49 4.34 1c0pA1 SER 1246 HB2 -0.02 0.06 0.03 -0.04 3.95 3.98 1c0pA1 SER 1246 HB3 -0.01 -0.03 0.03 -0.04 3.93 3.88 1c0pA1 VAL 1247 H -0.04 0.13 0.11 -0.55 8.24 7.89 1c0pA1 VAL 1247 HA -0.06 0.11 0.52 -0.75 4.13 3.94 1c0pA1 VAL 1247 HB -0.06 -0.03 0.10 -0.04 2.12 2.09 1c0pA1 VAL 1247 HG13 -0.15 -0.01 -0.22 -0.04 0.97 0.55 1c0pA1 VAL 1247 HG23 -0.02 0.02 -0.08 -0.04 0.95 0.84 1c0pA1 ASN 1248 H -0.05 0.20 0.13 -0.55 8.53 8.25 1c0pA1 ASN 1248 HA -0.04 0.18 0.69 -0.75 4.76 4.84 1c0pA1 ASN 1248 HB2 -0.03 0.13 0.05 -0.04 2.88 2.98 1c0pA1 ASN 1248 HB3 -0.04 -0.03 0.18 -0.04 2.79 2.85 1c0pA1 ASN 1248 HD21 -0.01 0.02 0.00 -0.04 7.03 7.00 1c0pA1 ASN 1248 HD22 -0.02 0.06 0.00 -0.04 7.74 7.75 1c0pA1 PRO 1249 HA -0.10 0.11 0.37 -0.51 4.44 4.31 1c0pA1 PRO 1249 HB2 -0.05 0.05 -0.03 -0.04 2.28 2.21 1c0pA1 PRO 1249 HB3 -0.07 0.08 0.06 -0.04 2.02 2.05 1c0pA1 PRO 1249 HG2 -0.03 -0.01 0.09 -0.04 2.03 2.03 1c0pA1 PRO 1249 HG3 -0.04 0.10 0.08 -0.04 2.03 2.13 1c0pA1 PRO 1249 HD2 -0.03 0.06 0.25 -0.04 3.68 3.91 1c0pA1 PRO 1249 HD3 -0.05 0.35 0.23 -0.04 3.65 4.14 1c0pA1 GLU 1250 H -0.03 0.15 -0.08 -0.55 8.60 8.09 1c0pA1 GLU 1250 HA -0.02 0.12 0.63 -0.75 4.29 4.26 1c0pA1 GLU 1250 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.07 1c0pA1 GLU 1250 HB3 -0.01 0.06 0.02 -0.04 1.99 2.03 1c0pA1 GLU 1250 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 1c0pA1 GLU 1250 HG3 -0.02 -0.05 0.05 -0.04 2.34 2.29 1c0pA1 THR 1251 H -0.03 0.07 -0.29 -0.55 8.28 7.48 1c0pA1 THR 1251 HA -0.02 0.08 0.43 -0.75 4.39 4.12 1c0pA1 THR 1251 HB -0.04 0.12 0.11 -0.04 4.32 4.47 1c0pA1 THR 1251 HG23 -0.04 0.02 -0.09 -0.04 1.22 1.06 1c0pA1 VAL 1252 H -0.05 0.31 -0.23 -0.55 8.24 7.73 1c0pA1 VAL 1252 HA 0.01 0.05 0.35 -0.75 4.13 3.79 1c0pA1 VAL 1252 HB -0.06 0.18 0.14 -0.04 2.12 2.33 1c0pA1 VAL 1252 HG13 0.07 -0.00 -0.16 -0.04 0.97 0.83 1c0pA1 VAL 1252 HG23 -0.19 0.04 -0.01 -0.04 0.95 0.75 1c0pA1 GLN 1253 H -0.02 0.36 -0.18 -0.55 8.47 8.09 1c0pA1 GLN 1253 HA 0.01 0.01 0.40 -0.75 4.36 4.03 1c0pA1 GLN 1253 HB2 -0.00 0.11 0.10 -0.04 2.15 2.31 1c0pA1 GLN 1253 HB3 0.00 -0.04 0.03 -0.04 2.02 1.97 1c0pA1 GLN 1253 HG2 -0.01 0.05 0.13 -0.04 2.40 2.53 1c0pA1 GLN 1253 HG3 -0.01 -0.04 0.03 -0.04 2.39 2.34 1c0pA1 GLN 1253 HE21 -0.03 -0.06 0.00 -0.04 6.97 6.85 1c0pA1 GLN 1253 HE22 -0.03 0.04 -0.01 -0.04 7.69 7.65 1c0pA1 ARG 1254 H 0.00 0.48 -0.11 -0.55 8.46 8.28 1c0pA1 ARG 1254 HA 0.02 0.01 0.45 -0.75 4.34 4.07 1c0pA1 ARG 1254 HB2 0.01 -0.03 0.09 -0.04 1.90 1.94 1c0pA1 ARG 1254 HB3 0.01 0.05 0.13 -0.04 1.80 1.95 1c0pA1 ARG 1254 HG2 0.07 0.04 -0.26 -0.04 1.67 1.47 1c0pA1 ARG 1254 HG3 0.04 -0.05 0.03 -0.04 1.67 1.65 1c0pA1 ARG 1254 HD2 0.06 0.03 0.05 -0.04 3.22 3.32 1c0pA1 ARG 1254 HD3 0.03 -0.04 0.03 -0.04 3.22 3.19 1c0pA1 ILE 1255 H -0.00 0.65 -0.11 -0.55 8.25 8.24 1c0pA1 ILE 1255 HA -0.03 0.10 0.37 -0.75 4.18 3.87 1c0pA1 ILE 1255 HB -0.02 0.07 0.10 -0.04 1.89 1.99 1c0pA1 ILE 1255 HG12 -0.12 0.04 -0.22 -0.04 1.49 1.15 1c0pA1 ILE 1255 HG13 -0.05 0.04 0.01 -0.04 1.21 1.16 1c0pA1 ILE 1255 HG23 -0.09 0.05 -0.32 -0.04 0.93 0.52 1c0pA1 ILE 1255 HD13 -0.09 -0.03 -0.16 -0.04 0.88 0.55 1c0pA1 LEU 1256 H 0.01 0.62 -0.09 -0.55 8.37 8.36 1c0pA1 LEU 1256 HA 0.01 0.03 0.39 -0.75 4.35 4.03 1c0pA1 LEU 1256 HB2 0.02 0.05 0.12 -0.04 1.64 1.79 1c0pA1 LEU 1256 HB3 0.02 -0.06 0.02 -0.04 1.64 1.58 1c0pA1 LEU 1256 HG 0.03 0.16 0.07 -0.04 1.64 1.87 1c0pA1 LEU 1256 HD13 0.05 -0.02 -0.04 -0.04 0.93 0.89 1c0pA1 LEU 1256 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.77 1c0pA1 LYS 1257 H 0.03 0.61 -0.15 -0.55 8.42 8.35 1c0pA1 LYS 1257 HA 0.03 -0.04 0.40 -0.75 4.32 3.95 1c0pA1 LYS 1257 HB2 0.03 0.12 0.17 -0.04 1.87 2.15 1c0pA1 LYS 1257 HB3 0.02 -0.05 0.00 -0.04 1.79 1.72 1c0pA1 LYS 1257 HG2 0.01 -0.09 0.03 -0.04 1.46 1.38 1c0pA1 LYS 1257 HG3 0.02 0.07 0.09 -0.04 1.46 1.60 1c0pA1 LYS 1257 HD2 0.01 0.03 -0.05 -0.04 1.69 1.64 1c0pA1 LYS 1257 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 1c0pA1 LYS 1257 HE2 0.00 -0.05 -0.01 -0.04 2.99 2.90 1c0pA1 LYS 1257 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 1c0pA1 HIS 1258 H 0.12 0.63 -0.15 -0.55 8.41 8.47 1c0pA1 HIS 1258 HA 0.01 -0.02 0.43 -0.75 4.63 4.30 1c0pA1 HIS 1258 HB2 0.00 -0.00 0.10 -0.04 3.26 3.33 1c0pA1 HIS 1258 HB3 -0.00 0.11 0.15 -0.04 3.20 3.41 1c0pA1 HIS 1258 HD2 0.04 -0.07 -0.07 -0.04 6.97 6.82 1c0pA1 HIS 1258 HE1 0.05 0.14 0.06 -0.04 7.75 7.97 1c0pA1 CYS 1259 H 0.05 0.76 -0.01 -0.55 8.50 8.75 1c0pA1 CYS 1259 HA 0.04 -0.02 0.42 -0.75 4.58 4.26 1c0pA1 CYS 1259 HB2 0.00 0.07 0.12 -0.04 2.97 3.12 1c0pA1 CYS 1259 HB3 0.01 -0.05 0.00 -0.04 2.97 2.89 1c0pA1 LEU 1260 H 0.05 0.57 -0.37 -0.55 8.37 8.08 1c0pA1 LEU 1260 HA 0.04 0.06 0.22 -0.75 4.35 3.91 1c0pA1 LEU 1260 HB2 0.03 0.06 0.02 -0.04 1.64 1.71 1c0pA1 LEU 1260 HB3 0.03 0.09 0.04 -0.04 1.64 1.76 1c0pA1 LEU 1260 HG 0.02 0.02 -0.15 -0.04 1.64 1.50 1c0pA1 LEU 1260 HD13 0.02 -0.02 -0.23 -0.04 0.93 0.65 1c0pA1 LEU 1260 HD23 0.02 0.03 -0.10 -0.04 0.89 0.79 1c0pA1 ARG 1261 H 0.07 0.48 -0.20 -0.55 8.46 8.25 1c0pA1 ARG 1261 HA 0.03 -0.01 0.46 -0.75 4.34 4.06 1c0pA1 ARG 1261 HB2 0.08 0.19 0.13 -0.04 1.90 2.25 1c0pA1 ARG 1261 HB3 0.02 -0.07 -0.03 -0.04 1.80 1.68 1c0pA1 ARG 1261 HG2 -0.00 -0.08 0.03 -0.04 1.67 1.58 1c0pA1 ARG 1261 HG3 0.01 0.21 0.06 -0.04 1.67 1.92 1c0pA1 ARG 1261 HD2 -0.05 -0.02 -0.01 -0.04 3.22 3.10 1c0pA1 ARG 1261 HD3 -0.05 -0.08 -0.02 -0.04 3.22 3.03 1c0pA1 LEU 1262 H 0.12 0.40 -0.29 -0.55 8.37 8.06 1c0pA1 LEU 1262 HA 0.12 0.04 0.49 -0.75 4.35 4.24 1c0pA1 LEU 1262 HB2 0.11 0.11 0.07 -0.04 1.64 1.88 1c0pA1 LEU 1262 HB3 0.17 -0.08 -0.03 -0.04 1.64 1.66 1c0pA1 LEU 1262 HG 0.28 0.21 -0.01 -0.04 1.64 2.08 1c0pA1 LEU 1262 HD13 0.05 -0.04 -0.16 -0.04 0.93 0.75 1c0pA1 LEU 1262 HD23 0.30 -0.02 -0.08 -0.04 0.89 1.04 1c0pA1 ASP 1263 H 0.06 0.47 -0.30 -0.55 8.40 8.09 1c0pA1 ASP 1263 HA 0.05 0.13 0.55 -0.75 4.63 4.60 1c0pA1 ASP 1263 HB2 0.06 0.09 -0.37 -0.04 2.71 2.45 1c0pA1 ASP 1263 HB3 0.04 -0.05 0.05 -0.04 2.70 2.71 1c0pA1 PRO 1264 HA 0.02 0.07 0.49 -0.51 4.44 4.51 1c0pA1 PRO 1264 HB2 0.02 -0.01 -0.02 -0.04 2.28 2.22 1c0pA1 PRO 1264 HB3 0.02 0.01 0.13 -0.04 2.02 2.14 1c0pA1 PRO 1264 HG2 0.02 -0.01 0.05 -0.04 2.03 2.04 1c0pA1 PRO 1264 HG3 0.02 0.14 0.07 -0.04 2.03 2.22 1c0pA1 PRO 1264 HD2 0.03 0.05 0.13 -0.04 3.68 3.85 1c0pA1 PRO 1264 HD3 0.03 0.32 -0.07 -0.04 3.65 3.89 1c0pA1 THR 1265 H 0.02 0.14 -0.39 -0.55 8.28 7.50 1c0pA1 THR 1265 HA 0.01 0.18 0.39 -0.75 4.39 4.22 1c0pA1 THR 1265 HB 0.01 0.01 0.09 -0.04 4.32 4.39 1c0pA1 THR 1265 HG23 0.01 0.00 -0.03 -0.04 1.22 1.17 1c0pA1 ILE 1266 H 0.02 0.35 -0.51 -0.55 8.25 7.56 1c0pA1 ILE 1266 HA 0.01 0.04 0.54 -0.75 4.18 4.02 1c0pA1 ILE 1266 HB 0.01 -0.05 0.00 -0.04 1.89 1.81 1c0pA1 ILE 1266 HG12 0.02 0.27 -0.06 -0.04 1.49 1.67 1c0pA1 ILE 1266 HG13 0.01 -0.06 -0.35 -0.04 1.21 0.77 1c0pA1 ILE 1266 HG23 0.02 0.00 -0.07 -0.04 0.93 0.84 1c0pA1 ILE 1266 HD13 0.01 -0.02 -0.20 -0.04 0.88 0.64 1c0pA1 SER 1267 H 0.01 0.40 -0.33 -0.55 8.46 7.99 1c0pA1 SER 1267 HA 0.01 0.18 0.58 -0.75 4.49 4.50 1c0pA1 SER 1267 HB2 0.01 0.08 -0.19 -0.04 3.95 3.81 1c0pA1 SER 1267 HB3 0.01 0.09 0.05 -0.04 3.93 4.05 1c0pA1 SER 1268 H 0.01 0.65 0.23 -0.55 8.46 8.79 1c0pA1 SER 1268 HA 0.00 0.14 0.58 -0.75 4.49 4.46 1c0pA1 SER 1268 HB2 0.00 -0.01 0.08 -0.04 3.95 3.98 1c0pA1 SER 1268 HB3 0.00 0.10 0.21 -0.04 3.93 4.21 1c0pA1 ASP 1269 H 0.01 -0.07 -0.06 -0.55 8.40 7.73 1c0pA1 ASP 1269 HA 0.01 0.30 0.87 -0.75 4.63 5.05 1c0pA1 ASP 1269 HB2 0.00 0.04 0.12 -0.04 2.71 2.83 1c0pA1 ASP 1269 HB3 0.00 0.04 -0.13 -0.04 2.70 2.58 1c0pA1 GLY 1270 H 0.01 0.12 -0.22 -0.55 8.43 7.80 1c0pA1 GLY 1270 HA2 0.01 0.23 0.31 -0.51 4.01 4.05 1c0pA1 GLY 1270 HA3 0.01 0.10 0.41 -0.51 4.01 4.01 1c0pA1 THR 1271 H 0.01 -0.08 -0.16 -0.55 8.28 7.50 1c0pA1 THR 1271 HA 0.01 0.44 1.13 -0.75 4.39 5.22 1c0pA1 THR 1271 HB 0.01 -0.05 0.10 -0.04 4.32 4.34 1c0pA1 THR 1271 HG23 0.01 0.08 -0.19 -0.04 1.22 1.08 1c0pA1 ILE 1272 H 0.01 0.21 0.12 -0.55 8.25 8.04 1c0pA1 ILE 1272 HA 0.01 0.17 0.30 -0.75 4.18 3.91 1c0pA1 ILE 1272 HB 0.01 -0.06 0.02 -0.04 1.89 1.82 1c0pA1 ILE 1272 HG12 0.01 -0.02 0.08 -0.04 1.49 1.53 1c0pA1 ILE 1272 HG13 0.01 0.02 0.01 -0.04 1.21 1.20 1c0pA1 ILE 1272 HG23 0.02 0.02 -0.13 -0.04 0.93 0.80 1c0pA1 ILE 1272 HD13 0.02 0.02 -0.16 -0.04 0.88 0.72 1c0pA1 GLU 1273 H 0.01 0.06 -0.19 -0.55 8.60 7.93 1c0pA1 GLU 1273 HA 0.01 0.15 0.49 -0.75 4.29 4.19 1c0pA1 GLU 1273 HB2 0.01 -0.04 -0.02 -0.04 2.09 1.99 1c0pA1 GLU 1273 HB3 0.01 0.06 0.01 -0.04 1.99 2.02 1c0pA1 GLU 1273 HG2 0.01 0.02 0.01 -0.04 2.34 2.33 1c0pA1 GLU 1273 HG3 0.01 0.04 0.03 -0.04 2.34 2.38 1c0pA1 GLY 1274 H 0.01 0.30 -0.44 -0.55 8.43 7.75 1c0pA1 GLY 1274 HA2 0.01 0.17 0.54 -0.51 4.01 4.22 1c0pA1 GLY 1274 HA3 0.01 -0.24 0.32 -0.51 4.01 3.58 1c0pA1 ILE 1275 H 0.01 0.38 -0.32 -0.55 8.25 7.78 1c0pA1 ILE 1275 HA 0.00 0.13 0.75 -0.75 4.18 4.31 1c0pA1 ILE 1275 HB 0.01 0.09 0.15 -0.04 1.89 2.10 1c0pA1 ILE 1275 HG12 0.01 0.05 -0.27 -0.04 1.49 1.23 1c0pA1 ILE 1275 HG13 0.01 0.01 -0.01 -0.04 1.21 1.17 1c0pA1 ILE 1275 HG23 -0.00 0.01 -0.22 -0.04 0.93 0.67 1c0pA1 ILE 1275 HD13 0.01 -0.01 -0.07 -0.04 0.88 0.77 1c0pA1 GLU 1276 H -0.00 0.30 0.24 -0.55 8.60 8.60 1c0pA1 GLU 1276 HA -0.00 0.08 0.69 -0.75 4.29 4.31 1c0pA1 GLU 1276 HB2 -0.00 0.01 0.17 -0.04 2.09 2.23 1c0pA1 GLU 1276 HB3 -0.00 0.13 0.36 -0.04 1.99 2.43 1c0pA1 GLU 1276 HG2 -0.01 -0.01 -0.19 -0.04 2.34 2.09 1c0pA1 GLU 1276 HG3 -0.00 0.00 0.03 -0.04 2.34 2.33 1c0pA1 VAL 1277 H -0.01 0.24 0.20 -0.55 8.24 8.12 1c0pA1 VAL 1277 HA -0.06 0.11 0.59 -0.75 4.13 4.01 1c0pA1 VAL 1277 HB -0.01 -0.01 0.14 -0.04 2.12 2.19 1c0pA1 VAL 1277 HG13 -0.26 -0.01 -0.20 -0.04 0.97 0.46 1c0pA1 VAL 1277 HG23 0.00 0.04 -0.04 -0.04 0.95 0.92 1c0pA1 LEU 1278 H -0.07 0.68 0.47 -0.55 8.37 8.90 1c0pA1 LEU 1278 HA -0.02 0.16 0.94 -0.75 4.35 4.67 1c0pA1 LEU 1278 HB2 -0.03 0.03 -0.04 -0.04 1.64 1.56 1c0pA1 LEU 1278 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.53 1c0pA1 LEU 1278 HG -0.02 -0.00 -0.09 -0.04 1.64 1.48 1c0pA1 LEU 1278 HD13 -0.01 0.00 -0.20 -0.04 0.93 0.69 1c0pA1 LEU 1278 HD23 -0.01 0.01 -0.05 -0.04 0.89 0.80 1c0pA1 ARG 1279 H -0.14 0.38 0.28 -0.55 8.46 8.43 1c0pA1 ARG 1279 HA -0.04 0.05 0.61 -0.75 4.34 4.20 1c0pA1 ARG 1279 HB2 0.02 0.10 -0.38 -0.04 1.90 1.60 1c0pA1 ARG 1279 HB3 0.03 -0.06 -0.10 -0.04 1.80 1.63 1c0pA1 ARG 1279 HG2 0.10 0.11 -0.10 -0.04 1.67 1.74 1c0pA1 ARG 1279 HG3 0.07 0.00 0.12 -0.04 1.67 1.82 1c0pA1 ARG 1279 HD2 0.09 0.00 -0.05 -0.04 3.22 3.22 1c0pA1 ARG 1279 HD3 0.20 -0.01 -0.10 -0.04 3.22 3.28 1c0pA1 HIS 1280 H 0.05 0.19 0.18 -0.55 8.41 8.28 1c0pA1 HIS 1280 HA 0.00 0.24 1.08 -0.75 4.63 5.19 1c0pA1 HIS 1280 HB2 -0.00 -0.02 0.17 -0.04 3.26 3.36 1c0pA1 HIS 1280 HB3 -0.02 0.00 0.04 -0.04 3.20 3.18 1c0pA1 HIS 1280 HD2 0.00 0.01 -0.02 -0.04 6.97 6.92 1c0pA1 HIS 1280 HE1 -0.01 0.01 -0.03 -0.04 7.75 7.68 1c0pA1 ASN 1281 H 0.04 0.65 0.36 -0.55 8.53 9.04 1c0pA1 ASN 1281 HA -0.11 0.18 0.97 -0.75 4.76 5.05 1c0pA1 ASN 1281 HB2 0.07 -0.05 -0.03 -0.04 2.88 2.83 1c0pA1 ASN 1281 HB3 0.09 0.04 -0.07 -0.04 2.79 2.81 1c0pA1 ASN 1281 HD21 0.06 -0.02 -0.16 -0.04 7.03 6.87 1c0pA1 ASN 1281 HD22 0.08 -0.03 -0.26 -0.04 7.74 7.49 1c0pA1 VAL 1282 H -0.61 0.28 0.17 -0.55 8.24 7.53 1c0pA1 VAL 1282 HA -0.25 0.24 0.88 -0.75 4.13 4.24 1c0pA1 VAL 1282 HB -0.26 0.08 0.06 -0.04 2.12 1.97 1c0pA1 VAL 1282 HG13 -0.15 -0.01 -0.20 -0.04 0.97 0.57 1c0pA1 VAL 1282 HG23 -0.12 -0.01 -0.40 -0.04 0.95 0.39 1c0pA1 GLY 1283 H -0.29 0.65 0.30 -0.55 8.43 8.54 1c0pA1 GLY 1283 HA2 -0.58 0.20 0.83 -0.51 4.01 3.95 1c0pA1 GLY 1283 HA3 -0.38 0.02 0.32 -0.51 4.01 3.45 1c0pA1 LEU 1284 H -0.05 0.25 0.04 -0.55 8.37 8.07 1c0pA1 LEU 1284 HA -0.12 0.14 0.75 -0.75 4.35 4.37 1c0pA1 LEU 1284 HB2 -0.09 -0.04 0.04 -0.04 1.64 1.51 1c0pA1 LEU 1284 HB3 -0.28 -0.02 -0.08 -0.04 1.64 1.21 1c0pA1 LEU 1284 HG -0.06 0.04 -0.17 -0.04 1.64 1.41 1c0pA1 LEU 1284 HD13 -0.09 0.02 -0.05 -0.04 0.93 0.77 1c0pA1 LEU 1284 HD23 -0.12 0.07 -0.29 -0.04 0.89 0.50 1c0pA1 ARG 1285 H -0.04 0.65 0.13 -0.55 8.46 8.65 1c0pA1 ARG 1285 HA 0.07 0.05 0.44 -0.75 4.34 4.15 1c0pA1 ARG 1285 HB2 0.02 -0.09 0.05 -0.04 1.90 1.84 1c0pA1 ARG 1285 HB3 0.07 0.05 -0.22 -0.04 1.80 1.66 1c0pA1 ARG 1285 HG2 0.09 -0.03 -0.07 -0.04 1.67 1.62 1c0pA1 ARG 1285 HG3 0.02 0.15 0.05 -0.04 1.67 1.84 1c0pA1 ARG 1285 HD2 0.10 -0.02 -0.09 -0.04 3.22 3.18 1c0pA1 ARG 1285 HD3 0.12 -0.14 -0.25 -0.04 3.22 2.91 1c0pA1 PRO 1286 HA -0.00 0.22 0.53 -0.51 4.44 4.68 1c0pA1 PRO 1286 HB2 0.14 -0.14 0.19 -0.04 2.28 2.44 1c0pA1 PRO 1286 HB3 0.09 -0.09 0.13 -0.04 2.02 2.11 1c0pA1 PRO 1286 HG2 0.15 -0.08 0.19 -0.04 2.03 2.26 1c0pA1 PRO 1286 HG3 0.12 0.09 0.17 -0.04 2.03 2.37 1c0pA1 PRO 1286 HD2 0.14 0.03 0.21 -0.04 3.68 4.01 1c0pA1 PRO 1286 HD3 0.11 0.17 0.28 -0.04 3.65 4.18 1c0pA1 ALA 1287 H -0.02 0.70 0.30 -0.55 8.40 8.83 1c0pA1 ALA 1287 HA 0.03 0.05 0.60 -0.75 4.34 4.27 1c0pA1 ALA 1287 HB3 -0.00 0.02 -0.05 -0.04 1.41 1.33 1c0pA1 ARG 1288 H -0.01 0.21 0.02 -0.55 8.46 8.13 1c0pA1 ARG 1288 HA 0.03 0.27 0.64 -0.75 4.34 4.52 1c0pA1 ARG 1288 HB2 0.02 -0.10 -0.34 -0.04 1.90 1.44 1c0pA1 ARG 1288 HB3 -0.08 0.08 -0.21 -0.04 1.80 1.55 1c0pA1 ARG 1288 HG2 -0.04 0.27 -0.41 -0.04 1.67 1.46 1c0pA1 ARG 1288 HG3 0.05 -0.13 -0.34 -0.04 1.67 1.20 1c0pA1 ARG 1288 HD2 -0.15 -0.16 -0.18 -0.04 3.22 2.69 1c0pA1 ARG 1288 HD3 -0.24 0.21 -0.13 -0.04 3.22 3.02 1c0pA1 ARG 1289 H 0.01 0.67 0.19 -0.55 8.46 8.77 1c0pA1 ARG 1289 HA -0.01 -0.04 0.59 -0.75 4.34 4.13 1c0pA1 ARG 1289 HB2 0.01 0.01 0.17 -0.04 1.90 2.05 1c0pA1 ARG 1289 HB3 -0.00 -0.00 0.06 -0.04 1.80 1.81 1c0pA1 ARG 1289 HG2 0.00 -0.05 0.04 -0.04 1.67 1.61 1c0pA1 ARG 1289 HG3 0.01 0.11 0.07 -0.04 1.67 1.82 1c0pA1 ARG 1289 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 1c0pA1 ARG 1289 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 1c0pA1 GLY 1290 H -0.02 0.08 0.19 -0.55 8.43 8.13 1c0pA1 GLY 1290 HA2 -0.03 -0.03 0.34 -0.51 4.01 3.78 1c0pA1 GLY 1290 HA3 -0.03 0.16 0.72 -0.51 4.01 4.34 1c0pA1 GLY 1291 H -0.05 0.38 -0.11 -0.55 8.43 8.11 1c0pA1 GLY 1291 HA2 -0.05 -0.05 0.33 -0.51 4.01 3.72 1c0pA1 GLY 1291 HA3 -0.06 0.10 0.52 -0.51 4.01 4.06 1c0pA1 PRO 1292 HA -0.38 0.08 0.44 -0.51 4.44 4.07 1c0pA1 PRO 1292 HB2 -0.36 0.00 -0.26 -0.04 2.28 1.61 1c0pA1 PRO 1292 HB3 -0.93 -0.11 -0.39 -0.04 2.02 0.55 1c0pA1 PRO 1292 HG2 0.21 -0.01 -0.03 -0.04 2.03 2.15 1c0pA1 PRO 1292 HG3 0.07 -0.03 -0.05 -0.04 2.03 1.97 1c0pA1 PRO 1292 HD2 -0.04 0.09 0.18 -0.04 3.68 3.88 1c0pA1 PRO 1292 HD3 -0.04 0.08 0.15 -0.04 3.65 3.80 1c0pA1 ARG 1293 H -0.52 0.64 0.27 -0.55 8.46 8.30 1c0pA1 ARG 1293 HA -0.16 0.19 0.74 -0.75 4.34 4.35 1c0pA1 ARG 1293 HB2 -0.48 0.09 -0.03 -0.04 1.90 1.45 1c0pA1 ARG 1293 HB3 -0.92 -0.15 0.11 -0.04 1.80 0.80 1c0pA1 ARG 1293 HG2 -0.14 -0.04 -0.25 -0.04 1.67 1.20 1c0pA1 ARG 1293 HG3 -0.17 0.07 -0.08 -0.04 1.67 1.45 1c0pA1 ARG 1293 HD2 -0.28 0.02 -0.07 -0.04 3.22 2.85 1c0pA1 ARG 1293 HD3 -0.48 -0.09 -0.06 -0.04 3.22 2.54 1c0pA1 VAL 1294 H 0.02 0.30 -0.06 -0.55 8.24 7.94 1c0pA1 VAL 1294 HA 0.06 0.47 0.80 -0.75 4.13 4.70 1c0pA1 VAL 1294 HB 0.28 -0.02 0.05 -0.04 2.12 2.39 1c0pA1 VAL 1294 HG13 0.08 0.01 -0.11 -0.04 0.97 0.91 1c0pA1 VAL 1294 HG23 -0.06 -0.04 -0.28 -0.04 0.95 0.53 1c0pA1 GLU 1295 H 0.12 0.44 0.20 -0.55 8.60 8.81 1c0pA1 GLU 1295 HA 0.09 0.08 0.54 -0.75 4.29 4.24 1c0pA1 GLU 1295 HB2 0.08 0.03 0.10 -0.04 2.09 2.26 1c0pA1 GLU 1295 HB3 0.06 0.14 -0.12 -0.04 1.99 2.03 1c0pA1 GLU 1295 HG2 0.10 -0.14 -0.21 -0.04 2.34 2.05 1c0pA1 GLU 1295 HG3 0.18 0.04 -0.31 -0.04 2.34 2.21 1c0pA1 ALA 1296 H 0.09 0.20 0.19 -0.55 8.40 8.33 1c0pA1 ALA 1296 HA 0.05 0.23 1.08 -0.75 4.34 4.95 1c0pA1 ALA 1296 HB3 0.09 0.01 0.01 -0.04 1.41 1.48 1c0pA1 GLU 1297 H 0.02 0.72 0.41 -0.55 8.60 9.21 1c0pA1 GLU 1297 HA 0.04 0.11 0.85 -0.75 4.29 4.54 1c0pA1 GLU 1297 HB2 0.20 -0.03 -0.05 -0.04 2.09 2.17 1c0pA1 GLU 1297 HB3 0.08 -0.01 0.13 -0.04 1.99 2.16 1c0pA1 GLU 1297 HG2 0.04 0.07 -0.24 -0.04 2.34 2.17 1c0pA1 GLU 1297 HG3 0.07 0.00 0.05 -0.04 2.34 2.42 1c0pA1 ARG 1298 H -0.04 0.16 0.19 -0.55 8.46 8.22 1c0pA1 ARG 1298 HA -0.16 0.34 1.12 -0.75 4.34 4.89 1c0pA1 ARG 1298 HB2 -0.15 -0.04 0.15 -0.04 1.90 1.82 1c0pA1 ARG 1298 HB3 -0.24 0.03 0.01 -0.04 1.80 1.56 1c0pA1 ARG 1298 HG2 -0.31 -0.09 -0.20 -0.04 1.67 1.03 1c0pA1 ARG 1298 HG3 -0.60 0.01 -0.04 -0.04 1.67 0.99 1c0pA1 ARG 1298 HD2 -0.38 0.19 -0.07 -0.04 3.22 2.93 1c0pA1 ARG 1298 HD3 -1.10 -0.03 -0.13 -0.04 3.22 1.92 1c0pA1 ILE 1299 H -0.15 0.70 0.33 -0.55 8.25 8.57 1c0pA1 ILE 1299 HA -0.07 0.14 0.94 -0.75 4.18 4.43 1c0pA1 ILE 1299 HB -0.15 -0.03 -0.08 -0.04 1.89 1.59 1c0pA1 ILE 1299 HG12 -0.00 0.08 -0.12 -0.04 1.49 1.41 1c0pA1 ILE 1299 HG13 -0.02 -0.09 -0.60 -0.04 1.21 0.46 1c0pA1 ILE 1299 HG23 -0.07 0.00 -0.19 -0.04 0.93 0.64 1c0pA1 ILE 1299 HD13 0.07 -0.00 -0.09 -0.04 0.88 0.82 1c0pA1 VAL 1300 H -0.07 0.15 0.16 -0.55 8.24 7.92 1c0pA1 VAL 1300 HA -0.11 0.29 1.01 -0.75 4.13 4.56 1c0pA1 VAL 1300 HB -0.05 -0.04 0.09 -0.04 2.12 2.08 1c0pA1 VAL 1300 HG13 -0.05 0.03 -0.14 -0.04 0.97 0.76 1c0pA1 VAL 1300 HG23 -0.06 -0.01 -0.06 -0.04 0.95 0.78 1c0pA1 LEU 1301 H -0.11 0.83 0.40 -0.55 8.37 8.95 1c0pA1 LEU 1301 HA -0.07 0.06 0.64 -0.75 4.35 4.23 1c0pA1 LEU 1301 HB2 -0.12 0.05 0.04 -0.04 1.64 1.57 1c0pA1 LEU 1301 HB3 -0.06 -0.08 0.00 -0.04 1.64 1.45 1c0pA1 LEU 1301 HG -0.26 0.07 -0.39 -0.04 1.64 1.02 1c0pA1 LEU 1301 HD13 -0.30 0.01 -0.12 -0.04 0.93 0.47 1c0pA1 LEU 1301 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.69 1c0pA1 PRO 1302 HA -0.03 -0.06 0.35 -0.51 4.44 4.19 1c0pA1 PRO 1302 HB2 -0.01 0.18 -0.14 -0.04 2.28 2.26 1c0pA1 PRO 1302 HB3 -0.01 -0.04 0.05 -0.04 2.02 1.98 1c0pA1 PRO 1302 HG2 -0.01 -0.03 -0.06 -0.04 2.03 1.88 1c0pA1 PRO 1302 HG3 -0.01 -0.02 0.01 -0.04 2.03 1.97 1c0pA1 PRO 1302 HD2 -0.02 0.28 0.03 -0.04 3.68 3.92 1c0pA1 PRO 1302 HD3 -0.03 -0.09 0.24 -0.04 3.65 3.73 1c0pA1 LEU 1303 H -0.01 -0.05 0.11 -0.55 8.37 7.88 1c0pA1 LEU 1303 HA -0.02 0.18 0.52 -0.75 4.35 4.29 1c0pA1 LEU 1303 HB2 0.00 -0.07 -0.02 -0.04 1.64 1.51 1c0pA1 LEU 1303 HB3 0.00 0.05 0.06 -0.04 1.64 1.71 1c0pA1 LEU 1303 HG 0.00 -0.11 0.06 -0.04 1.64 1.55 1c0pA1 LEU 1303 HD13 0.02 -0.03 -0.20 -0.04 0.93 0.68 1c0pA1 LEU 1303 HD23 -0.01 0.08 0.01 -0.04 0.89 0.93 1c0pA1 ASP 1304 H -0.01 0.12 0.22 -0.55 8.40 8.19 1c0pA1 ASP 1304 HA -0.00 0.24 0.54 -0.75 4.63 4.65 1c0pA1 ASP 1304 HB2 -0.01 -0.00 0.12 -0.04 2.71 2.79 1c0pA1 ASP 1304 HB3 -0.01 0.17 -0.06 -0.04 2.70 2.75 1c0pA1 ARG 1305 H -0.00 0.37 0.13 -0.55 8.46 8.40 1c0pA1 ARG 1305 HA 0.00 0.24 0.32 -0.75 4.34 4.15 1c0pA1 ARG 1305 HB2 -0.00 0.02 0.12 -0.04 1.90 2.00 1c0pA1 ARG 1305 HB3 -0.00 0.09 0.12 -0.04 1.80 1.96 1c0pA1 ARG 1305 HG2 -0.00 -0.08 0.04 -0.04 1.67 1.60 1c0pA1 ARG 1305 HG3 0.00 -0.00 -0.03 -0.04 1.67 1.60 1c0pA1 ARG 1305 HD2 0.00 0.05 0.09 -0.04 3.22 3.31 1c0pA1 ARG 1305 HD3 0.00 0.20 0.16 -0.04 3.22 3.55 1c0pA1 THR 1306 H -0.00 0.05 -0.27 -0.55 8.28 7.51 1c0pA1 THR 1306 HA -0.00 0.12 0.52 -0.75 4.39 4.27 1c0pA1 THR 1306 HB -0.00 0.03 0.05 -0.04 4.32 4.37 1c0pA1 THR 1306 HG23 -0.00 0.01 0.02 -0.04 1.22 1.20 1c0pA1 LYS 1307 H -0.00 0.17 -0.20 -0.55 8.42 7.84 1c0pA1 LYS 1307 HA 0.00 0.15 0.61 -0.75 4.32 4.33 1c0pA1 LYS 1307 HB2 -0.00 0.02 0.11 -0.04 1.87 1.96 1c0pA1 LYS 1307 HB3 -0.00 -0.14 0.20 -0.04 1.79 1.80 1c0pA1 LYS 1307 HG2 0.00 -0.02 0.04 -0.04 1.46 1.45 1c0pA1 LYS 1307 HG3 0.01 -0.09 -0.25 -0.04 1.46 1.09 1c0pA1 LYS 1307 HD2 0.02 0.02 0.10 -0.04 1.69 1.79 1c0pA1 LYS 1307 HD3 0.01 0.01 0.08 -0.04 1.68 1.74 1c0pA1 LYS 1307 HE2 0.02 -0.05 0.05 -0.04 2.99 2.97 1c0pA1 LYS 1307 HE3 0.04 0.11 0.05 -0.04 2.99 3.14 1c0pA1 SER 1308 H 0.00 0.32 -0.19 -0.55 8.46 8.05 1c0pA1 SER 1308 HA 0.01 0.28 0.89 -0.75 4.49 4.92 1c0pA1 SER 1308 HB2 0.02 0.01 -0.26 -0.04 3.95 3.68 1c0pA1 SER 1308 HB3 0.01 0.00 -0.03 -0.04 3.93 3.87 1c0pA1 PRO 1309 HA 0.00 0.15 0.49 -0.51 4.44 4.57 1c0pA1 PRO 1309 HB2 0.00 0.01 -0.05 -0.04 2.28 2.21 1c0pA1 PRO 1309 HB3 0.00 0.03 0.11 -0.04 2.02 2.12 1c0pA1 PRO 1309 HG2 0.01 0.05 0.08 -0.04 2.03 2.13 1c0pA1 PRO 1309 HG3 0.01 0.08 0.07 -0.04 2.03 2.14 1c0pA1 PRO 1309 HD2 0.01 0.05 0.19 -0.04 3.68 3.89 1c0pA1 PRO 1309 HD3 0.01 0.25 0.15 -0.04 3.65 4.02 1c0pA1 LEU 1310 H 0.01 0.02 -0.34 -0.55 8.37 7.51 1c0pA1 LEU 1310 HA 0.00 0.21 0.71 -0.75 4.35 4.52 1c0pA1 LEU 1310 HB2 0.01 -0.13 -0.04 -0.04 1.64 1.44 1c0pA1 LEU 1310 HB3 0.00 0.05 0.12 -0.04 1.64 1.77 1c0pA1 LEU 1310 HG 0.01 -0.06 -0.07 -0.04 1.64 1.48 1c0pA1 LEU 1310 HD13 0.00 0.01 -0.08 -0.04 0.93 0.83 1c0pA1 LEU 1310 HD23 -0.00 0.03 -0.15 -0.04 0.89 0.73 1c0pA1 SER 1311 H 0.00 0.41 -0.41 -0.55 8.46 7.92 1c0pA1 SER 1311 HA 0.01 -0.12 0.22 -0.75 4.49 3.85 1c0pA1 SER 1311 HB2 0.00 -0.00 -0.22 -0.04 3.95 3.69 1c0pA1 SER 1311 HB3 0.00 -0.02 -0.16 -0.04 3.93 3.71 1c0pA1 LEU 1312 H 0.01 -0.04 0.10 -0.55 8.37 7.89 1c0pA1 LEU 1312 HA 0.00 0.20 0.60 -0.75 4.35 4.40 1c0pA1 LEU 1312 HB2 0.01 -0.06 0.03 -0.04 1.64 1.57 1c0pA1 LEU 1312 HB3 0.00 -0.04 0.09 -0.04 1.64 1.65 1c0pA1 LEU 1312 HG 0.01 -0.04 0.02 -0.04 1.64 1.59 1c0pA1 LEU 1312 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 1c0pA1 LEU 1312 HD23 0.00 0.05 -0.06 -0.04 0.89 0.84 1c0pA1 GLY 1313 H 0.00 0.08 0.11 -0.55 8.43 8.08 1c0pA1 GLY 1313 HA2 0.00 -0.01 0.32 -0.51 4.01 3.81 1c0pA1 GLY 1313 HA3 0.00 0.12 0.70 -0.51 4.01 4.31 1c0pA1 ARG 1314 H -0.00 0.09 0.12 -0.55 8.46 8.11 1c0pA1 ARG 1314 HA -0.00 0.16 0.66 -0.75 4.34 4.40 1c0pA1 ARG 1314 HB2 -0.00 -0.04 0.12 -0.04 1.90 1.94 1c0pA1 ARG 1314 HB3 -0.00 -0.07 0.06 -0.04 1.80 1.74 1c0pA1 ARG 1314 HG2 -0.00 0.07 0.01 -0.04 1.67 1.70 1c0pA1 ARG 1314 HG3 -0.00 -0.03 0.04 -0.04 1.67 1.64 1c0pA1 ARG 1314 HD2 -0.00 -0.00 0.01 -0.04 3.22 3.19 1c0pA1 ARG 1314 HD3 -0.00 0.01 0.01 -0.04 3.22 3.20 1c0pA1 GLY 1315 H -0.00 0.20 0.14 -0.55 8.43 8.23 1c0pA1 GLY 1315 HA2 -0.00 0.05 0.42 -0.51 4.01 3.97 1c0pA1 GLY 1315 HA3 -0.00 0.06 0.34 -0.51 4.01 3.90 1c0pA1 SER 1316 H -0.00 -0.05 -0.41 -0.55 8.46 7.45 1c0pA1 SER 1316 HA -0.00 0.07 0.25 -0.75 4.49 4.06 1c0pA1 SER 1316 HB2 -0.00 0.04 0.05 -0.04 3.95 3.99 1c0pA1 SER 1316 HB3 -0.00 -0.03 0.06 -0.04 3.93 3.92 1c0pA1 ALA 1317 H -0.00 0.26 -0.36 -0.55 8.40 7.75 1c0pA1 ALA 1317 HA -0.00 -0.02 0.55 -0.75 4.34 4.12 1c0pA1 ALA 1317 HB3 -0.00 0.00 0.07 -0.04 1.41 1.44 1c0pA1 ARG 1318 H -0.01 -0.18 0.20 -0.55 8.46 7.92 1c0pA1 ARG 1318 HA -0.01 0.06 0.37 -0.75 4.34 4.01 1c0pA1 ARG 1318 HB2 -0.01 -0.05 -0.15 -0.04 1.90 1.66 1c0pA1 ARG 1318 HB3 -0.01 0.05 -0.02 -0.04 1.80 1.78 1c0pA1 ARG 1318 HG2 -0.01 -0.06 0.05 -0.04 1.67 1.61 1c0pA1 ARG 1318 HG3 -0.01 0.02 0.31 -0.04 1.67 1.95 1c0pA1 ARG 1318 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.14 1c0pA1 ARG 1318 HD3 -0.00 0.09 -0.37 -0.04 3.22 2.90 1c0pA1 ALA 1319 H -0.01 -0.21 0.19 -0.55 8.40 7.83 1c0pA1 ALA 1319 HA -0.01 0.11 0.30 -0.75 4.34 3.99 1c0pA1 ALA 1319 HB3 -0.01 0.03 0.19 -0.04 1.41 1.58 1c0pA1 ALA 1320 H -0.01 -0.10 0.11 -0.55 8.40 7.86 1c0pA1 ALA 1320 HA -0.01 0.01 0.27 -0.75 4.34 3.86 1c0pA1 ALA 1320 HB3 -0.01 -0.02 0.08 -0.04 1.41 1.42 1c0pA1 LYS 1321 H -0.01 -0.01 0.13 -0.55 8.42 7.97 1c0pA1 LYS 1321 HA -0.01 0.02 0.22 -0.75 4.32 3.80 1c0pA1 LYS 1321 HB2 -0.01 -0.09 0.17 -0.04 1.87 1.90 1c0pA1 LYS 1321 HB3 -0.01 0.09 0.01 -0.04 1.79 1.84 1c0pA1 LYS 1321 HG2 -0.01 -0.04 0.06 -0.04 1.46 1.42 1c0pA1 LYS 1321 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 1c0pA1 LYS 1321 HD2 -0.01 0.02 -0.03 -0.04 1.69 1.63 1c0pA1 LYS 1321 HD3 -0.01 0.08 -0.02 -0.04 1.68 1.69 1c0pA1 LYS 1321 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 1c0pA1 LYS 1321 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.91 1c0pA1 GLU 1322 H -0.02 -0.07 0.08 -0.55 8.60 8.04 1c0pA1 GLU 1322 HA -0.04 0.49 0.67 -0.75 4.29 4.67 1c0pA1 GLU 1322 HB2 -0.02 0.53 0.73 -0.04 2.09 3.29 1c0pA1 GLU 1322 HB3 -0.03 -0.11 0.13 -0.04 1.99 1.94 1c0pA1 GLU 1322 HG2 -0.03 -0.03 -0.09 -0.04 2.34 2.15 1c0pA1 GLU 1322 HG3 -0.02 0.20 -0.05 -0.04 2.34 2.43 1c0pA1 LYS 1323 H -0.06 0.59 0.42 -0.55 8.42 8.81 1c0pA1 LYS 1323 HA -0.05 0.16 0.83 -0.75 4.32 4.50 1c0pA1 LYS 1323 HB2 -0.05 0.10 0.06 -0.04 1.87 1.94 1c0pA1 LYS 1323 HB3 -0.04 0.02 -0.07 -0.04 1.79 1.66 1c0pA1 LYS 1323 HG2 -0.06 -0.09 -0.00 -0.04 1.46 1.26 1c0pA1 LYS 1323 HG3 -0.12 -0.01 -0.19 -0.04 1.46 1.10 1c0pA1 LYS 1323 HD2 -0.03 0.08 -0.08 -0.04 1.69 1.62 1c0pA1 LYS 1323 HD3 -0.02 -0.01 -0.07 -0.04 1.68 1.55 1c0pA1 LYS 1323 HE2 -0.02 -0.08 -0.06 -0.04 2.99 2.80 1c0pA1 LYS 1323 HE3 -0.07 -0.09 -0.06 -0.04 2.99 2.73 1c0pA1 GLU 1324 H -0.08 0.21 0.22 -0.55 8.60 8.40 1c0pA1 GLU 1324 HA -0.14 0.28 1.10 -0.75 4.29 4.77 1c0pA1 GLU 1324 HB2 -0.10 -0.04 0.02 -0.04 2.09 1.93 1c0pA1 GLU 1324 HB3 -0.12 0.03 0.08 -0.04 1.99 1.93 1c0pA1 GLU 1324 HG2 -0.20 0.06 -0.12 -0.04 2.34 2.03 1c0pA1 GLU 1324 HG3 -0.14 -0.04 -0.25 -0.04 2.34 1.87 1c0pA1 VAL 1325 H -0.22 0.63 0.38 -0.55 8.24 8.47 1c0pA1 VAL 1325 HA -0.06 0.24 0.90 -0.75 4.13 4.46 1c0pA1 VAL 1325 HB -0.37 0.14 0.06 -0.04 2.12 1.91 1c0pA1 VAL 1325 HG13 -0.23 -0.02 -0.25 -0.04 0.97 0.43 1c0pA1 VAL 1325 HG23 -1.06 -0.01 -0.17 -0.04 0.95 -0.33 1c0pA1 THR 1326 H 0.17 0.68 0.40 -0.55 8.28 8.97 1c0pA1 THR 1326 HA -0.03 0.27 1.12 -0.75 4.39 5.00 1c0pA1 THR 1326 HB 0.22 -0.04 0.17 -0.04 4.32 4.63 1c0pA1 THR 1326 HG23 0.12 -0.01 -0.18 -0.04 1.22 1.10 1c0pA1 LEU 1327 H 0.02 0.77 0.35 -0.55 8.37 8.97 1c0pA1 LEU 1327 HA 0.08 0.22 0.95 -0.75 4.35 4.85 1c0pA1 LEU 1327 HB2 0.19 -0.01 -0.11 -0.04 1.64 1.68 1c0pA1 LEU 1327 HB3 -0.04 -0.01 0.13 -0.04 1.64 1.68 1c0pA1 LEU 1327 HG -0.46 -0.04 -0.24 -0.04 1.64 0.86 1c0pA1 LEU 1327 HD13 0.03 0.03 -0.11 -0.04 0.93 0.83 1c0pA1 LEU 1327 HD23 0.12 -0.01 -0.11 -0.04 0.89 0.85 1c0pA1 VAL 1328 H -0.06 0.78 0.33 -0.55 8.24 8.74 1c0pA1 VAL 1328 HA -0.04 0.19 1.01 -0.75 4.13 4.54 1c0pA1 VAL 1328 HB -0.03 -0.05 0.15 -0.04 2.12 2.15 1c0pA1 VAL 1328 HG13 0.01 0.02 -0.16 -0.04 0.97 0.79 1c0pA1 VAL 1328 HG23 0.03 0.01 -0.20 -0.04 0.95 0.75 1c0pA1 HIS 1329 H -0.01 0.66 0.33 -0.55 8.41 8.84 1c0pA1 HIS 1329 HA 0.17 0.00 0.65 -0.75 4.63 4.70 1c0pA1 HIS 1329 HB2 0.03 -0.05 0.02 -0.04 3.26 3.22 1c0pA1 HIS 1329 HB3 0.10 -0.02 -0.01 -0.04 3.20 3.23 1c0pA1 HIS 1329 HD2 0.07 0.05 -0.08 -0.04 6.97 6.96 1c0pA1 HIS 1329 HE1 0.12 0.01 -0.05 -0.04 7.75 7.79 1c0pA1 ALA 1330 H 0.34 0.50 0.21 -0.55 8.40 8.90 1c0pA1 ALA 1330 HA 0.11 0.24 0.67 -0.75 4.34 4.61 1c0pA1 ALA 1330 HB3 0.08 -0.01 -0.07 -0.04 1.41 1.37 1c0pA1 TYR 1331 H -0.23 0.63 0.26 -0.55 8.29 8.40 1c0pA1 TYR 1331 HA 0.25 -0.02 0.72 -0.75 4.56 4.76 1c0pA1 TYR 1331 HB2 0.08 -0.10 0.17 -0.04 3.06 3.17 1c0pA1 TYR 1331 HB3 0.11 -0.03 -0.07 -0.04 2.98 2.95 1c0pA1 TYR 1331 HD2 0.07 0.01 -0.13 -0.04 7.15 7.06 1c0pA1 TYR 1331 HE2 0.01 0.03 -0.08 -0.04 6.85 6.78 1c0pA1 GLY 1332 H 0.22 0.02 0.15 -0.55 8.43 8.28 1c0pA1 GLY 1332 HA2 0.06 0.12 -0.03 -0.51 4.01 3.65 1c0pA1 GLY 1332 HA3 -0.16 0.22 0.50 -0.51 4.01 4.07 1c0pA1 PHE 1333 H 0.25 -0.01 0.11 -0.55 8.34 8.14 1c0pA1 PHE 1333 HA 0.09 0.21 0.29 -0.75 4.62 4.45 1c0pA1 PHE 1333 HB2 0.05 -0.06 0.01 -0.04 3.15 3.11 1c0pA1 PHE 1333 HB3 0.07 -0.05 -0.15 -0.04 3.06 2.89 1c0pA1 PHE 1333 HD2 0.06 -0.05 -0.13 -0.04 7.28 7.11 1c0pA1 PHE 1333 HE2 -0.49 0.07 -0.43 -0.04 7.38 6.49 1c0pA1 PHE 1333 HZ -0.39 0.09 -0.22 -0.04 7.32 6.76 1c0pA1 SER 1334 H 0.13 0.59 -0.20 -0.55 8.46 8.44 1c0pA1 SER 1334 HA 0.07 0.02 -0.11 -0.75 4.49 3.72 1c0pA1 SER 1334 HB2 0.03 0.04 -0.17 -0.04 3.95 3.81 1c0pA1 SER 1334 HB3 0.07 0.12 -0.27 -0.04 3.93 3.81 1c0pA1 SER 1335 H 0.06 0.20 0.13 -0.55 8.46 8.30 1c0pA1 SER 1335 HA 0.14 0.11 0.55 -0.75 4.49 4.54 1c0pA1 SER 1335 HB2 -0.01 0.06 0.15 -0.04 3.95 4.10 1c0pA1 SER 1335 HB3 0.09 0.03 0.06 -0.04 3.93 4.07 1c0pA1 ALA 1336 H 0.21 0.47 -0.42 -0.55 8.40 8.12 1c0pA1 ALA 1336 HA 0.24 0.21 0.89 -0.75 4.34 4.93 1c0pA1 ALA 1336 HB3 0.25 0.04 -0.04 -0.04 1.41 1.63 1c0pA1 GLY 1337 H 0.21 0.23 -0.16 -0.55 8.43 8.16 1c0pA1 GLY 1337 HA2 -0.03 0.08 0.22 -0.51 4.01 3.77 1c0pA1 GLY 1337 HA3 0.05 -0.00 0.21 -0.51 4.01 3.75 1c0pA1 TYR 1338 H 0.36 0.13 -0.18 -0.55 8.29 8.05 1c0pA1 TYR 1338 HA 0.18 0.10 0.54 -0.75 4.56 4.62 1c0pA1 TYR 1338 HB2 0.22 -0.00 0.02 -0.04 3.06 3.25 1c0pA1 TYR 1338 HB3 0.47 0.13 -0.15 -0.04 2.98 3.38 1c0pA1 TYR 1338 HD2 0.03 0.01 -0.05 -0.04 7.15 7.10 1c0pA1 TYR 1338 HE2 0.12 0.05 -0.01 -0.04 6.85 6.96 1c0pA1 GLN 1339 H 0.21 0.09 -0.21 -0.55 8.47 8.01 1c0pA1 GLN 1339 HA -0.33 0.12 0.26 -0.75 4.36 3.65 1c0pA1 GLN 1339 HB2 -0.52 -0.00 0.07 -0.04 2.15 1.65 1c0pA1 GLN 1339 HB3 -0.01 0.18 0.09 -0.04 2.02 2.25 1c0pA1 GLN 1339 HG2 0.04 -0.12 0.04 -0.04 2.40 2.32 1c0pA1 GLN 1339 HG3 -0.15 0.03 -0.18 -0.04 2.39 2.05 1c0pA1 GLN 1339 HE21 -0.73 0.51 -0.20 -0.04 6.97 6.51 1c0pA1 GLN 1339 HE22 -0.26 -0.08 -0.11 -0.04 7.69 7.21 1c0pA1 GLN 1340 H 0.05 0.30 -0.52 -0.55 8.47 7.75 1c0pA1 GLN 1340 HA 0.17 0.20 0.61 -0.75 4.36 4.59 1c0pA1 GLN 1340 HB2 0.12 0.08 -0.07 -0.04 2.15 2.24 1c0pA1 GLN 1340 HB3 0.30 -0.10 -0.03 -0.04 2.02 2.16 1c0pA1 GLN 1340 HG2 0.38 0.04 -0.02 -0.04 2.40 2.76 1c0pA1 GLN 1340 HG3 0.15 -0.02 -0.20 -0.04 2.39 2.28 1c0pA1 GLN 1340 HE21 0.22 -0.01 -0.05 -0.04 6.97 7.09 1c0pA1 GLN 1340 HE22 0.13 0.01 -0.06 -0.04 7.69 7.73 1c0pA1 SER 1341 H -0.01 0.48 -0.32 -0.55 8.46 8.06 1c0pA1 SER 1341 HA -0.34 -0.05 0.10 -0.75 4.49 3.44 1c0pA1 SER 1341 HB2 0.00 -0.02 -0.07 -0.04 3.95 3.82 1c0pA1 SER 1341 HB3 -0.10 0.17 0.16 -0.04 3.93 4.12 1c0pA1 TRP 1342 H 0.22 0.19 -0.17 -0.55 7.97 7.67 1c0pA1 TRP 1342 HA -0.02 0.10 0.43 -0.75 4.62 4.38 1c0pA1 TRP 1342 HB2 0.07 0.03 0.04 -0.04 3.23 3.33 1c0pA1 TRP 1342 HB3 -0.01 -0.01 -0.06 -0.04 3.23 3.12 1c0pA1 TRP 1342 HD1 0.04 0.01 -0.25 -0.04 7.22 6.98 1c0pA1 TRP 1342 HE1 0.05 0.04 -0.07 -0.04 10.20 10.17 1c0pA1 TRP 1342 HE3 0.11 -0.07 -0.06 -0.04 7.59 7.54 1c0pA1 TRP 1342 HZ2 0.03 0.05 -0.05 -0.04 7.44 7.42 1c0pA1 TRP 1342 HZ3 0.02 -0.01 -0.04 -0.04 7.13 7.07 1c0pA1 TRP 1342 HH2 0.01 0.05 -0.08 -0.04 7.19 7.12 1c0pA1 GLY 1343 H 0.18 0.21 -0.12 -0.55 8.43 8.15 1c0pA1 GLY 1343 HA2 0.09 0.07 0.45 -0.51 4.01 4.11 1c0pA1 GLY 1343 HA3 0.26 0.07 0.35 -0.51 4.01 4.18 1c0pA1 ALA 1344 H -0.43 0.65 -0.18 -0.55 8.40 7.89 1c0pA1 ALA 1344 HA -1.36 0.02 0.43 -0.75 4.34 2.68 1c0pA1 ALA 1344 HB3 -0.97 0.00 -0.04 -0.04 1.41 0.36 1c0pA1 ALA 1345 H -0.38 0.58 -0.20 -0.55 8.40 7.86 1c0pA1 ALA 1345 HA -0.28 -0.04 0.39 -0.75 4.34 3.65 1c0pA1 ALA 1345 HB3 -0.45 0.05 -0.10 -0.04 1.41 0.87 1c0pA1 GLU 1346 H -0.35 0.48 -0.28 -0.55 8.60 7.90 1c0pA1 GLU 1346 HA -0.23 0.04 0.42 -0.75 4.29 3.77 1c0pA1 GLU 1346 HB2 -0.06 0.14 0.15 -0.04 2.09 2.28 1c0pA1 GLU 1346 HB3 -0.04 -0.04 -0.02 -0.04 1.99 1.85 1c0pA1 GLU 1346 HG2 -0.21 -0.01 0.00 -0.04 2.34 2.08 1c0pA1 GLU 1346 HG3 -0.54 0.19 0.03 -0.04 2.34 1.98 1c0pA1 ASP 1347 H -0.10 0.48 -0.20 -0.55 8.40 8.03 1c0pA1 ASP 1347 HA 0.05 0.03 0.49 -0.75 4.63 4.44 1c0pA1 ASP 1347 HB2 0.06 0.10 0.14 -0.04 2.71 2.98 1c0pA1 ASP 1347 HB3 0.15 -0.03 -0.03 -0.04 2.70 2.75 1c0pA1 VAL 1348 H -0.14 0.58 -0.09 -0.55 8.24 8.05 1c0pA1 VAL 1348 HA -0.03 -0.01 0.40 -0.75 4.13 3.74 1c0pA1 VAL 1348 HB -0.16 0.12 0.14 -0.04 2.12 2.18 1c0pA1 VAL 1348 HG13 -0.10 -0.02 -0.19 -0.04 0.97 0.62 1c0pA1 VAL 1348 HG23 -0.10 0.04 -0.07 -0.04 0.95 0.79 1c0pA1 ALA 1349 H -0.13 0.63 -0.21 -0.55 8.40 8.14 1c0pA1 ALA 1349 HA -0.13 -0.00 0.34 -0.75 4.34 3.79 1c0pA1 ALA 1349 HB3 -0.12 0.03 0.03 -0.04 1.41 1.31 1c0pA1 GLN 1350 H -0.03 0.52 -0.20 -0.55 8.47 8.21 1c0pA1 GLN 1350 HA 0.02 0.05 0.53 -0.75 4.36 4.20 1c0pA1 GLN 1350 HB2 0.02 0.05 0.10 -0.04 2.15 2.28 1c0pA1 GLN 1350 HB3 0.03 0.08 0.12 -0.04 2.02 2.22 1c0pA1 GLN 1350 HG2 0.04 -0.02 -0.02 -0.04 2.40 2.35 1c0pA1 GLN 1350 HG3 0.04 -0.03 -0.20 -0.04 2.39 2.17 1c0pA1 GLN 1350 HE21 0.04 0.03 -0.01 -0.04 6.97 6.98 1c0pA1 GLN 1350 HE22 0.04 -0.04 0.00 -0.04 7.69 7.65 1c0pA1 LEU 1351 H 0.02 0.56 -0.17 -0.55 8.37 8.24 1c0pA1 LEU 1351 HA 0.06 -0.01 0.45 -0.75 4.35 4.10 1c0pA1 LEU 1351 HB2 0.02 0.19 0.11 -0.04 1.64 1.93 1c0pA1 LEU 1351 HB3 0.06 -0.10 -0.06 -0.04 1.64 1.50 1c0pA1 LEU 1351 HG 0.05 0.18 0.03 -0.04 1.64 1.86 1c0pA1 LEU 1351 HD13 0.06 -0.02 -0.23 -0.04 0.93 0.70 1c0pA1 LEU 1351 HD23 0.07 -0.02 0.00 -0.04 0.89 0.90 1c0pA1 VAL 1352 H -0.01 0.54 -0.21 -0.55 8.24 8.01 1c0pA1 VAL 1352 HA 0.12 -0.02 0.38 -0.75 4.13 3.85 1c0pA1 VAL 1352 HB -0.19 0.13 0.10 -0.04 2.12 2.12 1c0pA1 VAL 1352 HG13 -0.39 -0.00 -0.17 -0.04 0.97 0.37 1c0pA1 VAL 1352 HG23 -0.11 0.03 -0.09 -0.04 0.95 0.74 1c0pA1 ASP 1353 H 0.05 0.61 -0.10 -0.55 8.40 8.42 1c0pA1 ASP 1353 HA 0.22 0.05 0.38 -0.75 4.63 4.52 1c0pA1 ASP 1353 HB2 0.07 0.09 0.19 -0.04 2.71 3.02 1c0pA1 ASP 1353 HB3 0.08 -0.05 -0.02 -0.04 2.70 2.67 1c0pA1 GLU 1354 H 0.09 0.57 -0.22 -0.55 8.60 8.49 1c0pA1 GLU 1354 HA 0.05 0.01 0.41 -0.75 4.29 4.01 1c0pA1 GLU 1354 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 1c0pA1 GLU 1354 HB3 0.06 0.05 0.13 -0.04 1.99 2.20 1c0pA1 GLU 1354 HG2 0.02 -0.03 -0.02 -0.04 2.34 2.27 1c0pA1 GLU 1354 HG3 -0.01 -0.01 -0.14 -0.04 2.34 2.14 1c0pA1 ALA 1355 H 0.16 0.71 -0.08 -0.55 8.40 8.64 1c0pA1 ALA 1355 HA 0.09 -0.03 0.42 -0.75 4.34 4.06 1c0pA1 ALA 1355 HB3 0.31 0.01 0.04 -0.04 1.41 1.74 1c0pA1 PHE 1356 H 0.43 0.63 -0.28 -0.55 8.34 8.56 1c0pA1 PHE 1356 HA 0.37 -0.05 0.35 -0.75 4.62 4.54 1c0pA1 PHE 1356 HB2 0.19 0.11 0.13 -0.04 3.15 3.54 1c0pA1 PHE 1356 HB3 0.15 0.05 -0.08 -0.04 3.06 3.14 1c0pA1 PHE 1356 HD2 0.12 0.14 -0.01 -0.04 7.28 7.48 1c0pA1 PHE 1356 HE2 -0.02 0.07 0.04 -0.04 7.38 7.43 1c0pA1 PHE 1356 HZ -0.02 0.12 -0.11 -0.04 7.32 7.27 1c0pA1 GLN 1357 H 0.16 0.46 -0.15 -0.55 8.47 8.39 1c0pA1 GLN 1357 HA 0.07 0.08 0.40 -0.75 4.36 4.15 1c0pA1 GLN 1357 HB2 0.01 0.09 0.17 -0.04 2.15 2.38 1c0pA1 GLN 1357 HB3 -0.00 -0.09 0.01 -0.04 2.02 1.90 1c0pA1 GLN 1357 HG2 0.09 0.22 0.07 -0.04 2.40 2.74 1c0pA1 GLN 1357 HG3 0.04 -0.10 0.00 -0.04 2.39 2.29 1c0pA1 GLN 1357 HE21 0.02 -0.04 0.01 -0.04 6.97 6.92 1c0pA1 GLN 1357 HE22 0.01 -0.03 0.01 -0.04 7.69 7.64 1c0pA1 ARG 1358 H -0.17 0.48 -0.14 -0.55 8.46 8.09 1c0pA1 ARG 1358 HA -0.22 0.06 0.49 -0.75 4.34 3.92 1c0pA1 ARG 1358 HB2 -1.07 0.04 0.10 -0.04 1.90 0.93 1c0pA1 ARG 1358 HB3 -0.98 -0.07 -0.03 -0.04 1.80 0.68 1c0pA1 ARG 1358 HG2 -0.22 -0.04 -0.01 -0.04 1.67 1.35 1c0pA1 ARG 1358 HG3 -0.22 0.16 0.02 -0.04 1.67 1.59 1c0pA1 ARG 1358 HD2 -0.39 -0.01 -0.05 -0.04 3.22 2.73 1c0pA1 ARG 1358 HD3 -0.21 -0.04 -0.02 -0.04 3.22 2.91 1c0pA1 TYR 1359 H -0.21 0.59 -0.01 -0.55 8.29 8.11 1c0pA1 TYR 1359 HA -0.19 0.18 0.93 -0.75 4.56 4.73 1c0pA1 TYR 1359 HB2 -0.76 0.08 -0.05 -0.04 3.06 2.29 1c0pA1 TYR 1359 HB3 -0.47 -0.05 0.01 -0.04 2.98 2.43 1c0pA1 TYR 1359 HD2 -0.10 0.04 -0.05 -0.04 7.15 7.00 1c0pA1 TYR 1359 HE2 -0.02 -0.03 -0.07 -0.04 6.85 6.68 1c0pA1 HIS 1360 H -0.08 0.44 0.07 -0.55 8.41 8.30 1c0pA1 HIS 1360 HA -0.09 0.14 0.87 -0.75 4.63 4.80 1c0pA1 HIS 1360 HB2 -0.79 0.04 0.14 -0.04 3.26 2.61 1c0pA1 HIS 1360 HB3 -0.49 -0.02 0.19 -0.04 3.20 2.83 1c0pA1 HIS 1360 HD2 -0.34 -0.01 -0.53 -0.04 6.97 6.05 1c0pA1 HIS 1360 HE1 -0.08 0.08 -0.01 -0.04 7.75 7.69 1c0pA1 GLY 1361 H 0.01 0.07 -0.23 -0.55 8.43 7.73 1c0pA1 GLY 1361 HA2 0.03 0.01 0.12 -0.51 4.01 3.66 1c0pA1 GLY 1361 HA3 0.06 0.10 0.26 -0.51 4.01 3.92