============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 2 0.840 -12.119 70.886 0.413 -99.200 -91.000 TRP 19 1.040 -27.815 60.373 -21.242 -99.200 -91.000 TRP6 19 1.020 -27.239 58.386 -22.400 -99.200 -91.000 TRP 34 1.040 -17.505 65.458 -28.905 -99.200 -91.000 TRP6 34 1.020 -17.466 64.982 -26.591 -99.200 -91.000 TRP 42 1.040 -18.109 74.245 -16.624 -99.200 -91.000 TRP6 42 1.020 -18.145 72.604 -14.943 -99.200 -91.000 HIS 43 0.900 -19.132 78.258 -18.756 -99.200 -91.000 TRP 45 1.040 -21.983 70.448 -16.123 -99.200 -91.000 TRP6 45 1.020 -20.852 68.997 -14.635 -99.200 -91.000 PHE 56 1.000 -10.277 70.460 -5.838 -99.200 -91.000 PHE 112 1.000 1.311 65.695 -20.426 -99.200 -91.000 PHE 133 1.000 4.753 47.756 -17.845 -99.200 -91.000 PHE 144 1.000 0.995 57.245 -1.477 -99.200 -91.000 HIS 145 0.900 1.783 58.265 -9.629 -99.200 -91.000 PHE 150 1.000 8.238 63.591 -18.270 -99.200 -91.000 HIS 151 0.900 5.615 67.752 -20.063 -99.200 -91.000 HIS 153 0.900 4.406 73.742 -19.908 -99.200 -91.000 PHE 157 1.000 -7.100 71.505 -10.368 -99.200 -91.000 TRP 194 1.040 12.010 73.621 1.153 -99.200 -91.000 TRP6 194 1.020 10.568 74.729 -0.348 -99.200 -91.000 PHE 198 1.000 15.206 65.333 -3.458 -99.200 -91.000 PHE 206 1.000 4.633 60.926 -20.529 -99.200 -91.000 HIS 252 0.900 6.454 61.551 7.997 -99.200 -91.000 PHE 253 1.000 4.272 61.777 -0.406 -99.200 -91.000 HIS 260 0.900 -10.134 59.337 -1.972 -99.200 -91.000 HIS 277 0.900 -2.079 60.131 -8.887 -99.200 -91.000 PHE 282 1.000 -6.739 46.087 -9.280 -99.200 -91.000 TYR 286 0.840 -5.945 40.482 -15.915 -99.200 -91.000 TRP 292 1.040 -13.351 51.499 -18.219 -99.200 -91.000 TRP6 292 1.020 -14.953 50.720 -19.753 -99.200 -91.000 PHE 297 1.000 -3.134 63.169 -17.457 -99.200 -91.000 TYR 314 0.840 -8.153 71.488 -26.517 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2og7A1 ARG 11 HA -0.12 -0.04 0.12 -0.75 4.34 3.54 2og7A1 ARG 11 HB2 -0.21 0.00 0.11 -0.04 1.90 1.77 2og7A1 ARG 11 HB3 -0.15 -0.04 0.06 -0.04 1.80 1.63 2og7A1 ARG 11 HG2 -0.52 -0.04 -0.06 -0.04 1.67 1.02 2og7A1 ARG 11 HG3 -0.86 0.07 -0.14 -0.04 1.67 0.69 2og7A1 ARG 11 HD2 -0.13 0.01 -0.01 -0.04 3.22 3.05 2og7A1 ARG 11 HD3 -0.11 -0.04 -0.00 -0.04 3.22 3.02 2og7A1 TYR 12 H -0.00 0.20 0.10 -0.55 8.29 8.04 2og7A1 TYR 12 HA 0.02 0.19 0.85 -0.75 4.56 4.86 2og7A1 TYR 12 HB2 0.06 -0.06 0.11 -0.04 3.06 3.13 2og7A1 TYR 12 HB3 0.07 0.24 0.36 -0.04 2.98 3.61 2og7A1 TYR 12 HD2 0.17 -0.01 -0.01 -0.04 7.15 7.26 2og7A1 TYR 12 HE2 0.16 0.07 -0.06 -0.04 6.85 6.98 2og7A1 ASP 13 H 0.02 0.18 -0.09 -0.55 8.40 7.97 2og7A1 ASP 13 HA 0.03 0.23 0.75 -0.75 4.63 4.88 2og7A1 ASP 13 HB2 0.08 0.05 -0.08 -0.04 2.71 2.72 2og7A1 ASP 13 HB3 0.04 -0.03 0.15 -0.04 2.70 2.82 2og7A1 VAL 14 H -0.00 0.75 0.23 -0.55 8.24 8.68 2og7A1 VAL 14 HA -0.00 0.15 0.89 -0.75 4.13 4.41 2og7A1 VAL 14 HB -0.00 -0.00 0.11 -0.04 2.12 2.18 2og7A1 VAL 14 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.71 2og7A1 VAL 14 HG23 -0.02 0.01 -0.27 -0.04 0.95 0.63 2og7A1 THR 15 H -0.00 0.22 0.13 -0.55 8.28 8.08 2og7A1 THR 15 HA -0.01 0.14 1.00 -0.75 4.39 4.77 2og7A1 THR 15 HB -0.01 -0.04 0.12 -0.04 4.32 4.35 2og7A1 THR 15 HG23 -0.01 0.04 -0.12 -0.04 1.22 1.09 2og7A1 LEU 16 H -0.02 0.67 0.27 -0.55 8.37 8.74 2og7A1 LEU 16 HA -0.02 -0.06 0.49 -0.75 4.35 4.00 2og7A1 LEU 16 HB2 -0.04 0.15 0.20 -0.04 1.64 1.90 2og7A1 LEU 16 HB3 -0.06 -0.06 -0.02 -0.04 1.64 1.46 2og7A1 LEU 16 HG -0.04 -0.10 -0.04 -0.04 1.64 1.43 2og7A1 LEU 16 HD13 0.01 0.01 -0.13 -0.04 0.93 0.78 2og7A1 LEU 16 HD23 -0.15 0.02 -0.23 -0.04 0.89 0.50 2og7A1 ASP 17 H -0.03 0.04 0.22 -0.55 8.40 8.08 2og7A1 ASP 17 HA -0.02 0.24 0.73 -0.75 4.63 4.82 2og7A1 ASP 17 HB2 -0.02 -0.04 0.20 -0.04 2.71 2.82 2og7A1 ASP 17 HB3 -0.02 0.15 0.16 -0.04 2.70 2.95 2og7A1 GLN 18 H -0.02 0.19 0.17 -0.55 8.47 8.26 2og7A1 GLN 18 HA -0.03 0.15 0.26 -0.75 4.36 3.99 2og7A1 GLN 18 HB2 -0.02 0.05 0.17 -0.04 2.15 2.31 2og7A1 GLN 18 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.03 2og7A1 GLN 18 HG2 -0.03 -0.01 -0.05 -0.04 2.40 2.27 2og7A1 GLN 18 HG3 -0.02 0.05 0.06 -0.04 2.39 2.43 2og7A1 GLN 18 HE21 -0.02 0.02 0.00 -0.04 6.97 6.93 2og7A1 GLN 18 HE22 -0.02 0.01 0.00 -0.04 7.69 7.65 2og7A1 SER 19 H -0.03 0.06 -0.14 -0.55 8.46 7.80 2og7A1 SER 19 HA -0.04 0.12 0.43 -0.75 4.49 4.24 2og7A1 SER 19 HB2 -0.03 0.04 0.10 -0.04 3.95 4.02 2og7A1 SER 19 HB3 -0.04 -0.07 0.10 -0.04 3.93 3.89 2og7A1 ASP 20 H -0.05 0.05 -0.11 -0.55 8.40 7.74 2og7A1 ASP 20 HA -0.10 0.07 0.52 -0.75 4.63 4.37 2og7A1 ASP 20 HB2 -0.06 0.00 0.16 -0.04 2.71 2.77 2og7A1 ASP 20 HB3 -0.10 0.06 0.05 -0.04 2.70 2.68 2og7A1 ALA 21 H -0.08 0.62 -0.16 -0.55 8.40 8.24 2og7A1 ALA 21 HA -0.14 0.06 0.44 -0.75 4.34 3.95 2og7A1 ALA 21 HB3 -0.06 0.03 0.03 -0.04 1.41 1.37 2og7A1 GLU 22 H -0.07 0.55 -0.13 -0.55 8.60 8.40 2og7A1 GLU 22 HA -0.04 0.02 0.54 -0.75 4.29 4.06 2og7A1 GLU 22 HB2 -0.05 0.10 0.20 -0.04 2.09 2.30 2og7A1 GLU 22 HB3 -0.04 -0.05 0.04 -0.04 1.99 1.90 2og7A1 GLU 22 HG2 -0.03 -0.04 0.05 -0.04 2.34 2.28 2og7A1 GLU 22 HG3 -0.03 0.13 0.11 -0.04 2.34 2.50 2og7A1 LEU 23 H -0.11 0.42 -0.15 -0.55 8.37 7.99 2og7A1 LEU 23 HA -0.09 0.03 0.47 -0.75 4.35 4.00 2og7A1 LEU 23 HB2 -0.09 -0.01 0.14 -0.04 1.64 1.64 2og7A1 LEU 23 HB3 -0.15 0.05 0.24 -0.04 1.64 1.73 2og7A1 LEU 23 HG -0.18 0.03 -0.19 -0.04 1.64 1.26 2og7A1 LEU 23 HD13 -0.07 -0.01 0.05 -0.04 0.93 0.85 2og7A1 LEU 23 HD23 -0.08 0.01 0.01 -0.04 0.89 0.80 2og7A1 VAL 24 H -0.29 0.60 0.02 -0.55 8.24 8.03 2og7A1 VAL 24 HA -0.63 0.05 0.46 -0.75 4.13 3.26 2og7A1 VAL 24 HB -0.46 0.10 0.16 -0.04 2.12 1.88 2og7A1 VAL 24 HG13 -0.91 -0.01 -0.05 -0.04 0.97 -0.04 2og7A1 VAL 24 HG23 -1.03 0.03 0.08 -0.04 0.95 -0.01 2og7A1 GLU 25 H -0.15 0.54 -0.17 -0.55 8.60 8.28 2og7A1 GLU 25 HA -0.05 -0.03 0.47 -0.75 4.29 3.93 2og7A1 GLU 25 HB2 0.01 0.13 0.17 -0.04 2.09 2.36 2og7A1 GLU 25 HB3 0.05 0.14 0.18 -0.04 1.99 2.32 2og7A1 GLU 25 HG2 0.52 -0.02 -0.17 -0.04 2.34 2.63 2og7A1 GLU 25 HG3 0.31 -0.09 0.02 -0.04 2.34 2.54 2og7A1 GLU 26 H 0.00 0.58 -0.12 -0.55 8.60 8.52 2og7A1 GLU 26 HA 0.15 -0.04 0.41 -0.75 4.29 4.06 2og7A1 GLU 26 HB2 -0.00 0.03 0.16 -0.04 2.09 2.23 2og7A1 GLU 26 HB3 -0.03 0.16 0.19 -0.04 1.99 2.28 2og7A1 GLU 26 HG2 0.01 0.01 -0.17 -0.04 2.34 2.14 2og7A1 GLU 26 HG3 0.01 -0.06 0.04 -0.04 2.34 2.30 2og7A1 ILE 27 H -0.08 0.58 -0.16 -0.55 8.25 8.05 2og7A1 ILE 27 HA 0.00 -0.00 0.36 -0.75 4.18 3.79 2og7A1 ILE 27 HB -0.19 0.06 0.15 -0.04 1.89 1.87 2og7A1 ILE 27 HG12 -0.02 -0.04 -0.03 -0.04 1.49 1.37 2og7A1 ILE 27 HG13 -0.08 0.05 0.05 -0.04 1.21 1.18 2og7A1 ILE 27 HG23 0.12 0.01 -0.15 -0.04 0.93 0.87 2og7A1 ILE 27 HD13 -0.18 0.01 -0.30 -0.04 0.88 0.37 2og7A1 ALA 28 H -0.08 0.76 -0.06 -0.55 8.40 8.48 2og7A1 ALA 28 HA -0.01 0.01 0.40 -0.75 4.34 3.98 2og7A1 ALA 28 HB3 -0.16 0.00 0.11 -0.04 1.41 1.32 2og7A1 TRP 29 H 0.13 0.69 -0.10 -0.55 7.97 8.14 2og7A1 TRP 29 HA 0.01 -0.04 0.42 -0.75 4.62 4.26 2og7A1 TRP 29 HB2 -0.03 0.14 0.15 -0.04 3.23 3.45 2og7A1 TRP 29 HB3 -0.01 -0.04 -0.05 -0.04 3.23 3.10 2og7A1 TRP 29 HD1 -0.05 0.16 -0.19 -0.04 7.22 7.10 2og7A1 TRP 29 HE1 -0.04 -0.04 -0.06 -0.04 10.20 10.03 2og7A1 TRP 29 HE3 0.01 0.02 -0.01 -0.04 7.59 7.57 2og7A1 TRP 29 HZ2 -0.02 -0.04 -0.05 -0.04 7.44 7.29 2og7A1 TRP 29 HZ3 0.01 0.04 -0.03 -0.04 7.13 7.11 2og7A1 TRP 29 HH2 -0.01 -0.01 -0.01 -0.04 7.19 7.12 2og7A1 LYS 30 H 0.16 0.62 -0.12 -0.55 8.42 8.53 2og7A1 LYS 30 HA 0.10 -0.01 0.36 -0.75 4.32 4.02 2og7A1 LYS 30 HB2 0.06 0.09 0.13 -0.04 1.87 2.11 2og7A1 LYS 30 HB3 0.03 0.12 0.11 -0.04 1.79 2.00 2og7A1 LYS 30 HG2 0.01 -0.03 -0.12 -0.04 1.46 1.29 2og7A1 LYS 30 HG3 0.03 -0.05 0.02 -0.04 1.46 1.43 2og7A1 LYS 30 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 2og7A1 LYS 30 HD3 0.01 0.03 -0.04 -0.04 1.68 1.63 2og7A1 LYS 30 HE2 -0.00 -0.00 -0.06 -0.04 2.99 2.89 2og7A1 LYS 30 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.90 2og7A1 LEU 31 H 0.00 0.59 -0.16 -0.55 8.37 8.26 2og7A1 LEU 31 HA -0.16 0.00 0.47 -0.75 4.35 3.91 2og7A1 LEU 31 HB2 -0.13 0.05 0.07 -0.04 1.64 1.58 2og7A1 LEU 31 HB3 -0.09 0.06 0.13 -0.04 1.64 1.69 2og7A1 LEU 31 HG -0.88 -0.02 -0.30 -0.04 1.64 0.40 2og7A1 LEU 31 HD13 -0.72 0.01 -0.13 -0.04 0.93 0.05 2og7A1 LEU 31 HD23 -0.30 -0.02 -0.04 -0.04 0.89 0.49 2og7A1 ALA 32 H 0.05 0.57 -0.16 -0.55 8.40 8.31 2og7A1 ALA 32 HA 0.46 -0.01 0.30 -0.75 4.34 4.33 2og7A1 ALA 32 HB3 0.06 -0.01 -0.12 -0.04 1.41 1.29 2og7A1 THR 33 H 0.16 0.53 -0.19 -0.55 8.28 8.23 2og7A1 THR 33 HA 0.16 0.13 0.69 -0.75 4.39 4.62 2og7A1 THR 33 HB 0.13 -0.06 0.02 -0.04 4.32 4.37 2og7A1 THR 33 HG23 0.31 -0.03 -0.05 -0.04 1.22 1.42 2og7A1 GLN 34 H 0.07 0.37 -0.08 -0.55 8.47 8.28 2og7A1 GLN 34 HA 0.06 0.16 0.92 -0.75 4.36 4.74 2og7A1 GLN 34 HB2 0.01 0.15 0.06 -0.04 2.15 2.33 2og7A1 GLN 34 HB3 0.02 -0.10 0.04 -0.04 2.02 1.94 2og7A1 GLN 34 HG2 0.04 -0.01 -0.14 -0.04 2.40 2.25 2og7A1 GLN 34 HG3 0.06 0.01 0.00 -0.04 2.39 2.42 2og7A1 GLN 34 HE21 0.02 -0.04 -0.02 -0.04 6.97 6.88 2og7A1 GLN 34 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.62 2og7A1 ALA 35 H -0.01 0.34 0.05 -0.55 8.40 8.24 2og7A1 ALA 35 HA -0.07 -0.07 0.47 -0.75 4.34 3.93 2og7A1 ALA 35 HB3 -0.43 0.01 0.09 -0.04 1.41 1.05 2og7A1 THR 36 H 0.03 0.02 0.16 -0.55 8.28 7.94 2og7A1 THR 36 HA 0.12 0.15 0.56 -0.75 4.39 4.46 2og7A1 THR 36 HB 0.08 -0.07 0.07 -0.04 4.32 4.35 2og7A1 THR 36 HG23 0.04 0.02 0.05 -0.04 1.22 1.29 2og7A1 GLY 37 H 0.12 0.07 0.14 -0.55 8.43 8.22 2og7A1 GLY 37 HA2 0.09 -0.01 0.34 -0.51 4.01 3.92 2og7A1 GLY 37 HA3 0.17 -0.01 0.54 -0.51 4.01 4.20 2og7A1 ARG 38 H 0.01 0.09 0.23 -0.55 8.46 8.24 2og7A1 ARG 38 HA -0.56 0.26 0.82 -0.75 4.34 4.10 2og7A1 ARG 38 HB2 -0.15 -0.12 0.07 -0.04 1.90 1.66 2og7A1 ARG 38 HB3 -0.29 0.34 0.21 -0.04 1.80 2.02 2og7A1 ARG 38 HG2 -0.10 0.10 -0.06 -0.04 1.67 1.58 2og7A1 ARG 38 HG3 -0.04 -0.14 -0.33 -0.04 1.67 1.12 2og7A1 ARG 38 HD2 -0.10 0.04 -0.01 -0.04 3.22 3.11 2og7A1 ARG 38 HD3 -0.04 -0.01 -0.03 -0.04 3.22 3.10 2og7A1 PRO 39 HA -0.78 0.06 0.18 -0.51 4.44 3.39 2og7A1 PRO 39 HB2 -0.41 0.08 -0.00 -0.04 2.28 1.90 2og7A1 PRO 39 HB3 -0.54 0.02 -0.02 -0.04 2.02 1.44 2og7A1 PRO 39 HG2 -0.62 0.20 -0.30 -0.04 2.03 1.28 2og7A1 PRO 39 HG3 -1.84 -0.03 -0.06 -0.04 2.03 0.06 2og7A1 PRO 39 HD2 -0.55 0.41 -0.09 -0.04 3.68 3.41 2og7A1 PRO 39 HD3 -1.15 0.08 0.06 -0.04 3.65 2.60 2og7A1 ASP 40 H -0.21 0.13 -0.21 -0.55 8.40 7.56 2og7A1 ASP 40 HA -0.07 0.16 0.62 -0.75 4.63 4.58 2og7A1 ASP 40 HB2 -0.07 -0.02 0.03 -0.04 2.71 2.62 2og7A1 ASP 40 HB3 -0.02 0.04 0.09 -0.04 2.70 2.77 2og7A1 ASP 41 H -0.03 0.54 -0.09 -0.55 8.40 8.28 2og7A1 ASP 41 HA 0.07 0.10 0.65 -0.75 4.63 4.69 2og7A1 ASP 41 HB2 0.14 0.06 0.19 -0.04 2.71 3.06 2og7A1 ASP 41 HB3 0.10 -0.09 0.10 -0.04 2.70 2.77 2og7A1 ALA 42 H 0.12 0.19 0.20 -0.55 8.40 8.37 2og7A1 ALA 42 HA 0.28 0.14 0.42 -0.75 4.34 4.43 2og7A1 ALA 42 HB3 0.14 0.03 0.11 -0.04 1.41 1.66 2og7A1 GLU 43 H 0.12 0.06 -0.21 -0.55 8.60 8.02 2og7A1 GLU 43 HA 0.08 0.09 0.39 -0.75 4.29 4.10 2og7A1 GLU 43 HB2 0.07 0.03 0.03 -0.04 2.09 2.18 2og7A1 GLU 43 HB3 0.08 -0.02 0.06 -0.04 1.99 2.07 2og7A1 GLU 43 HG2 0.14 -0.16 -0.04 -0.04 2.34 2.24 2og7A1 GLU 43 HG3 0.15 0.31 -0.29 -0.04 2.34 2.47 2og7A1 TRP 44 H 0.27 0.24 -0.36 -0.55 7.97 7.58 2og7A1 TRP 44 HA 0.01 0.11 0.48 -0.75 4.62 4.45 2og7A1 TRP 44 HB2 -0.00 -0.05 -0.11 -0.04 3.23 3.02 2og7A1 TRP 44 HB3 -0.03 0.14 -0.17 -0.04 3.23 3.13 2og7A1 TRP 44 HD1 0.01 0.21 -0.81 -0.04 7.22 6.59 2og7A1 TRP 44 HE1 0.01 0.20 -0.14 -0.04 10.20 10.23 2og7A1 TRP 44 HE3 -0.05 0.11 -0.33 -0.04 7.59 7.27 2og7A1 TRP 44 HZ2 -0.02 0.01 -0.10 -0.04 7.44 7.29 2og7A1 TRP 44 HZ3 -0.04 0.08 -0.24 -0.04 7.13 6.89 2og7A1 TRP 44 HH2 -0.04 -0.07 -0.21 -0.04 7.19 6.83 2og7A1 VAL 45 H 0.19 0.47 -0.06 -0.55 8.24 8.29 2og7A1 VAL 45 HA 0.08 0.04 0.43 -0.75 4.13 3.92 2og7A1 VAL 45 HB -0.08 0.05 0.11 -0.04 2.12 2.15 2og7A1 VAL 45 HG13 -0.38 0.00 -0.03 -0.04 0.97 0.52 2og7A1 VAL 45 HG23 -0.31 0.04 -0.01 -0.04 0.95 0.63 2og7A1 GLU 46 H 0.07 0.52 -0.23 -0.55 8.60 8.41 2og7A1 GLU 46 HA 0.04 0.06 0.45 -0.75 4.29 4.09 2og7A1 GLU 46 HB2 0.07 0.05 0.09 -0.04 2.09 2.26 2og7A1 GLU 46 HB3 0.04 0.08 0.12 -0.04 1.99 2.19 2og7A1 GLU 46 HG2 0.02 -0.02 -0.19 -0.04 2.34 2.11 2og7A1 GLU 46 HG3 0.04 -0.00 0.03 -0.04 2.34 2.37 2og7A1 ALA 47 H -0.07 0.41 -0.24 -0.55 8.40 7.95 2og7A1 ALA 47 HA -0.09 -0.01 0.48 -0.75 4.34 3.97 2og7A1 ALA 47 HB3 -0.32 0.03 0.13 -0.04 1.41 1.21 2og7A1 ALA 48 H -0.21 0.63 -0.18 -0.55 8.40 8.09 2og7A1 ALA 48 HA -0.15 -0.04 0.42 -0.75 4.34 3.82 2og7A1 ALA 48 HB3 -0.07 0.04 -0.08 -0.04 1.41 1.26 2og7A1 ARG 49 H -0.02 0.52 -0.21 -0.55 8.46 8.20 2og7A1 ARG 49 HA 0.01 0.07 0.45 -0.75 4.34 4.11 2og7A1 ARG 49 HB2 0.02 0.05 0.14 -0.04 1.90 2.07 2og7A1 ARG 49 HB3 0.05 0.08 0.18 -0.04 1.80 2.07 2og7A1 ARG 49 HG2 0.17 -0.06 -0.16 -0.04 1.67 1.58 2og7A1 ARG 49 HG3 0.07 0.09 0.07 -0.04 1.67 1.85 2og7A1 ARG 49 HD2 0.07 -0.06 0.01 -0.04 3.22 3.20 2og7A1 ARG 49 HD3 0.08 -0.02 0.01 -0.04 3.22 3.25 2og7A1 ASN 50 H 0.04 0.50 -0.14 -0.55 8.53 8.38 2og7A1 ASN 50 HA 0.16 0.04 0.50 -0.75 4.76 4.72 2og7A1 ASN 50 HB2 0.01 0.09 0.16 -0.04 2.88 3.10 2og7A1 ASN 50 HB3 0.04 -0.07 0.01 -0.04 2.79 2.72 2og7A1 ASN 50 HD21 0.02 -0.07 -0.04 -0.04 7.03 6.90 2og7A1 ASN 50 HD22 0.00 -0.03 -0.05 -0.04 7.74 7.61 2og7A1 ALA 51 H 0.03 0.58 -0.16 -0.55 8.40 8.30 2og7A1 ALA 51 HA 0.07 -0.01 0.39 -0.75 4.34 4.03 2og7A1 ALA 51 HB3 0.04 0.00 0.06 -0.04 1.41 1.48 2og7A1 TRP 52 H 0.17 0.64 -0.19 -0.55 7.97 8.04 2og7A1 TRP 52 HA -0.49 -0.08 0.36 -0.75 4.62 3.66 2og7A1 TRP 52 HB2 -0.41 0.06 0.13 -0.04 3.23 2.97 2og7A1 TRP 52 HB3 -0.38 0.23 0.11 -0.04 3.23 3.16 2og7A1 TRP 52 HD1 -1.31 0.05 -0.16 -0.04 7.22 5.76 2og7A1 TRP 52 HE1 -0.34 0.02 -0.03 -0.04 10.20 9.81 2og7A1 TRP 52 HE3 -1.68 -0.06 -0.24 -0.04 7.59 5.58 2og7A1 TRP 52 HZ2 -0.27 0.03 -0.03 -0.04 7.44 7.13 2og7A1 TRP 52 HZ3 -2.34 -0.06 -0.11 -0.04 7.13 4.59 2og7A1 TRP 52 HH2 -0.44 -0.03 -0.11 -0.04 7.19 6.57 2og7A1 HIS 53 H 0.07 0.37 -0.46 -0.55 8.41 7.84 2og7A1 HIS 53 HA -0.28 0.04 0.39 -0.75 4.63 4.02 2og7A1 HIS 53 HB2 0.03 0.17 0.12 -0.04 3.26 3.54 2og7A1 HIS 53 HB3 -0.01 -0.09 0.12 -0.04 3.20 3.17 2og7A1 HIS 53 HD2 0.13 0.18 0.05 -0.04 6.97 7.29 2og7A1 HIS 53 HE1 0.19 -0.01 -0.01 -0.04 7.75 7.88 2og7A1 ALA 54 H 0.06 0.45 -0.46 -0.55 8.40 7.90 2og7A1 ALA 54 HA 0.01 0.07 0.79 -0.75 4.34 4.47 2og7A1 ALA 54 HB3 0.04 -0.01 0.08 -0.04 1.41 1.48 2og7A1 TRP 55 H 0.04 0.58 -0.14 -0.55 7.97 7.90 2og7A1 TRP 55 HA -0.22 -0.04 0.34 -0.75 4.62 3.94 2og7A1 TRP 55 HB2 -0.97 0.17 0.08 -0.04 3.23 2.47 2og7A1 TRP 55 HB3 -0.47 -0.10 0.03 -0.04 3.23 2.65 2og7A1 TRP 55 HD1 -0.21 0.15 0.03 -0.04 7.22 7.15 2og7A1 TRP 55 HE1 0.06 -0.03 -0.13 -0.04 10.20 10.06 2og7A1 TRP 55 HE3 -0.24 -0.07 -0.06 -0.04 7.59 7.18 2og7A1 TRP 55 HZ2 0.13 0.01 -0.01 -0.04 7.44 7.53 2og7A1 TRP 55 HZ3 0.11 -0.03 -0.07 -0.04 7.13 7.09 2og7A1 TRP 55 HH2 0.12 -0.01 -0.04 -0.04 7.19 7.22 2og7A1 PRO 56 HA -0.04 0.14 0.56 -0.51 4.44 4.59 2og7A1 PRO 56 HB2 -0.03 -0.18 0.05 -0.04 2.28 2.08 2og7A1 PRO 56 HB3 -0.06 0.07 0.16 -0.04 2.02 2.15 2og7A1 PRO 56 HG2 -0.05 -0.07 0.13 -0.04 2.03 2.00 2og7A1 PRO 56 HG3 -0.11 0.00 0.17 -0.04 2.03 2.05 2og7A1 PRO 56 HD2 -0.18 0.11 0.22 -0.04 3.68 3.79 2og7A1 PRO 56 HD3 -0.19 0.16 0.18 -0.04 3.65 3.76 2og7A1 ALA 57 H -0.03 0.17 0.19 -0.55 8.40 8.19 2og7A1 ALA 57 HA -0.04 0.18 0.34 -0.75 4.34 4.07 2og7A1 ALA 57 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 2og7A1 THR 58 H -0.01 0.04 -0.20 -0.55 8.28 7.57 2og7A1 THR 58 HA 0.00 0.10 0.33 -0.75 4.39 4.07 2og7A1 THR 58 HB 0.00 0.07 -0.03 -0.04 4.32 4.31 2og7A1 THR 58 HG23 -0.01 0.00 0.05 -0.04 1.22 1.22 2og7A1 LEU 59 H 0.02 0.15 -0.25 -0.55 8.37 7.75 2og7A1 LEU 59 HA 0.08 0.05 0.46 -0.75 4.35 4.18 2og7A1 LEU 59 HB2 0.19 0.15 0.05 -0.04 1.64 1.99 2og7A1 LEU 59 HB3 0.34 0.05 -0.05 -0.04 1.64 1.94 2og7A1 LEU 59 HG 0.03 -0.14 0.01 -0.04 1.64 1.50 2og7A1 LEU 59 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.87 2og7A1 LEU 59 HD23 0.08 0.00 -0.07 -0.04 0.89 0.86 2og7A1 ARG 60 H -0.04 0.43 -0.17 -0.55 8.46 8.13 2og7A1 ARG 60 HA 0.11 0.07 0.45 -0.75 4.34 4.21 2og7A1 ARG 60 HB2 -0.08 -0.01 0.08 -0.04 1.90 1.85 2og7A1 ARG 60 HB3 0.01 0.01 -0.02 -0.04 1.80 1.75 2og7A1 ARG 60 HG2 -1.04 -0.01 -0.04 -0.04 1.67 0.53 2og7A1 ARG 60 HG3 -0.54 0.01 -0.15 -0.04 1.67 0.95 2og7A1 ARG 60 HD2 -0.17 -0.06 -0.06 -0.04 3.22 2.89 2og7A1 ARG 60 HD3 -1.01 0.12 -0.10 -0.04 3.22 2.19 2og7A1 ARG 61 H 0.03 0.67 -0.13 -0.55 8.46 8.47 2og7A1 ARG 61 HA 0.06 0.04 0.50 -0.75 4.34 4.18 2og7A1 ARG 61 HB2 0.02 0.09 0.14 -0.04 1.90 2.11 2og7A1 ARG 61 HB3 0.03 -0.04 -0.00 -0.04 1.80 1.75 2og7A1 ARG 61 HG2 0.03 -0.02 0.01 -0.04 1.67 1.65 2og7A1 ARG 61 HG3 0.02 0.11 0.04 -0.04 1.67 1.80 2og7A1 ARG 61 HD2 0.01 -0.07 -0.13 -0.04 3.22 2.98 2og7A1 ARG 61 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.16 2og7A1 ASP 62 H 0.05 0.43 -0.13 -0.55 8.40 8.20 2og7A1 ASP 62 HA 0.03 0.03 0.45 -0.75 4.63 4.38 2og7A1 ASP 62 HB2 0.07 0.08 0.18 -0.04 2.71 3.00 2og7A1 ASP 62 HB3 0.03 0.01 -0.02 -0.04 2.70 2.67 2og7A1 LEU 63 H 0.12 0.57 -0.12 -0.55 8.37 8.39 2og7A1 LEU 63 HA 0.09 0.01 0.37 -0.75 4.35 4.07 2og7A1 LEU 63 HB2 0.26 0.10 0.12 -0.04 1.64 2.08 2og7A1 LEU 63 HB3 0.05 0.04 -0.11 -0.04 1.64 1.58 2og7A1 LEU 63 HG 0.13 -0.00 -0.06 -0.04 1.64 1.66 2og7A1 LEU 63 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.70 2og7A1 LEU 63 HD23 0.14 0.01 -0.06 -0.04 0.89 0.94 2og7A1 ALA 64 H 0.11 0.58 -0.16 -0.55 8.40 8.39 2og7A1 ALA 64 HA 0.07 0.06 0.40 -0.75 4.34 4.11 2og7A1 ALA 64 HB3 0.08 0.00 0.09 -0.04 1.41 1.54 2og7A1 GLY 65 H 0.08 0.54 -0.25 -0.55 8.43 8.25 2og7A1 GLY 65 HA2 0.06 -0.03 0.47 -0.51 4.01 4.00 2og7A1 GLY 65 HA3 0.06 0.05 0.31 -0.51 4.01 3.93 2og7A1 PHE 66 H 0.22 0.45 -0.17 -0.55 8.34 8.29 2og7A1 PHE 66 HA 0.18 0.21 0.37 -0.75 4.62 4.62 2og7A1 PHE 66 HB2 0.08 0.02 0.06 -0.04 3.15 3.27 2og7A1 PHE 66 HB3 -0.02 0.07 0.10 -0.04 3.06 3.18 2og7A1 PHE 66 HD2 0.03 0.05 -0.14 -0.04 7.28 7.19 2og7A1 PHE 66 HE2 -0.11 -0.01 -0.27 -0.04 7.38 6.95 2og7A1 PHE 66 HZ 0.14 0.00 -0.24 -0.04 7.32 7.18 2og7A1 ARG 67 H 0.09 0.57 -0.17 -0.55 8.46 8.40 2og7A1 ARG 67 HA -0.01 -0.02 0.35 -0.75 4.34 3.90 2og7A1 ARG 67 HB2 -0.01 0.05 0.09 -0.04 1.90 1.99 2og7A1 ARG 67 HB3 0.04 0.08 0.08 -0.04 1.80 1.95 2og7A1 ARG 67 HG2 0.12 -0.06 -0.04 -0.04 1.67 1.65 2og7A1 ARG 67 HG3 0.17 -0.03 0.06 -0.04 1.67 1.82 2og7A1 ARG 67 HD2 0.01 0.03 0.05 -0.04 3.22 3.26 2og7A1 ARG 67 HD3 0.05 -0.07 -0.01 -0.04 3.22 3.15 2og7A1 ARG 68 H 0.03 0.38 -0.40 -0.55 8.46 7.92 2og7A1 ARG 68 HA 0.02 -0.00 0.43 -0.75 4.34 4.04 2og7A1 ARG 68 HB2 0.04 -0.01 0.10 -0.04 1.90 1.99 2og7A1 ARG 68 HB3 0.04 0.14 0.16 -0.04 1.80 2.10 2og7A1 ARG 68 HG2 0.03 -0.08 -0.00 -0.04 1.67 1.58 2og7A1 ARG 68 HG3 0.03 -0.02 -0.18 -0.04 1.67 1.46 2og7A1 ARG 68 HD2 0.02 0.05 0.14 -0.04 3.22 3.39 2og7A1 ARG 68 HD3 0.03 -0.02 0.04 -0.04 3.22 3.22 2og7A1 ASP 69 H 0.01 0.52 -0.27 -0.55 8.40 8.12 2og7A1 ASP 69 HA -0.01 0.02 0.66 -0.75 4.63 4.54 2og7A1 ASP 69 HB2 0.04 0.04 -0.17 -0.04 2.71 2.59 2og7A1 ASP 69 HB3 0.09 0.05 0.10 -0.04 2.70 2.90 2og7A1 SER 70 H -0.12 0.13 0.08 -0.55 8.46 8.00 2og7A1 SER 70 HA -0.28 0.20 0.62 -0.75 4.49 4.28 2og7A1 SER 70 HB2 -0.24 -0.12 0.05 -0.04 3.95 3.59 2og7A1 SER 70 HB3 -0.68 0.16 0.04 -0.04 3.93 3.41 2og7A1 GLY 71 H -0.02 0.01 -0.33 -0.55 8.43 7.54 2og7A1 GLY 71 HA2 -0.04 0.05 0.26 -0.51 4.01 3.78 2og7A1 GLY 71 HA3 -0.65 0.12 0.29 -0.51 4.01 3.26 2og7A1 PRO 72 HA -0.03 0.09 0.34 -0.51 4.44 4.33 2og7A1 PRO 72 HB2 -0.01 0.07 -0.01 -0.04 2.28 2.29 2og7A1 PRO 72 HB3 -0.00 0.04 0.08 -0.04 2.02 2.10 2og7A1 PRO 72 HG2 -0.03 0.04 0.07 -0.04 2.03 2.08 2og7A1 PRO 72 HG3 0.02 0.04 0.07 -0.04 2.03 2.13 2og7A1 PRO 72 HD2 -0.17 0.14 0.21 -0.04 3.68 3.82 2og7A1 PRO 72 HD3 0.01 0.12 0.17 -0.04 3.65 3.90 2og7A1 ASP 73 H -0.15 0.11 -0.22 -0.55 8.40 7.59 2og7A1 ASP 73 HA -0.01 0.16 0.92 -0.75 4.63 4.95 2og7A1 ASP 73 HB2 -0.04 0.04 0.05 -0.04 2.71 2.72 2og7A1 ASP 73 HB3 0.03 0.01 0.09 -0.04 2.70 2.79 2og7A1 GLY 74 H -0.10 0.28 -0.28 -0.55 8.43 7.79 2og7A1 GLY 74 HA2 -0.00 0.05 0.24 -0.51 4.01 3.79 2og7A1 GLY 74 HA3 0.02 -0.04 0.22 -0.51 4.01 3.69 2og7A1 ALA 75 H 0.10 0.25 -0.07 -0.55 8.40 8.13 2og7A1 ALA 75 HA 0.26 0.21 0.91 -0.75 4.34 4.96 2og7A1 ALA 75 HB3 0.06 -0.01 -0.11 -0.04 1.41 1.31 2og7A1 ILE 76 H -0.25 0.58 0.39 -0.55 8.25 8.43 2og7A1 ILE 76 HA 0.00 0.31 0.83 -0.75 4.18 4.57 2og7A1 ILE 76 HB -0.39 0.08 -0.01 -0.04 1.89 1.53 2og7A1 ILE 76 HG12 -0.16 -0.08 -0.34 -0.04 1.49 0.86 2og7A1 ILE 76 HG13 -0.03 -0.05 -0.11 -0.04 1.21 0.98 2og7A1 ILE 76 HG23 -1.14 -0.01 -0.03 -0.04 0.93 -0.29 2og7A1 ILE 76 HD13 -0.08 0.01 -0.09 -0.04 0.88 0.67 2og7A1 VAL 77 H -0.02 0.55 0.22 -0.55 8.24 8.44 2og7A1 VAL 77 HA -0.10 0.32 1.07 -0.75 4.13 4.67 2og7A1 VAL 77 HB 0.01 -0.03 0.13 -0.04 2.12 2.19 2og7A1 VAL 77 HG13 -0.03 -0.02 -0.21 -0.04 0.97 0.67 2og7A1 VAL 77 HG23 -0.12 -0.00 -0.15 -0.04 0.95 0.63 2og7A1 LEU 78 H -0.05 0.69 0.33 -0.55 8.37 8.79 2og7A1 LEU 78 HA -0.01 0.26 1.02 -0.75 4.35 4.87 2og7A1 LEU 78 HB2 0.01 0.02 0.15 -0.04 1.64 1.78 2og7A1 LEU 78 HB3 0.04 -0.03 -0.03 -0.04 1.64 1.58 2og7A1 LEU 78 HG 0.04 -0.02 0.00 -0.04 1.64 1.62 2og7A1 LEU 78 HD13 -0.06 0.04 -0.34 -0.04 0.93 0.53 2og7A1 LEU 78 HD23 0.13 0.00 -0.07 -0.04 0.89 0.91 2og7A1 ARG 79 H -0.00 0.65 0.43 -0.55 8.46 8.98 2og7A1 ARG 79 HA -0.02 0.15 0.95 -0.75 4.34 4.67 2og7A1 ARG 79 HB2 -0.01 -0.06 0.09 -0.04 1.90 1.88 2og7A1 ARG 79 HB3 -0.01 0.02 0.00 -0.04 1.80 1.78 2og7A1 ARG 79 HG2 -0.00 0.03 -0.25 -0.04 1.67 1.40 2og7A1 ARG 79 HG3 -0.00 0.01 -0.44 -0.04 1.67 1.20 2og7A1 ARG 79 HD2 0.00 -0.03 -0.13 -0.04 3.22 3.02 2og7A1 ARG 79 HD3 0.01 0.01 -0.09 -0.04 3.22 3.11 2og7A1 GLY 80 H -0.03 0.28 0.11 -0.55 8.43 8.25 2og7A1 GLY 80 HA2 -0.03 0.04 0.31 -0.51 4.01 3.82 2og7A1 GLY 80 HA3 -0.03 0.08 0.71 -0.51 4.01 4.26 2og7A1 LEU 81 H -0.04 0.51 0.17 -0.55 8.37 8.47 2og7A1 LEU 81 HA -0.11 0.08 0.62 -0.75 4.35 4.19 2og7A1 LEU 81 HB2 -0.03 0.11 0.00 -0.04 1.64 1.68 2og7A1 LEU 81 HB3 -0.03 0.03 -0.02 -0.04 1.64 1.58 2og7A1 LEU 81 HG -0.00 -0.08 -0.20 -0.04 1.64 1.32 2og7A1 LEU 81 HD13 0.08 0.01 -0.11 -0.04 0.93 0.86 2og7A1 LEU 81 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 2og7A1 PRO 82 HA -0.06 0.07 0.43 -0.51 4.44 4.37 2og7A1 PRO 82 HB2 -0.20 -0.03 -0.04 -0.04 2.28 1.97 2og7A1 PRO 82 HB3 -0.06 0.03 0.09 -0.04 2.02 2.03 2og7A1 PRO 82 HG2 -0.17 0.01 0.07 -0.04 2.03 1.90 2og7A1 PRO 82 HG3 -0.18 0.07 -0.18 -0.04 2.03 1.70 2og7A1 PRO 82 HD2 -0.13 0.09 0.13 -0.04 3.68 3.73 2og7A1 PRO 82 HD3 -0.19 0.14 0.15 -0.04 3.65 3.71 2og7A1 VAL 83 H -0.06 0.31 0.22 -0.55 8.24 8.16 2og7A1 VAL 83 HA -0.18 0.04 0.46 -0.75 4.13 3.70 2og7A1 VAL 83 HB -0.16 0.02 0.02 -0.04 2.12 1.96 2og7A1 VAL 83 HG13 -0.14 0.04 -0.18 -0.04 0.97 0.66 2og7A1 VAL 83 HG23 -0.07 0.01 -0.00 -0.04 0.95 0.84 2og7A1 ASP 84 H -0.15 0.14 0.02 -0.55 8.40 7.86 2og7A1 ASP 84 HA 0.09 0.10 0.58 -0.75 4.63 4.66 2og7A1 ASP 84 HB2 -0.04 0.01 0.07 -0.04 2.71 2.71 2og7A1 ASP 84 HB3 -0.03 0.06 0.16 -0.04 2.70 2.84 2og7A1 SER 85 H 0.01 0.38 0.17 -0.55 8.46 8.48 2og7A1 SER 85 HA -0.02 0.15 0.28 -0.75 4.49 4.14 2og7A1 SER 85 HB2 0.01 -0.06 0.16 -0.04 3.95 4.02 2og7A1 SER 85 HB3 0.01 0.05 0.03 -0.04 3.93 3.98 2og7A1 MET 86 H 0.04 0.02 -0.07 -0.55 8.47 7.92 2og7A1 MET 86 HA 0.03 0.14 0.43 -0.75 4.52 4.38 2og7A1 MET 86 HB2 0.05 -0.06 0.04 -0.04 2.15 2.14 2og7A1 MET 86 HB3 0.03 0.05 0.02 -0.04 2.03 2.09 2og7A1 MET 86 HG2 0.02 0.05 0.03 -0.04 2.63 2.69 2og7A1 MET 86 HG3 0.03 -0.07 0.06 -0.04 2.56 2.54 2og7A1 MET 86 HE3 0.01 0.01 -0.00 -0.04 2.10 2.07 2og7A1 GLY 87 H 0.07 -0.02 -0.35 -0.55 8.43 7.59 2og7A1 GLY 87 HA2 0.06 0.12 0.54 -0.51 4.01 4.22 2og7A1 GLY 87 HA3 0.09 -0.09 0.26 -0.51 4.01 3.76 2og7A1 LEU 88 H 0.04 0.21 -0.45 -0.55 8.37 7.62 2og7A1 LEU 88 HA 0.04 -0.04 0.35 -0.75 4.35 3.95 2og7A1 LEU 88 HB2 -0.03 -0.01 0.08 -0.04 1.64 1.64 2og7A1 LEU 88 HB3 0.06 0.08 0.11 -0.04 1.64 1.85 2og7A1 LEU 88 HG 0.17 0.22 -0.12 -0.04 1.64 1.87 2og7A1 LEU 88 HD13 -0.47 -0.06 -0.05 -0.04 0.93 0.30 2og7A1 LEU 88 HD23 -0.09 -0.04 -0.13 -0.04 0.89 0.59 2og7A1 PRO 89 HA 0.11 0.09 0.46 -0.51 4.44 4.59 2og7A1 PRO 89 HB2 0.10 0.08 0.08 -0.04 2.28 2.51 2og7A1 PRO 89 HB3 0.10 -0.04 0.12 -0.04 2.02 2.17 2og7A1 PRO 89 HG2 0.44 0.09 -0.07 -0.04 2.03 2.45 2og7A1 PRO 89 HG3 0.22 -0.05 0.05 -0.04 2.03 2.21 2og7A1 PRO 89 HD2 0.23 -0.02 0.16 -0.04 3.68 4.01 2og7A1 PRO 89 HD3 0.13 0.17 0.24 -0.04 3.65 4.14 2og7A1 PRO 90 HA 0.07 0.23 0.55 -0.51 4.44 4.78 2og7A1 PRO 90 HB2 -0.03 -0.01 -0.04 -0.04 2.28 2.16 2og7A1 PRO 90 HB3 0.01 -0.01 0.16 -0.04 2.02 2.13 2og7A1 PRO 90 HG2 0.01 -0.02 0.07 -0.04 2.03 2.04 2og7A1 PRO 90 HG3 0.03 0.05 0.09 -0.04 2.03 2.16 2og7A1 PRO 90 HD2 0.04 0.04 0.17 -0.04 3.68 3.89 2og7A1 PRO 90 HD3 0.06 0.11 0.20 -0.04 3.65 3.97 2og7A1 THR 91 H -0.00 0.47 0.21 -0.55 8.28 8.42 2og7A1 THR 91 HA -0.86 0.09 0.39 -0.75 4.39 3.25 2og7A1 THR 91 HB -0.08 -0.37 -0.04 -0.04 4.32 3.78 2og7A1 THR 91 HG23 -0.33 0.07 -0.14 -0.04 1.22 0.78 2og7A1 PRO 92 HA -0.25 0.01 0.48 -0.51 4.44 4.17 2og7A1 PRO 92 HB2 -0.33 0.03 -0.03 -0.04 2.28 1.91 2og7A1 PRO 92 HB3 -0.24 -0.04 0.09 -0.04 2.02 1.80 2og7A1 PRO 92 HG2 -0.60 -0.02 0.01 -0.04 2.03 1.38 2og7A1 PRO 92 HG3 -0.46 0.06 0.05 -0.04 2.03 1.64 2og7A1 PRO 92 HD2 -1.98 0.06 0.14 -0.04 3.68 1.86 2og7A1 PRO 92 HD3 -2.13 0.25 0.17 -0.04 3.65 1.90 2og7A1 ARG 93 H -0.13 0.06 0.14 -0.55 8.46 7.98 2og7A1 ARG 93 HA -0.08 0.35 0.81 -0.75 4.34 4.67 2og7A1 ARG 93 HB2 -0.08 -0.03 0.05 -0.04 1.90 1.80 2og7A1 ARG 93 HB3 -0.11 -0.03 0.22 -0.04 1.80 1.84 2og7A1 ARG 93 HG2 0.05 0.11 -0.04 -0.04 1.67 1.75 2og7A1 ARG 93 HG3 -0.04 0.10 -0.16 -0.04 1.67 1.53 2og7A1 ARG 93 HD2 -0.04 -0.01 0.07 -0.04 3.22 3.20 2og7A1 ARG 93 HD3 0.13 -0.27 -0.09 -0.04 3.22 2.96 2og7A1 VAL 94 H -0.12 0.03 -0.01 -0.55 8.24 7.60 2og7A1 VAL 94 HA -0.10 0.16 0.89 -0.75 4.13 4.33 2og7A1 VAL 94 HB -0.07 0.12 0.05 -0.04 2.12 2.17 2og7A1 VAL 94 HG13 -0.07 -0.02 -0.02 -0.04 0.97 0.82 2og7A1 VAL 94 HG23 -0.08 -0.02 -0.08 -0.04 0.95 0.73 2og7A1 ASN 95 H -0.10 0.12 0.12 -0.55 8.53 8.13 2og7A1 ASN 95 HA -0.09 0.10 0.56 -0.75 4.76 4.58 2og7A1 ASN 95 HB2 -0.13 0.03 0.11 -0.04 2.88 2.85 2og7A1 ASN 95 HB3 -0.10 0.03 -0.01 -0.04 2.79 2.67 2og7A1 ASN 95 HD21 -0.15 0.00 -0.00 -0.04 7.03 6.84 2og7A1 ASN 95 HD22 -0.09 0.04 -0.06 -0.04 7.74 7.59 2og7A1 GLY 96 H -0.06 0.13 0.14 -0.55 8.43 8.10 2og7A1 GLY 96 HA2 -0.03 -0.01 0.31 -0.51 4.01 3.77 2og7A1 GLY 96 HA3 -0.04 0.07 0.38 -0.51 4.01 3.91 2og7A1 SER 97 H -0.05 0.13 -0.27 -0.55 8.46 7.73 2og7A1 SER 97 HA -0.04 0.02 0.30 -0.75 4.49 4.02 2og7A1 SER 97 HB2 -0.10 0.15 -0.00 -0.04 3.95 3.96 2og7A1 SER 97 HB3 -0.07 -0.01 0.04 -0.04 3.93 3.86 2og7A1 VAL 98 H -0.02 0.23 0.29 -0.55 8.24 8.20 2og7A1 VAL 98 HA 0.01 -0.01 0.91 -0.75 4.13 4.29 2og7A1 VAL 98 HB -0.03 0.04 0.07 -0.04 2.12 2.16 2og7A1 VAL 98 HG13 -0.02 0.08 -0.17 -0.04 0.97 0.82 2og7A1 VAL 98 HG23 -0.03 -0.01 -0.05 -0.04 0.95 0.82 2og7A1 GLN 99 H -0.02 0.77 0.20 -0.55 8.47 8.88 2og7A1 GLN 99 HA 0.00 0.09 0.78 -0.75 4.36 4.47 2og7A1 GLN 99 HB2 0.03 -0.01 -0.08 -0.04 2.15 2.05 2og7A1 GLN 99 HB3 -0.06 0.01 0.14 -0.04 2.02 2.07 2og7A1 GLN 99 HG2 -0.08 -0.16 -0.06 -0.04 2.40 2.05 2og7A1 GLN 99 HG3 -0.12 0.19 -0.13 -0.04 2.39 2.28 2og7A1 GLN 99 HE21 -0.00 -0.01 -0.08 -0.04 6.97 6.84 2og7A1 GLN 99 HE22 -0.08 0.53 -0.15 -0.04 7.69 7.95 2og7A1 ARG 100 H -0.05 0.23 0.12 -0.55 8.46 8.21 2og7A1 ARG 100 HA -0.12 0.08 0.61 -0.75 4.34 4.16 2og7A1 ARG 100 HB2 -0.06 0.01 0.07 -0.04 1.90 1.87 2og7A1 ARG 100 HB3 -0.07 -0.03 0.03 -0.04 1.80 1.69 2og7A1 ARG 100 HG2 -0.04 0.03 -0.10 -0.04 1.67 1.51 2og7A1 ARG 100 HG3 -0.04 0.02 -0.01 -0.04 1.67 1.60 2og7A1 ARG 100 HD2 -0.06 -0.04 -0.00 -0.04 3.22 3.08 2og7A1 ARG 100 HD3 -0.07 -0.02 -0.10 -0.04 3.22 2.99 2og7A1 GLU 101 H -0.08 0.03 0.01 -0.55 8.60 8.01 2og7A1 GLU 101 HA -0.14 0.12 0.73 -0.75 4.29 4.24 2og7A1 GLU 101 HB2 -0.04 -0.01 0.04 -0.04 2.09 2.04 2og7A1 GLU 101 HB3 -0.05 0.11 0.10 -0.04 1.99 2.11 2og7A1 GLU 101 HG2 -0.04 -0.11 0.01 -0.04 2.34 2.16 2og7A1 GLU 101 HG3 -0.02 0.04 0.03 -0.04 2.34 2.35 2og7A1 ALA 102 H -0.16 0.14 0.20 -0.55 8.40 8.04 2og7A1 ALA 102 HA -0.42 -0.02 0.54 -0.75 4.34 3.70 2og7A1 ALA 102 HB3 0.15 0.04 0.17 -0.04 1.41 1.73 2og7A1 SER 103 H -0.00 0.24 0.25 -0.55 8.46 8.40 2og7A1 SER 103 HA -0.06 0.18 0.51 -0.75 4.49 4.37 2og7A1 SER 103 HB2 -0.12 -0.07 0.12 -0.04 3.95 3.84 2og7A1 SER 103 HB3 -0.07 0.26 -0.24 -0.04 3.93 3.84 2og7A1 LEU 104 H -0.28 0.21 0.12 -0.55 8.37 7.88 2og7A1 LEU 104 HA -0.27 0.16 0.41 -0.75 4.35 3.89 2og7A1 LEU 104 HB2 -0.40 -0.11 0.10 -0.04 1.64 1.19 2og7A1 LEU 104 HB3 -0.38 0.19 -0.11 -0.04 1.64 1.30 2og7A1 LEU 104 HG -1.32 0.02 -0.01 -0.04 1.64 0.29 2og7A1 LEU 104 HD13 -0.90 -0.02 -0.16 -0.04 0.93 -0.19 2og7A1 LEU 104 HD23 -1.32 0.04 -0.19 -0.04 0.89 -0.61 2og7A1 GLY 105 H -0.18 0.08 -0.12 -0.55 8.43 7.66 2og7A1 GLY 105 HA2 -0.12 0.15 0.37 -0.51 4.01 3.90 2og7A1 GLY 105 HA3 -0.17 0.08 0.21 -0.51 4.01 3.62 2og7A1 ALA 106 H -0.08 0.05 -0.26 -0.55 8.40 7.57 2og7A1 ALA 106 HA -0.04 0.07 0.38 -0.75 4.34 4.00 2og7A1 ALA 106 HB3 -0.18 0.01 0.05 -0.04 1.41 1.25 2og7A1 ALA 107 H 0.15 0.50 -0.21 -0.55 8.40 8.29 2og7A1 ALA 107 HA 0.35 0.03 0.38 -0.75 4.34 4.34 2og7A1 ALA 107 HB3 0.09 0.02 0.13 -0.04 1.41 1.61 2og7A1 VAL 108 H 0.05 0.62 -0.04 -0.55 8.24 8.31 2og7A1 VAL 108 HA 0.32 0.01 0.34 -0.75 4.13 4.04 2og7A1 VAL 108 HB 0.02 0.06 0.14 -0.04 2.12 2.29 2og7A1 VAL 108 HG13 0.17 -0.02 -0.18 -0.04 0.97 0.90 2og7A1 VAL 108 HG23 -0.02 0.05 0.05 -0.04 0.95 0.98 2og7A1 LEU 109 H 0.04 0.56 -0.16 -0.55 8.37 8.26 2og7A1 LEU 109 HA -0.01 0.01 0.30 -0.75 4.35 3.89 2og7A1 LEU 109 HB2 -0.02 0.05 0.07 -0.04 1.64 1.70 2og7A1 LEU 109 HB3 -0.04 0.01 -0.09 -0.04 1.64 1.47 2og7A1 LEU 109 HG -0.03 -0.01 -0.04 -0.04 1.64 1.51 2og7A1 LEU 109 HD13 -0.07 -0.00 -0.30 -0.04 0.93 0.51 2og7A1 LEU 109 HD23 -0.04 -0.01 -0.14 -0.04 0.89 0.66 2og7A1 LEU 110 H 0.09 0.67 -0.12 -0.55 8.37 8.47 2og7A1 LEU 110 HA -0.04 0.04 0.30 -0.75 4.35 3.89 2og7A1 LEU 110 HB2 0.29 0.07 0.08 -0.04 1.64 2.03 2og7A1 LEU 110 HB3 0.08 -0.03 0.03 -0.04 1.64 1.68 2og7A1 LEU 110 HG 0.06 0.06 0.02 -0.04 1.64 1.73 2og7A1 LEU 110 HD13 0.12 -0.03 -0.06 -0.04 0.93 0.91 2og7A1 LEU 110 HD23 -0.07 -0.02 -0.11 -0.04 0.89 0.66 2og7A1 MET 111 H 0.08 0.60 -0.14 -0.55 8.47 8.46 2og7A1 MET 111 HA -0.04 0.11 0.40 -0.75 4.52 4.23 2og7A1 MET 111 HB2 0.32 0.08 0.12 -0.04 2.15 2.63 2og7A1 MET 111 HB3 0.23 -0.07 -0.01 -0.04 2.03 2.14 2og7A1 MET 111 HG2 0.11 0.12 0.12 -0.04 2.63 2.94 2og7A1 MET 111 HG3 0.13 0.14 0.09 -0.04 2.56 2.88 2og7A1 MET 111 HE3 0.38 -0.04 -0.22 -0.04 2.10 2.18 2og7A1 THR 112 H -0.12 0.56 -0.18 -0.55 8.28 7.99 2og7A1 THR 112 HA -1.24 -0.00 0.26 -0.75 4.39 2.65 2og7A1 THR 112 HB -0.17 0.10 0.05 -0.04 4.32 4.26 2og7A1 THR 112 HG23 -0.28 -0.03 -0.11 -0.04 1.22 0.76 2og7A1 ALA 113 H -0.23 0.56 -0.24 -0.55 8.40 7.95 2og7A1 ALA 113 HA -0.21 -0.03 0.21 -0.75 4.34 3.56 2og7A1 ALA 113 HB3 -0.11 0.02 -0.08 -0.04 1.41 1.20 2og7A1 CYS 114 H -0.33 0.49 -0.29 -0.55 8.50 7.83 2og7A1 CYS 114 HA -0.19 0.20 0.47 -0.75 4.58 4.30 2og7A1 CYS 114 HB2 -0.26 0.13 0.07 -0.04 2.97 2.87 2og7A1 CYS 114 HB3 -0.15 -0.07 0.11 -0.04 2.97 2.82 2og7A1 GLY 115 H -1.20 0.31 -0.40 -0.55 8.43 6.58 2og7A1 GLY 115 HA2 -1.14 0.03 0.58 -0.51 4.01 2.98 2og7A1 GLY 115 HA3 -2.41 -0.05 0.25 -0.51 4.01 1.29 2og7A1 LEU 116 H -0.53 0.38 -0.16 -0.55 8.37 7.52 2og7A1 LEU 116 HA -0.18 0.09 0.56 -0.75 4.35 4.06 2og7A1 LEU 116 HB2 -0.25 0.05 -0.05 -0.04 1.64 1.36 2og7A1 LEU 116 HB3 -0.19 -0.08 -0.10 -0.04 1.64 1.24 2og7A1 LEU 116 HG -0.38 0.00 -0.12 -0.04 1.64 1.09 2og7A1 LEU 116 HD13 -0.48 -0.03 -0.16 -0.04 0.93 0.23 2og7A1 LEU 116 HD23 -0.30 0.00 -0.08 -0.04 0.89 0.47 2og7A1 GLY 117 H -0.19 0.42 -0.31 -0.55 8.43 7.81 2og7A1 GLY 117 HA2 -0.01 0.01 0.24 -0.51 4.01 3.73 2og7A1 GLY 117 HA3 0.02 0.03 0.53 -0.51 4.01 4.08 2og7A1 ASP 118 H 0.02 0.44 0.26 -0.55 8.40 8.58 2og7A1 ASP 118 HA -0.02 0.15 0.42 -0.75 4.63 4.42 2og7A1 ASP 118 HB2 0.08 -0.13 0.05 -0.04 2.71 2.68 2og7A1 ASP 118 HB3 0.23 0.11 0.08 -0.04 2.70 3.08 2og7A1 PRO 119 HA 0.01 0.36 0.77 -0.51 4.44 5.06 2og7A1 PRO 119 HB2 -0.10 0.03 0.04 -0.04 2.28 2.20 2og7A1 PRO 119 HB3 -0.09 -0.01 0.11 -0.04 2.02 1.98 2og7A1 PRO 119 HG2 -0.48 0.01 0.04 -0.04 2.03 1.56 2og7A1 PRO 119 HG3 -0.26 0.01 0.07 -0.04 2.03 1.80 2og7A1 PRO 119 HD2 -0.06 0.08 0.19 -0.04 3.68 3.85 2og7A1 PRO 119 HD3 -0.12 0.12 -0.00 -0.04 3.65 3.61 2og7A1 GLY 120 H 0.07 0.49 0.34 -0.55 8.43 8.78 2og7A1 GLY 120 HA2 0.06 0.24 0.50 -0.51 4.01 4.30 2og7A1 GLY 120 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.83 2og7A1 ALA 121 H -0.13 0.58 0.39 -0.55 8.40 8.69 2og7A1 ALA 121 HA 0.16 0.07 0.51 -0.75 4.34 4.32 2og7A1 ALA 121 HB3 0.03 0.05 -0.21 -0.04 1.41 1.25 2og7A1 PHE 122 H 0.28 0.24 0.15 -0.55 8.34 8.46 2og7A1 PHE 122 HA 0.08 0.31 1.00 -0.75 4.62 5.26 2og7A1 PHE 122 HB2 -0.04 -0.07 0.10 -0.04 3.15 3.10 2og7A1 PHE 122 HB3 0.21 0.03 0.02 -0.04 3.06 3.28 2og7A1 PHE 122 HD2 0.08 -0.00 -0.06 -0.04 7.28 7.25 2og7A1 PHE 122 HE2 -0.68 -0.00 -0.19 -0.04 7.38 6.47 2og7A1 PHE 122 HZ -0.27 0.20 -0.12 -0.04 7.32 7.09 2og7A1 LEU 123 H 0.13 0.69 0.23 -0.55 8.37 8.86 2og7A1 LEU 123 HA 0.03 0.03 0.10 -0.75 4.35 3.76 2og7A1 LEU 123 HB2 0.06 0.05 -0.05 -0.04 1.64 1.66 2og7A1 LEU 123 HB3 0.10 -0.01 0.10 -0.04 1.64 1.79 2og7A1 LEU 123 HG 0.04 -0.02 -0.20 -0.04 1.64 1.41 2og7A1 LEU 123 HD13 0.02 -0.00 -0.11 -0.04 0.93 0.80 2og7A1 LEU 123 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.84 2og7A1 PRO 124 HA -0.02 0.09 0.52 -0.51 4.44 4.52 2og7A1 PRO 124 HB2 -0.04 -0.01 -0.06 -0.04 2.28 2.12 2og7A1 PRO 124 HB3 0.09 0.07 0.09 -0.04 2.02 2.22 2og7A1 PRO 124 HG2 0.35 0.02 -0.01 -0.04 2.03 2.35 2og7A1 PRO 124 HG3 0.15 -0.00 0.02 -0.04 2.03 2.15 2og7A1 PRO 124 HD2 0.18 0.08 -0.14 -0.04 3.68 3.76 2og7A1 PRO 124 HD3 0.18 0.07 0.15 -0.04 3.65 4.02 2og7A1 GLU 125 H -0.20 0.54 -0.43 -0.55 8.60 7.96 2og7A1 GLU 125 HA -0.21 0.36 0.99 -0.75 4.29 4.67 2og7A1 GLU 125 HB2 -1.27 -0.03 -0.19 -0.04 2.09 0.57 2og7A1 GLU 125 HB3 -0.30 0.01 0.09 -0.04 1.99 1.74 2og7A1 GLU 125 HG2 0.06 0.03 -0.37 -0.04 2.34 2.02 2og7A1 GLU 125 HG3 -0.00 -0.02 -0.09 -0.04 2.34 2.19 2og7A1 LYS 126 H -0.04 0.25 0.16 -0.55 8.42 8.23 2og7A1 LYS 126 HA -0.02 0.03 0.31 -0.75 4.32 3.90 2og7A1 LYS 126 HB2 0.01 0.17 -0.05 -0.04 1.87 1.96 2og7A1 LYS 126 HB3 -0.01 0.00 0.16 -0.04 1.79 1.90 2og7A1 LYS 126 HG2 0.03 -0.07 -0.04 -0.04 1.46 1.33 2og7A1 LYS 126 HG3 0.03 0.03 -0.07 -0.04 1.46 1.41 2og7A1 LYS 126 HD2 -0.01 0.12 -0.14 -0.04 1.69 1.63 2og7A1 LYS 126 HD3 -0.00 -0.12 0.04 -0.04 1.68 1.55 2og7A1 LYS 126 HE2 0.03 -0.14 0.03 -0.04 2.99 2.87 2og7A1 LYS 126 HE3 0.02 0.01 -0.00 -0.04 2.99 2.98 2og7A1 ASN 127 H -0.03 0.12 -0.39 -0.55 8.53 7.69 2og7A1 ASN 127 HA -0.01 0.21 0.25 -0.75 4.76 4.46 2og7A1 ASN 127 HB2 -0.02 0.07 -0.25 -0.04 2.88 2.65 2og7A1 ASN 127 HB3 -0.01 -0.03 0.16 -0.04 2.79 2.87 2og7A1 ASN 127 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.93 2og7A1 ASN 127 HD22 -0.02 -0.01 -0.04 -0.04 7.74 7.64 2og7A1 GLY 128 H -0.00 0.49 -0.50 -0.55 8.43 7.88 2og7A1 GLY 128 HA2 0.03 -0.01 -0.07 -0.51 4.01 3.45 2og7A1 GLY 128 HA3 0.01 -0.06 0.10 -0.51 4.01 3.56 2og7A1 ALA 129 H -0.01 0.50 -0.33 -0.55 8.40 8.01 2og7A1 ALA 129 HA -0.04 -0.03 0.34 -0.75 4.34 3.86 2og7A1 ALA 129 HB3 -0.04 -0.01 -0.02 -0.04 1.41 1.30 2og7A1 LEU 130 H -0.07 0.07 0.10 -0.55 8.37 7.93 2og7A1 LEU 130 HA -0.07 0.18 0.46 -0.75 4.35 4.16 2og7A1 LEU 130 HB2 -0.10 -0.05 -0.03 -0.04 1.64 1.42 2og7A1 LEU 130 HB3 -0.09 -0.01 0.01 -0.04 1.64 1.51 2og7A1 LEU 130 HG -0.05 -0.04 0.01 -0.04 1.64 1.52 2og7A1 LEU 130 HD13 -0.19 0.03 -0.03 -0.04 0.93 0.70 2og7A1 LEU 130 HD23 -0.01 0.01 -0.24 -0.04 0.89 0.61 2og7A1 VAL 131 H -0.09 0.07 -0.15 -0.55 8.24 7.51 2og7A1 VAL 131 HA -0.11 0.33 0.88 -0.75 4.13 4.48 2og7A1 VAL 131 HB -0.10 0.06 0.16 -0.04 2.12 2.20 2og7A1 VAL 131 HG13 -0.06 -0.03 -0.19 -0.04 0.97 0.64 2og7A1 VAL 131 HG23 -0.10 -0.02 -0.15 -0.04 0.95 0.65 2og7A1 GLN 132 H -0.10 0.61 0.28 -0.55 8.47 8.72 2og7A1 GLN 132 HA -0.02 0.08 0.92 -0.75 4.36 4.59 2og7A1 GLN 132 HB2 -0.11 -0.02 0.05 -0.04 2.15 2.03 2og7A1 GLN 132 HB3 -0.02 0.05 -0.01 -0.04 2.02 2.00 2og7A1 GLN 132 HG2 -0.05 -0.01 -0.17 -0.04 2.40 2.13 2og7A1 GLN 132 HG3 -0.13 0.04 -0.37 -0.04 2.39 1.88 2og7A1 GLN 132 HE21 0.15 -0.16 -0.02 -0.04 6.97 6.90 2og7A1 GLN 132 HE22 -0.04 0.64 -0.00 -0.04 7.69 8.26 2og7A1 ASP 133 H 0.04 0.51 0.26 -0.55 8.40 8.66 2og7A1 ASP 133 HA 0.22 0.17 0.76 -0.75 4.63 5.03 2og7A1 ASP 133 HB2 0.02 0.04 -0.03 -0.04 2.71 2.70 2og7A1 ASP 133 HB3 0.05 0.05 -0.10 -0.04 2.70 2.66 2og7A1 VAL 134 H 0.21 0.78 0.26 -0.55 8.24 8.93 2og7A1 VAL 134 HA 0.09 0.11 0.80 -0.75 4.13 4.38 2og7A1 VAL 134 HB 0.12 -0.14 0.17 -0.04 2.12 2.23 2og7A1 VAL 134 HG13 0.12 -0.00 -0.05 -0.04 0.97 0.99 2og7A1 VAL 134 HG23 0.08 0.01 -0.20 -0.04 0.95 0.80 2og7A1 VAL 135 H 0.04 0.27 -0.02 -0.55 8.24 7.97 2og7A1 VAL 135 HA 0.07 0.26 0.84 -0.75 4.13 4.54 2og7A1 VAL 135 HB -0.14 0.19 0.02 -0.04 2.12 2.15 2og7A1 VAL 135 HG13 -0.38 -0.03 -0.15 -0.04 0.97 0.37 2og7A1 VAL 135 HG23 -0.12 -0.05 -0.23 -0.04 0.95 0.50 2og7A1 PRO 136 HA 0.09 0.27 0.52 -0.51 4.44 4.81 2og7A1 PRO 136 HB2 0.07 -0.08 -0.09 -0.04 2.28 2.14 2og7A1 PRO 136 HB3 0.05 0.11 -0.02 -0.04 2.02 2.12 2og7A1 PRO 136 HG2 0.09 -0.09 0.12 -0.04 2.03 2.10 2og7A1 PRO 136 HG3 0.24 -0.12 0.09 -0.04 2.03 2.20 2og7A1 PRO 136 HD2 0.07 0.19 0.21 -0.04 3.68 4.10 2og7A1 PRO 136 HD3 0.21 0.15 0.14 -0.04 3.65 4.11 2og7A1 VAL 137 H 0.04 0.58 0.22 -0.55 8.24 8.53 2og7A1 VAL 137 HA -0.05 0.27 0.90 -0.75 4.13 4.50 2og7A1 VAL 137 HB -0.12 -0.10 0.05 -0.04 2.12 1.91 2og7A1 VAL 137 HG13 -0.15 0.09 -0.17 -0.04 0.97 0.70 2og7A1 VAL 137 HG23 -0.07 0.02 -0.41 -0.04 0.95 0.44 2og7A1 PRO 138 HA -0.59 -0.04 0.42 -0.51 4.44 3.71 2og7A1 PRO 138 HB2 -0.33 0.03 0.08 -0.04 2.28 2.02 2og7A1 PRO 138 HB3 -0.58 0.02 0.11 -0.04 2.02 1.52 2og7A1 PRO 138 HG2 -0.39 0.06 0.13 -0.04 2.03 1.79 2og7A1 PRO 138 HG3 -1.26 0.02 0.10 -0.04 2.03 0.85 2og7A1 PRO 138 HD2 -0.26 0.32 0.29 -0.04 3.68 3.99 2og7A1 PRO 138 HD3 -0.36 0.20 0.25 -0.04 3.65 3.71 2og7A1 GLY 139 H -0.10 0.10 0.21 -0.55 8.43 8.09 2og7A1 GLY 139 HA2 -0.04 -0.01 0.40 -0.51 4.01 3.86 2og7A1 GLY 139 HA3 -0.08 0.19 0.60 -0.51 4.01 4.21 2og7A1 MET 140 H -0.08 0.65 -0.25 -0.55 8.47 8.25 2og7A1 MET 140 HA -0.02 0.14 0.75 -0.75 4.52 4.63 2og7A1 MET 140 HB2 -0.13 0.28 0.01 -0.04 2.15 2.27 2og7A1 MET 140 HB3 -0.37 -0.14 0.01 -0.04 2.03 1.49 2og7A1 MET 140 HG2 -0.22 0.13 -0.26 -0.04 2.63 2.24 2og7A1 MET 140 HG3 -0.30 -0.05 -0.07 -0.04 2.56 2.10 2og7A1 MET 140 HE3 -0.20 0.00 -0.08 -0.04 2.10 1.78 2og7A1 GLU 141 H 0.04 0.06 -0.21 -0.55 8.60 7.94 2og7A1 GLU 141 HA 0.02 0.06 0.32 -0.75 4.29 3.94 2og7A1 GLU 141 HB2 0.03 -0.01 0.06 -0.04 2.09 2.14 2og7A1 GLU 141 HB3 -0.00 0.05 -0.00 -0.04 1.99 1.99 2og7A1 GLU 141 HG2 0.03 0.07 0.02 -0.04 2.34 2.43 2og7A1 GLU 141 HG3 0.06 0.07 0.03 -0.04 2.34 2.46 2og7A1 GLU 142 H 0.12 0.10 -0.33 -0.55 8.60 7.95 2og7A1 GLU 142 HA 0.04 0.12 0.51 -0.75 4.29 4.20 2og7A1 GLU 142 HB2 0.06 0.02 -0.02 -0.04 2.09 2.11 2og7A1 GLU 142 HB3 -0.00 0.03 0.10 -0.04 1.99 2.08 2og7A1 GLU 142 HG2 0.03 -0.10 -0.04 -0.04 2.34 2.19 2og7A1 GLU 142 HG3 0.02 0.03 -0.01 -0.04 2.34 2.34 2og7A1 PHE 143 H 0.33 0.48 -0.34 -0.55 8.34 8.26 2og7A1 PHE 143 HA -0.01 0.03 0.48 -0.75 4.62 4.37 2og7A1 PHE 143 HB2 0.00 0.26 0.06 -0.04 3.15 3.42 2og7A1 PHE 143 HB3 0.01 -0.10 -0.21 -0.04 3.06 2.71 2og7A1 PHE 143 HD2 -0.00 -0.07 -0.11 -0.04 7.28 7.05 2og7A1 PHE 143 HE2 -0.01 0.05 -0.07 -0.04 7.38 7.31 2og7A1 PHE 143 HZ -0.01 0.01 -0.04 -0.04 7.32 7.24 2og7A1 GLN 144 H -0.07 0.15 0.14 -0.55 8.47 8.15 2og7A1 GLN 144 HA 0.03 0.18 0.70 -0.75 4.36 4.52 2og7A1 GLN 144 HB2 -0.06 -0.03 0.26 -0.04 2.15 2.28 2og7A1 GLN 144 HB3 -0.05 -0.02 0.18 -0.04 2.02 2.09 2og7A1 GLN 144 HG2 -0.04 0.08 0.07 -0.04 2.40 2.47 2og7A1 GLN 144 HG3 -0.04 -0.01 0.09 -0.04 2.39 2.39 2og7A1 GLN 144 HE21 0.00 0.53 0.10 -0.04 6.97 7.55 2og7A1 GLN 144 HE22 -0.01 0.01 -0.09 -0.04 7.69 7.56 2og7A1 GLY 145 H 0.11 0.62 -0.08 -0.55 8.43 8.53 2og7A1 GLY 145 HA2 0.06 0.12 0.36 -0.51 4.01 4.04 2og7A1 GLY 145 HA3 0.13 -0.04 0.27 -0.51 4.01 3.86 2og7A1 ASN 146 H 0.12 0.13 0.11 -0.55 8.53 8.34 2og7A1 ASN 146 HA 0.13 0.12 0.14 -0.75 4.76 4.40 2og7A1 ASN 146 HB2 0.10 0.06 0.12 -0.04 2.88 3.12 2og7A1 ASN 146 HB3 0.13 -0.01 0.09 -0.04 2.79 2.97 2og7A1 ASN 146 HD21 0.07 -0.01 0.05 -0.04 7.03 7.10 2og7A1 ASN 146 HD22 0.12 -0.02 0.07 -0.04 7.74 7.87 2og7A1 ALA 147 H 0.05 -0.06 -0.32 -0.55 8.40 7.53 2og7A1 ALA 147 HA 0.03 0.55 0.78 -0.75 4.34 4.95 2og7A1 ALA 147 HB3 -0.09 -0.05 0.06 -0.04 1.41 1.29 2og7A1 GLY 148 H 0.09 0.35 -0.23 -0.55 8.43 8.10 2og7A1 GLY 148 HA2 0.06 0.13 0.44 -0.51 4.01 4.13 2og7A1 GLY 148 HA3 0.10 0.25 0.37 -0.51 4.01 4.21 2og7A1 SER 149 H -0.03 0.27 0.39 -0.55 8.46 8.54 2og7A1 SER 149 HA -0.16 0.19 0.53 -0.75 4.49 4.29 2og7A1 SER 149 HB2 -1.01 0.11 0.22 -0.04 3.95 3.23 2og7A1 SER 149 HB3 -0.77 0.02 -0.01 -0.04 3.93 3.13 2og7A1 THR 150 H -0.01 0.35 0.31 -0.55 8.28 8.39 2og7A1 THR 150 HA -0.01 0.02 0.73 -0.75 4.39 4.38 2og7A1 THR 150 HB 0.00 -0.04 0.08 -0.04 4.32 4.31 2og7A1 THR 150 HG23 0.02 0.08 -0.16 -0.04 1.22 1.13 2og7A1 LEU 151 H 0.01 0.03 0.10 -0.55 8.37 7.96 2og7A1 LEU 151 HA 0.03 0.15 0.26 -0.75 4.35 4.03 2og7A1 LEU 151 HB2 0.01 -0.07 0.13 -0.04 1.64 1.67 2og7A1 LEU 151 HB3 0.00 -0.04 0.09 -0.04 1.64 1.66 2og7A1 LEU 151 HG -0.03 0.12 -0.05 -0.04 1.64 1.64 2og7A1 LEU 151 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 2og7A1 LEU 151 HD23 -0.05 -0.02 -0.51 -0.04 0.89 0.28 2og7A1 LEU 152 H 0.01 0.72 0.27 -0.55 8.37 8.82 2og7A1 LEU 152 HA 0.01 0.03 0.71 -0.75 4.35 4.35 2og7A1 LEU 152 HB2 0.08 0.12 0.00 -0.04 1.64 1.80 2og7A1 LEU 152 HB3 0.05 -0.12 0.21 -0.04 1.64 1.73 2og7A1 LEU 152 HG 0.14 0.16 -0.20 -0.04 1.64 1.70 2og7A1 LEU 152 HD13 0.02 -0.03 -0.09 -0.04 0.93 0.78 2og7A1 LEU 152 HD23 0.21 -0.00 -0.21 -0.04 0.89 0.85 2og7A1 THR 153 H -0.01 0.10 0.12 -0.55 8.28 7.94 2og7A1 THR 153 HA -0.11 0.04 0.26 -0.75 4.39 3.83 2og7A1 THR 153 HB 0.07 -0.01 0.03 -0.04 4.32 4.37 2og7A1 THR 153 HG23 0.01 0.04 -0.02 -0.04 1.22 1.21 2og7A1 PHE 154 H 0.04 0.05 0.10 -0.55 8.34 7.99 2og7A1 PHE 154 HA -0.14 0.36 0.34 -0.75 4.62 4.43 2og7A1 PHE 154 HB2 0.04 -0.08 0.04 -0.04 3.15 3.11 2og7A1 PHE 154 HB3 -0.41 0.02 -0.16 -0.04 3.06 2.46 2og7A1 PHE 154 HD2 -0.05 -0.02 -0.28 -0.04 7.28 6.90 2og7A1 PHE 154 HE2 0.03 0.00 -0.34 -0.04 7.38 7.02 2og7A1 PHE 154 HZ 0.03 0.06 -0.28 -0.04 7.32 7.10 2og7A1 HIS 155 H -0.39 0.51 0.39 -0.55 8.41 8.37 2og7A1 HIS 155 HA -0.06 0.06 0.73 -0.75 4.63 4.61 2og7A1 HIS 155 HB2 -0.08 0.12 0.18 -0.04 3.26 3.45 2og7A1 HIS 155 HB3 -0.06 -0.12 -0.09 -0.04 3.20 2.89 2og7A1 HIS 155 HD2 -0.11 0.01 -0.51 -0.04 6.97 6.32 2og7A1 HIS 155 HE1 -0.08 -0.05 -0.14 -0.04 7.75 7.44 2og7A1 ASN 156 H -0.02 0.66 0.36 -0.55 8.53 8.99 2og7A1 ASN 156 HA -0.05 0.17 0.88 -0.75 4.76 5.01 2og7A1 ASN 156 HB2 -0.03 -0.15 0.12 -0.04 2.88 2.78 2og7A1 ASN 156 HB3 -0.03 0.22 0.07 -0.04 2.79 3.00 2og7A1 ASN 156 HD21 -0.07 -0.14 -0.35 -0.04 7.03 6.43 2og7A1 ASN 156 HD22 -0.05 0.14 0.08 -0.04 7.74 7.87 2og7A1 GLU 157 H 0.10 0.21 0.09 -0.55 8.60 8.46 2og7A1 GLU 157 HA 0.29 -0.04 0.39 -0.75 4.29 4.18 2og7A1 GLU 157 HB2 0.29 0.02 0.09 -0.04 2.09 2.45 2og7A1 GLU 157 HB3 -0.03 0.10 0.06 -0.04 1.99 2.07 2og7A1 GLU 157 HG2 -0.12 0.02 -0.04 -0.04 2.34 2.15 2og7A1 GLU 157 HG3 -0.10 -0.02 -0.09 -0.04 2.34 2.08 2og7A1 ASN 158 H 0.04 0.07 0.20 -0.55 8.53 8.29 2og7A1 ASN 158 HA -0.06 -0.05 0.35 -0.75 4.76 4.25 2og7A1 ASN 158 HB2 -0.45 0.17 -0.14 -0.04 2.88 2.42 2og7A1 ASN 158 HB3 -0.58 -0.04 0.12 -0.04 2.79 2.24 2og7A1 ASN 158 HD21 0.09 -0.01 -0.05 -0.04 7.03 7.02 2og7A1 ASN 158 HD22 -0.94 0.06 -0.07 -0.04 7.74 6.76 2og7A1 ALA 159 H 0.00 0.14 -0.20 -0.55 8.40 7.80 2og7A1 ALA 159 HA -0.07 0.19 0.02 -0.75 4.34 3.73 2og7A1 ALA 159 HB3 0.00 0.01 -0.16 -0.04 1.41 1.22 2og7A1 PHE 160 H 0.21 -0.01 -0.42 -0.55 8.34 7.57 2og7A1 PHE 160 HA -0.09 0.08 0.20 -0.75 4.62 4.05 2og7A1 PHE 160 HB2 -0.12 0.09 -0.12 -0.04 3.15 2.96 2og7A1 PHE 160 HB3 -0.15 0.08 -0.46 -0.04 3.06 2.48 2og7A1 PHE 160 HD2 -0.27 -0.04 -0.17 -0.04 7.28 6.76 2og7A1 PHE 160 HE2 -0.85 -0.04 -0.06 -0.04 7.38 6.39 2og7A1 PHE 160 HZ -0.39 -0.02 -0.07 -0.04 7.32 6.80 2og7A1 HIS 161 H -0.62 0.55 -0.40 -0.55 8.41 7.40 2og7A1 HIS 161 HA -0.79 0.00 0.25 -0.75 4.63 3.34 2og7A1 HIS 161 HB2 -1.73 -0.06 -0.01 -0.04 3.26 1.42 2og7A1 HIS 161 HB3 -0.61 0.08 -0.04 -0.04 3.20 2.59 2og7A1 HIS 161 HD2 -0.21 -0.03 -0.10 -0.04 6.97 6.59 2og7A1 HIS 161 HE1 0.28 0.06 -0.10 -0.04 7.75 7.95 2og7A1 GLU 162 H -0.42 0.10 0.14 -0.55 8.60 7.87 2og7A1 GLU 162 HA -0.18 0.15 0.35 -0.75 4.29 3.85 2og7A1 GLU 162 HB2 -0.25 0.01 0.13 -0.04 2.09 1.94 2og7A1 GLU 162 HB3 -0.42 -0.05 0.04 -0.04 1.99 1.52 2og7A1 GLU 162 HG2 -0.55 0.03 -0.12 -0.04 2.34 1.66 2og7A1 GLU 162 HG3 -0.21 0.02 0.05 -0.04 2.34 2.16 2og7A1 HIS 163 H 0.62 -0.01 -0.40 -0.55 8.41 8.08 2og7A1 HIS 163 HA 0.06 0.21 0.70 -0.75 4.63 4.85 2og7A1 HIS 163 HB2 0.26 -0.04 -0.02 -0.04 3.26 3.42 2og7A1 HIS 163 HB3 0.07 -0.00 0.06 -0.04 3.20 3.28 2og7A1 HIS 163 HD2 0.16 -0.01 -0.08 -0.04 6.97 7.00 2og7A1 HIS 163 HE1 0.02 0.01 -0.14 -0.04 7.75 7.59 2og7A1 ARG 164 H -0.01 0.41 -0.45 -0.55 8.46 7.86 2og7A1 ARG 164 HA -0.17 -0.07 0.32 -0.75 4.34 3.66 2og7A1 ARG 164 HB2 -0.17 0.15 -0.01 -0.04 1.90 1.84 2og7A1 ARG 164 HB3 -0.21 0.13 0.09 -0.04 1.80 1.76 2og7A1 ARG 164 HG2 -0.08 -0.04 -0.08 -0.04 1.67 1.43 2og7A1 ARG 164 HG3 -0.08 0.04 -0.26 -0.04 1.67 1.33 2og7A1 ARG 164 HD2 -0.09 -0.05 -0.14 -0.04 3.22 2.90 2og7A1 ARG 164 HD3 -0.12 0.12 -0.06 -0.04 3.22 3.11 2og7A1 PRO 165 HA 0.04 0.02 0.31 -0.51 4.44 4.29 2og7A1 PRO 165 HB2 -0.07 -0.04 -0.13 -0.04 2.28 2.01 2og7A1 PRO 165 HB3 0.06 0.07 0.08 -0.04 2.02 2.19 2og7A1 PRO 165 HG2 -1.02 -0.07 -0.03 -0.04 2.03 0.88 2og7A1 PRO 165 HG3 -0.58 0.03 0.00 -0.04 2.03 1.45 2og7A1 PRO 165 HD2 -0.26 0.24 -0.02 -0.04 3.68 3.59 2og7A1 PRO 165 HD3 -0.27 0.05 0.07 -0.04 3.65 3.46 2og7A1 ASP 166 H -0.01 0.43 0.41 -0.55 8.40 8.68 2og7A1 ASP 166 HA -0.21 0.13 0.77 -0.75 4.63 4.57 2og7A1 ASP 166 HB2 -0.14 0.03 0.18 -0.04 2.71 2.74 2og7A1 ASP 166 HB3 -0.43 -0.00 0.10 -0.04 2.70 2.32 2og7A1 PHE 167 H 0.09 0.38 0.29 -0.55 8.34 8.55 2og7A1 PHE 167 HA 0.07 0.26 1.02 -0.75 4.62 5.22 2og7A1 PHE 167 HB2 0.06 -0.07 -0.02 -0.04 3.15 3.07 2og7A1 PHE 167 HB3 0.10 0.03 -0.06 -0.04 3.06 3.09 2og7A1 PHE 167 HD2 0.12 0.00 -0.21 -0.04 7.28 7.15 2og7A1 PHE 167 HE2 -0.13 0.06 -0.08 -0.04 7.38 7.20 2og7A1 PHE 167 HZ -0.10 0.12 -0.00 -0.04 7.32 7.29 2og7A1 VAL 168 H 0.22 0.60 0.32 -0.55 8.24 8.82 2og7A1 VAL 168 HA 0.31 0.16 0.98 -0.75 4.13 4.83 2og7A1 VAL 168 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 2og7A1 VAL 168 HG13 0.13 -0.00 -0.15 -0.04 0.97 0.90 2og7A1 VAL 168 HG23 0.18 0.00 -0.10 -0.04 0.95 0.99 2og7A1 MET 169 H 0.08 0.63 0.32 -0.55 8.47 8.95 2og7A1 MET 169 HA -0.01 0.33 1.16 -0.75 4.52 5.25 2og7A1 MET 169 HB2 -0.03 -0.03 0.17 -0.04 2.15 2.22 2og7A1 MET 169 HB3 -0.04 -0.03 -0.02 -0.04 2.03 1.90 2og7A1 MET 169 HG2 -0.02 -0.01 -0.19 -0.04 2.63 2.37 2og7A1 MET 169 HG3 0.04 0.04 -0.20 -0.04 2.56 2.40 2og7A1 MET 169 HE3 -0.07 0.00 -0.11 -0.04 2.10 1.88 2og7A1 LEU 170 H -0.05 0.76 0.33 -0.55 8.37 8.86 2og7A1 LEU 170 HA -0.03 0.26 0.98 -0.75 4.35 4.81 2og7A1 LEU 170 HB2 -0.06 -0.02 0.16 -0.04 1.64 1.68 2og7A1 LEU 170 HB3 -0.03 -0.04 -0.02 -0.04 1.64 1.51 2og7A1 LEU 170 HG -0.04 -0.02 -0.44 -0.04 1.64 1.10 2og7A1 LEU 170 HD13 -0.08 -0.00 -0.10 -0.04 0.93 0.71 2og7A1 LEU 170 HD23 0.01 0.01 -0.13 -0.04 0.89 0.74 2og7A1 LEU 171 H -0.05 0.85 0.35 -0.55 8.37 8.97 2og7A1 LEU 171 HA -0.05 0.24 0.99 -0.75 4.35 4.77 2og7A1 LEU 171 HB2 -0.05 0.00 -0.02 -0.04 1.64 1.53 2og7A1 LEU 171 HB3 -0.08 -0.04 0.15 -0.04 1.64 1.62 2og7A1 LEU 171 HG -0.12 -0.01 -0.40 -0.04 1.64 1.07 2og7A1 LEU 171 HD13 -0.05 0.04 -0.23 -0.04 0.93 0.66 2og7A1 LEU 171 HD23 -0.09 -0.02 -0.07 -0.04 0.89 0.67 2og7A1 CYS 172 H -0.06 0.75 0.28 -0.55 8.50 8.93 2og7A1 CYS 172 HA -0.06 0.12 0.75 -0.75 4.58 4.64 2og7A1 CYS 172 HB2 -0.03 -0.03 -0.11 -0.04 2.97 2.76 2og7A1 CYS 172 HB3 -0.05 0.14 -0.03 -0.04 2.97 2.99 2og7A1 LEU 173 H -0.17 0.68 0.39 -0.55 8.37 8.73 2og7A1 LEU 173 HA -0.23 0.01 0.79 -0.75 4.35 4.17 2og7A1 LEU 173 HB2 -0.70 0.14 0.08 -0.04 1.64 1.11 2og7A1 LEU 173 HB3 -0.63 -0.02 -0.02 -0.04 1.64 0.92 2og7A1 LEU 173 HG -0.65 0.07 -0.14 -0.04 1.64 0.87 2og7A1 LEU 173 HD13 -1.50 -0.01 -0.11 -0.04 0.93 -0.73 2og7A1 LEU 173 HD23 -0.32 -0.04 -0.23 -0.04 0.89 0.26 2og7A1 ARG 174 H 0.00 0.46 0.24 -0.55 8.46 8.61 2og7A1 ARG 174 HA 0.02 0.07 0.71 -0.75 4.34 4.39 2og7A1 ARG 174 HB2 0.15 0.03 -0.16 -0.04 1.90 1.88 2og7A1 ARG 174 HB3 0.26 0.00 0.07 -0.04 1.80 2.09 2og7A1 ARG 174 HG2 0.09 0.19 -0.24 -0.04 1.67 1.67 2og7A1 ARG 174 HG3 0.07 -0.09 0.05 -0.04 1.67 1.66 2og7A1 ARG 174 HD2 0.22 0.05 -0.15 -0.04 3.22 3.30 2og7A1 ARG 174 HD3 0.10 -0.01 -0.06 -0.04 3.22 3.21 2og7A1 ALA 175 H 0.01 0.12 0.07 -0.55 8.40 8.05 2og7A1 ALA 175 HA -0.01 0.09 0.52 -0.75 4.34 4.19 2og7A1 ALA 175 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 2og7A1 ASP 176 H -0.07 0.17 0.15 -0.55 8.40 8.10 2og7A1 ASP 176 HA -0.05 0.02 0.69 -0.75 4.63 4.53 2og7A1 ASP 176 HB2 -0.35 0.08 0.17 -0.04 2.71 2.56 2og7A1 ASP 176 HB3 -0.17 0.12 0.21 -0.04 2.70 2.83 2og7A1 PRO 177 HA 0.00 0.14 0.33 -0.51 4.44 4.40 2og7A1 PRO 177 HB2 0.02 -0.00 0.00 -0.04 2.28 2.26 2og7A1 PRO 177 HB3 0.02 0.10 0.10 -0.04 2.02 2.20 2og7A1 PRO 177 HG2 0.02 -0.08 0.01 -0.04 2.03 1.94 2og7A1 PRO 177 HG3 0.03 0.17 -0.01 -0.04 2.03 2.18 2og7A1 PRO 177 HD2 0.02 -0.18 0.28 -0.04 3.68 3.76 2og7A1 PRO 177 HD3 0.03 0.54 0.33 -0.04 3.65 4.51 2og7A1 THR 178 H 0.01 -0.00 -0.29 -0.55 8.28 7.45 2og7A1 THR 178 HA 0.02 0.18 0.46 -0.75 4.39 4.29 2og7A1 THR 178 HB 0.04 0.07 0.11 -0.04 4.32 4.50 2og7A1 THR 178 HG23 0.05 0.07 0.03 -0.04 1.22 1.33 2og7A1 GLY 179 H -0.02 0.20 -0.30 -0.55 8.43 7.77 2og7A1 GLY 179 HA2 -0.01 0.08 0.24 -0.51 4.01 3.81 2og7A1 GLY 179 HA3 0.00 0.14 0.43 -0.51 4.01 4.08 2og7A1 ARG 180 H 0.01 -0.10 -0.29 -0.55 8.46 7.53 2og7A1 ARG 180 HA 0.02 0.24 0.72 -0.75 4.34 4.57 2og7A1 ARG 180 HB2 0.11 -0.18 0.05 -0.04 1.90 1.84 2og7A1 ARG 180 HB3 0.09 0.22 0.06 -0.04 1.80 2.13 2og7A1 ARG 180 HG2 0.04 0.05 -0.06 -0.04 1.67 1.65 2og7A1 ARG 180 HG3 0.04 0.06 -0.14 -0.04 1.67 1.59 2og7A1 ARG 180 HD2 0.03 0.00 -0.03 -0.04 3.22 3.18 2og7A1 ARG 180 HD3 0.06 -0.12 -0.02 -0.04 3.22 3.10 2og7A1 ALA 181 H -0.13 -0.13 -0.03 -0.55 8.40 7.57 2og7A1 ALA 181 HA -0.07 0.20 0.38 -0.75 4.34 4.09 2og7A1 ALA 181 HB3 -0.74 -0.02 -0.01 -0.04 1.41 0.60 2og7A1 GLY 182 H -0.02 0.19 0.20 -0.55 8.43 8.26 2og7A1 GLY 182 HA2 -0.01 0.09 0.58 -0.51 4.01 4.16 2og7A1 GLY 182 HA3 0.01 0.05 0.21 -0.51 4.01 3.77 2og7A1 LEU 183 H 0.06 0.38 0.31 -0.55 8.37 8.57 2og7A1 LEU 183 HA 0.08 0.18 0.83 -0.75 4.35 4.67 2og7A1 LEU 183 HB2 0.04 -0.04 0.13 -0.04 1.64 1.73 2og7A1 LEU 183 HB3 0.11 -0.02 0.20 -0.04 1.64 1.89 2og7A1 LEU 183 HG 0.17 0.03 -0.36 -0.04 1.64 1.44 2og7A1 LEU 183 HD13 0.05 0.05 0.04 -0.04 0.93 1.03 2og7A1 LEU 183 HD23 -0.11 -0.02 -0.08 -0.04 0.89 0.64 2og7A1 ARG 184 H 0.10 0.67 0.27 -0.55 8.46 8.95 2og7A1 ARG 184 HA 0.15 0.37 1.00 -0.75 4.34 5.10 2og7A1 ARG 184 HB2 0.04 -0.13 -0.12 -0.04 1.90 1.64 2og7A1 ARG 184 HB3 0.29 0.06 -0.18 -0.04 1.80 1.93 2og7A1 ARG 184 HG2 0.06 0.03 -0.29 -0.04 1.67 1.44 2og7A1 ARG 184 HG3 0.02 -0.02 -0.33 -0.04 1.67 1.31 2og7A1 ARG 184 HD2 0.02 -0.04 -0.17 -0.04 3.22 2.99 2og7A1 ARG 184 HD3 -0.04 -0.04 -0.21 -0.04 3.22 2.89 2og7A1 THR 185 H 0.19 0.66 0.29 -0.55 8.28 8.87 2og7A1 THR 185 HA 0.18 0.32 1.04 -0.75 4.39 5.17 2og7A1 THR 185 HB 0.11 0.09 0.01 -0.04 4.32 4.49 2og7A1 THR 185 HG23 0.14 -0.02 -0.23 -0.04 1.22 1.07 2og7A1 ALA 186 H -0.08 0.66 0.23 -0.55 8.40 8.66 2og7A1 ALA 186 HA -0.05 0.20 0.83 -0.75 4.34 4.57 2og7A1 ALA 186 HB3 -0.41 0.00 -0.07 -0.04 1.41 0.90 2og7A1 CYS 187 H -0.01 0.23 0.15 -0.55 8.50 8.33 2og7A1 CYS 187 HA -0.03 0.25 0.88 -0.75 4.58 4.93 2og7A1 CYS 187 HB2 -0.00 0.20 -0.22 -0.04 2.97 2.90 2og7A1 CYS 187 HB3 -0.00 0.08 0.22 -0.04 2.97 3.23 2og7A1 VAL 188 H 0.00 0.92 0.38 -0.55 8.24 8.99 2og7A1 VAL 188 HA 0.06 -0.04 0.34 -0.75 4.13 3.74 2og7A1 VAL 188 HB 0.01 0.03 0.05 -0.04 2.12 2.17 2og7A1 VAL 188 HG13 -0.03 0.06 -0.05 -0.04 0.97 0.91 2og7A1 VAL 188 HG23 -0.06 -0.02 -0.05 -0.04 0.95 0.79 2og7A1 ARG 189 H -0.00 0.13 -0.31 -0.55 8.46 7.72 2og7A1 ARG 189 HA -0.00 0.11 0.46 -0.75 4.34 4.15 2og7A1 ARG 189 HB2 -0.01 0.20 0.09 -0.04 1.90 2.14 2og7A1 ARG 189 HB3 -0.00 -0.04 0.05 -0.04 1.80 1.77 2og7A1 ARG 189 HG2 -0.00 0.02 0.02 -0.04 1.67 1.67 2og7A1 ARG 189 HG3 -0.01 -0.02 0.01 -0.04 1.67 1.60 2og7A1 ARG 189 HD2 -0.03 0.16 -0.06 -0.04 3.22 3.25 2og7A1 ARG 189 HD3 -0.01 -0.09 -0.12 -0.04 3.22 2.96 2og7A1 ARG 190 H 0.01 0.33 -0.17 -0.55 8.46 8.07 2og7A1 ARG 190 HA 0.01 0.08 0.68 -0.75 4.34 4.35 2og7A1 ARG 190 HB2 0.02 0.09 0.12 -0.04 1.90 2.09 2og7A1 ARG 190 HB3 0.02 -0.03 0.04 -0.04 1.80 1.79 2og7A1 ARG 190 HG2 0.00 0.13 0.11 -0.04 1.67 1.88 2og7A1 ARG 190 HG3 0.01 0.05 0.10 -0.04 1.67 1.78 2og7A1 ARG 190 HD2 0.01 -0.01 0.04 -0.04 3.22 3.22 2og7A1 ARG 190 HD3 0.01 -0.02 -0.03 -0.04 3.22 3.14 2og7A1 VAL 191 H 0.01 0.20 -0.19 -0.55 8.24 7.71 2og7A1 VAL 191 HA -0.01 0.07 0.33 -0.75 4.13 3.76 2og7A1 VAL 191 HB -0.02 0.03 0.07 -0.04 2.12 2.17 2og7A1 VAL 191 HG13 -0.23 -0.03 -0.20 -0.04 0.97 0.48 2og7A1 VAL 191 HG23 0.10 0.04 -0.25 -0.04 0.95 0.80 2og7A1 LEU 192 H -0.03 0.69 0.03 -0.55 8.37 8.51 2og7A1 LEU 192 HA -0.09 -0.08 0.17 -0.75 4.35 3.59 2og7A1 LEU 192 HB2 -0.03 0.06 0.12 -0.04 1.64 1.75 2og7A1 LEU 192 HB3 -0.01 0.10 0.10 -0.04 1.64 1.79 2og7A1 LEU 192 HG 0.03 -0.06 -0.15 -0.04 1.64 1.42 2og7A1 LEU 192 HD13 -0.00 -0.04 -0.01 -0.04 0.93 0.84 2og7A1 LEU 192 HD23 0.07 0.07 -0.03 -0.04 0.89 0.96 2og7A1 PRO 193 HA -0.01 0.03 0.41 -0.51 4.44 4.36 2og7A1 PRO 193 HB2 0.00 0.03 -0.07 -0.04 2.28 2.20 2og7A1 PRO 193 HB3 0.00 -0.06 0.09 -0.04 2.02 2.02 2og7A1 PRO 193 HG2 0.00 0.08 0.03 -0.04 2.03 2.11 2og7A1 PRO 193 HG3 0.01 -0.01 0.05 -0.04 2.03 2.04 2og7A1 PRO 193 HD2 -0.01 0.24 -0.67 -0.04 3.68 3.19 2og7A1 PRO 193 HD3 -0.01 0.12 -0.04 -0.04 3.65 3.68 2og7A1 LEU 194 H -0.07 0.54 -0.45 -0.55 8.37 7.85 2og7A1 LEU 194 HA -0.01 0.07 0.67 -0.75 4.35 4.32 2og7A1 LEU 194 HB2 -0.08 0.13 0.05 -0.04 1.64 1.71 2og7A1 LEU 194 HB3 0.11 -0.13 0.07 -0.04 1.64 1.65 2og7A1 LEU 194 HG 0.01 0.15 -0.02 -0.04 1.64 1.75 2og7A1 LEU 194 HD13 0.11 -0.03 -0.01 -0.04 0.93 0.95 2og7A1 LEU 194 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 2og7A1 LEU 195 H -0.17 0.38 -0.10 -0.55 8.37 7.94 2og7A1 LEU 195 HA -0.39 -0.01 0.39 -0.75 4.35 3.59 2og7A1 LEU 195 HB2 -0.13 0.14 0.04 -0.04 1.64 1.64 2og7A1 LEU 195 HB3 -0.16 -0.13 -0.04 -0.04 1.64 1.26 2og7A1 LEU 195 HG -0.30 0.22 -0.17 -0.04 1.64 1.35 2og7A1 LEU 195 HD13 -0.19 -0.01 -0.14 -0.04 0.93 0.54 2og7A1 LEU 195 HD23 -0.51 -0.03 -0.15 -0.04 0.89 0.17 2og7A1 SER 196 H -0.08 0.06 0.16 -0.55 8.46 8.05 2og7A1 SER 196 HA -0.02 0.18 0.50 -0.75 4.49 4.40 2og7A1 SER 196 HB2 0.00 -0.02 0.14 -0.04 3.95 4.03 2og7A1 SER 196 HB3 -0.00 0.14 0.15 -0.04 3.93 4.18 2og7A1 ASP 197 H 0.00 0.19 0.18 -0.55 8.40 8.22 2og7A1 ASP 197 HA 0.02 0.18 0.31 -0.75 4.63 4.39 2og7A1 ASP 197 HB2 0.01 -0.06 0.14 -0.04 2.71 2.76 2og7A1 ASP 197 HB3 0.02 0.03 -0.00 -0.04 2.70 2.70 2og7A1 SER 198 H 0.01 0.07 -0.17 -0.55 8.46 7.83 2og7A1 SER 198 HA 0.03 0.10 0.42 -0.75 4.49 4.28 2og7A1 SER 198 HB2 0.02 0.03 0.00 -0.04 3.95 3.95 2og7A1 SER 198 HB3 0.01 0.02 0.07 -0.04 3.93 3.99 2og7A1 THR 199 H 0.00 0.11 -0.32 -0.55 8.28 7.53 2og7A1 THR 199 HA 0.02 0.05 0.48 -0.75 4.39 4.18 2og7A1 THR 199 HB -0.05 0.09 0.10 -0.04 4.32 4.43 2og7A1 THR 199 HG23 -0.07 0.01 -0.12 -0.04 1.22 1.00 2og7A1 VAL 200 H 0.01 0.54 -0.14 -0.55 8.24 8.11 2og7A1 VAL 200 HA -0.01 0.05 0.35 -0.75 4.13 3.77 2og7A1 VAL 200 HB 0.09 0.02 0.08 -0.04 2.12 2.27 2og7A1 VAL 200 HG13 0.30 0.01 -0.13 -0.04 0.97 1.10 2og7A1 VAL 200 HG23 -0.00 0.05 -0.11 -0.04 0.95 0.85 2og7A1 ASP 201 H 0.10 0.54 -0.14 -0.55 8.40 8.36 2og7A1 ASP 201 HA 0.24 0.05 0.36 -0.75 4.63 4.52 2og7A1 ASP 201 HB2 0.07 0.04 0.12 -0.04 2.71 2.90 2og7A1 ASP 201 HB3 0.08 -0.05 -0.04 -0.04 2.70 2.66 2og7A1 ALA 202 H 0.09 0.43 -0.30 -0.55 8.40 8.07 2og7A1 ALA 202 HA 0.10 -0.05 0.37 -0.75 4.34 4.01 2og7A1 ALA 202 HB3 0.09 0.00 0.04 -0.04 1.41 1.51 2og7A1 LEU 203 H 0.06 0.58 -0.14 -0.55 8.37 8.33 2og7A1 LEU 203 HA -0.00 -0.00 0.39 -0.75 4.35 3.98 2og7A1 LEU 203 HB2 -0.25 0.15 0.11 -0.04 1.64 1.61 2og7A1 LEU 203 HB3 -0.40 -0.09 0.06 -0.04 1.64 1.17 2og7A1 LEU 203 HG -0.05 0.12 0.02 -0.04 1.64 1.69 2og7A1 LEU 203 HD13 -0.21 -0.01 -0.13 -0.04 0.93 0.54 2og7A1 LEU 203 HD23 -0.31 -0.02 -0.09 -0.04 0.89 0.43 2og7A1 TRP 204 H 0.22 0.35 -0.34 -0.55 7.97 7.66 2og7A1 TRP 204 HA 0.02 0.15 0.78 -0.75 4.62 4.82 2og7A1 TRP 204 HB2 0.02 0.09 0.08 -0.04 3.23 3.38 2og7A1 TRP 204 HB3 0.02 -0.06 0.08 -0.04 3.23 3.22 2og7A1 TRP 204 HD1 -0.00 0.10 -0.15 -0.04 7.22 7.12 2og7A1 TRP 204 HE1 -0.02 0.00 -0.07 -0.04 10.20 10.07 2og7A1 TRP 204 HE3 -0.00 0.03 -0.02 -0.04 7.59 7.56 2og7A1 TRP 204 HZ2 -0.02 0.11 -0.11 -0.04 7.44 7.38 2og7A1 TRP 204 HZ3 -0.01 -0.13 -0.35 -0.04 7.13 6.59 2og7A1 TRP 204 HH2 -0.02 0.13 -0.76 -0.04 7.19 6.50 2og7A1 ALA 205 H 0.26 0.40 -0.25 -0.55 8.40 8.26 2og7A1 ALA 205 HA 0.15 0.14 0.62 -0.75 4.34 4.51 2og7A1 ALA 205 HB3 0.09 0.00 0.05 -0.04 1.41 1.51 2og7A1 PRO 206 HA 0.14 0.05 -0.09 -0.51 4.44 4.03 2og7A1 PRO 206 HB2 0.04 0.08 0.02 -0.04 2.28 2.39 2og7A1 PRO 206 HB3 0.07 0.08 0.06 -0.04 2.02 2.18 2og7A1 PRO 206 HG2 0.03 -0.03 0.05 -0.04 2.03 2.04 2og7A1 PRO 206 HG3 0.04 0.03 0.07 -0.04 2.03 2.14 2og7A1 PRO 206 HD2 0.05 0.02 0.09 -0.04 3.68 3.80 2og7A1 PRO 206 HD3 0.09 0.20 0.20 -0.04 3.65 4.10 2og7A1 GLU 207 H 0.05 0.64 -0.00 -0.55 8.60 8.74 2og7A1 GLU 207 HA -0.14 0.18 0.75 -0.75 4.29 4.32 2og7A1 GLU 207 HB2 -0.48 0.14 -0.01 -0.04 2.09 1.70 2og7A1 GLU 207 HB3 -0.35 -0.28 0.18 -0.04 1.99 1.50 2og7A1 GLU 207 HG2 -0.10 0.04 -0.17 -0.04 2.34 2.07 2og7A1 GLU 207 HG3 -0.06 0.01 -0.62 -0.04 2.34 1.62 2og7A1 PHE 208 H 0.12 0.34 0.05 -0.55 8.34 8.30 2og7A1 PHE 208 HA -0.01 0.15 0.98 -0.75 4.62 4.98 2og7A1 PHE 208 HB2 -0.02 0.27 0.05 -0.04 3.15 3.41 2og7A1 PHE 208 HB3 -0.01 -0.03 -0.10 -0.04 3.06 2.88 2og7A1 PHE 208 HD2 -0.02 0.13 0.02 -0.04 7.28 7.38 2og7A1 PHE 208 HE2 -0.03 0.19 0.07 -0.04 7.38 7.57 2og7A1 PHE 208 HZ -0.04 -0.08 -0.25 -0.04 7.32 6.91 2og7A1 ARG 209 H 0.08 0.76 0.27 -0.55 8.46 9.02 2og7A1 ARG 209 HA 0.05 0.26 0.81 -0.75 4.34 4.71 2og7A1 ARG 209 HB2 0.01 0.02 -0.13 -0.04 1.90 1.76 2og7A1 ARG 209 HB3 0.01 -0.01 0.04 -0.04 1.80 1.80 2og7A1 ARG 209 HG2 -0.00 -0.09 -0.10 -0.04 1.67 1.43 2og7A1 ARG 209 HG3 0.01 0.02 -0.37 -0.04 1.67 1.29 2og7A1 ARG 209 HD2 -0.01 -0.12 -0.11 -0.04 3.22 2.95 2og7A1 ARG 209 HD3 -0.00 0.43 -0.20 -0.04 3.22 3.41 2og7A1 THR 210 H 0.03 0.30 0.09 -0.55 8.28 8.16 2og7A1 THR 210 HA 0.02 0.32 1.08 -0.75 4.39 5.05 2og7A1 THR 210 HB 0.04 0.06 -0.07 -0.04 4.32 4.32 2og7A1 THR 210 HG23 0.03 -0.02 -0.35 -0.04 1.22 0.84 2og7A1 ALA 211 H -0.04 0.52 0.23 -0.55 8.40 8.57 2og7A1 ALA 211 HA -0.14 0.18 0.70 -0.75 4.34 4.33 2og7A1 ALA 211 HB3 -0.11 -0.00 -0.03 -0.04 1.41 1.23 2og7A1 PRO 212 HA -1.05 0.01 0.51 -0.51 4.44 3.40 2og7A1 PRO 212 HB2 -0.42 0.04 -0.03 -0.04 2.28 1.82 2og7A1 PRO 212 HB3 -1.43 -0.01 0.08 -0.04 2.02 0.61 2og7A1 PRO 212 HG2 -0.42 -0.04 0.01 -0.04 2.03 1.54 2og7A1 PRO 212 HG3 -1.23 0.06 0.02 -0.04 2.03 0.84 2og7A1 PRO 212 HD2 -0.29 0.01 -0.08 -0.04 3.68 3.27 2og7A1 PRO 212 HD3 -0.38 0.44 0.09 -0.04 3.65 3.75 2og7A1 PRO 213 HA -0.08 0.18 0.60 -0.51 4.44 4.64 2og7A1 PRO 213 HB2 0.04 -0.08 0.12 -0.04 2.28 2.32 2og7A1 PRO 213 HB3 -0.07 0.06 0.18 -0.04 2.02 2.15 2og7A1 PRO 213 HG2 0.25 -0.02 0.07 -0.04 2.03 2.29 2og7A1 PRO 213 HG3 0.03 -0.03 0.15 -0.04 2.03 2.14 2og7A1 PRO 213 HD2 -0.63 0.09 0.22 -0.04 3.68 3.32 2og7A1 PRO 213 HD3 -0.10 0.08 0.21 -0.04 3.65 3.80 2og7A1 PRO 214 HA 0.04 0.41 0.30 -0.51 4.44 4.68 2og7A1 PRO 214 HB2 0.18 -0.02 -0.12 -0.04 2.28 2.27 2og7A1 PRO 214 HB3 -0.07 -0.01 0.06 -0.04 2.02 1.96 2og7A1 PRO 214 HG2 0.02 0.13 0.03 -0.04 2.03 2.17 2og7A1 PRO 214 HG3 -0.10 0.01 0.12 -0.04 2.03 2.02 2og7A1 PRO 214 HD2 -0.03 0.16 0.30 -0.04 3.68 4.07 2og7A1 PRO 214 HD3 -0.06 0.16 0.23 -0.04 3.65 3.95 2og7A1 SER 215 H 0.15 0.07 -0.33 -0.55 8.46 7.80 2og7A1 SER 215 HA 0.13 0.01 0.35 -0.75 4.49 4.23 2og7A1 SER 215 HB2 0.11 -0.02 0.08 -0.04 3.95 4.09 2og7A1 SER 215 HB3 0.15 -0.11 0.09 -0.04 3.93 4.03 2og7A1 PHE 216 H 0.33 0.43 -0.49 -0.55 8.34 8.06 2og7A1 PHE 216 HA 0.06 0.25 0.67 -0.75 4.62 4.85 2og7A1 PHE 216 HB2 -0.09 0.22 0.10 -0.04 3.15 3.34 2og7A1 PHE 216 HB3 -0.04 -0.07 -0.06 -0.04 3.06 2.85 2og7A1 PHE 216 HD2 0.11 -0.04 -0.10 -0.04 7.28 7.20 2og7A1 PHE 216 HE2 0.17 -0.01 -0.06 -0.04 7.38 7.43 2og7A1 PHE 216 HZ -0.62 0.03 -0.06 -0.04 7.32 6.64 2og7A1 GLN 217 H 0.11 0.06 0.02 -0.55 8.47 8.11 2og7A1 GLN 217 HA 0.08 0.18 -0.39 -0.75 4.36 3.47 2og7A1 GLN 217 HB2 0.03 -0.10 0.16 -0.04 2.15 2.20 2og7A1 GLN 217 HB3 0.05 0.10 0.34 -0.04 2.02 2.47 2og7A1 GLN 217 HG2 0.00 -0.11 -0.15 -0.04 2.40 2.11 2og7A1 GLN 217 HG3 -0.00 0.25 -0.39 -0.04 2.39 2.20 2og7A1 GLN 217 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 2og7A1 GLN 217 HE22 0.01 0.09 -0.05 -0.04 7.69 7.69 2og7A1 LEU 218 H 0.04 0.13 0.07 -0.55 8.37 8.05 2og7A1 LEU 218 HA -0.02 0.07 0.76 -0.75 4.35 4.40 2og7A1 LEU 218 HB2 0.02 -0.01 0.13 -0.04 1.64 1.74 2og7A1 LEU 218 HB3 -0.02 0.03 -0.06 -0.04 1.64 1.56 2og7A1 LEU 218 HG -0.09 -0.01 0.04 -0.04 1.64 1.54 2og7A1 LEU 218 HD13 0.08 0.01 -0.08 -0.04 0.93 0.90 2og7A1 LEU 218 HD23 0.04 -0.00 -0.01 -0.04 0.89 0.88 2og7A1 SER 219 H -0.06 0.14 0.13 -0.55 8.46 8.12 2og7A1 SER 219 HA -0.06 0.06 0.33 -0.75 4.49 4.07 2og7A1 SER 219 HB2 -0.03 0.09 -0.13 -0.04 3.95 3.84 2og7A1 SER 219 HB3 -0.03 0.02 0.14 -0.04 3.93 4.01 2og7A1 GLY 220 H -0.08 0.07 -0.32 -0.55 8.43 7.56 2og7A1 GLY 220 HA2 -0.05 0.08 0.39 -0.51 4.01 3.92 2og7A1 GLY 220 HA3 -0.11 -0.01 0.18 -0.51 4.01 3.57 2og7A1 PRO 221 HA -0.04 0.04 0.43 -0.51 4.44 4.36 2og7A1 PRO 221 HB2 -0.02 0.09 -0.07 -0.04 2.28 2.23 2og7A1 PRO 221 HB3 -0.02 -0.00 0.07 -0.04 2.02 2.03 2og7A1 PRO 221 HG2 -0.03 0.02 0.06 -0.04 2.03 2.03 2og7A1 PRO 221 HG3 -0.01 0.01 0.07 -0.04 2.03 2.05 2og7A1 PRO 221 HD2 -0.09 0.06 0.15 -0.04 3.68 3.76 2og7A1 PRO 221 HD3 -0.04 0.12 0.18 -0.04 3.65 3.87 2og7A1 GLU 222 H -0.04 0.07 0.13 -0.55 8.60 8.22 2og7A1 GLU 222 HA -0.05 0.09 0.43 -0.75 4.29 4.00 2og7A1 GLU 222 HB2 -0.02 -0.06 0.02 -0.04 2.09 1.99 2og7A1 GLU 222 HB3 -0.01 0.07 -0.19 -0.04 1.99 1.81 2og7A1 GLU 222 HG2 -0.04 0.02 -0.12 -0.04 2.34 2.16 2og7A1 GLU 222 HG3 -0.04 0.02 -0.00 -0.04 2.34 2.27 2og7A1 GLU 223 H 0.01 0.56 0.21 -0.55 8.60 8.83 2og7A1 GLU 223 HA 0.01 -0.00 0.54 -0.75 4.29 4.09 2og7A1 GLU 223 HB2 0.04 0.02 0.17 -0.04 2.09 2.28 2og7A1 GLU 223 HB3 0.02 -0.03 0.16 -0.04 1.99 2.09 2og7A1 GLU 223 HG2 0.14 0.03 0.13 -0.04 2.34 2.59 2og7A1 GLU 223 HG3 0.10 0.24 0.12 -0.04 2.34 2.76 2og7A1 ALA 224 H 0.01 0.03 0.14 -0.55 8.40 8.03 2og7A1 ALA 224 HA 0.00 0.05 0.38 -0.75 4.34 4.02 2og7A1 ALA 224 HB3 0.00 -0.01 0.10 -0.04 1.41 1.47 2og7A1 PRO 225 HA 0.04 0.20 0.24 -0.51 4.44 4.41 2og7A1 PRO 225 HB2 0.01 0.09 0.01 -0.04 2.28 2.35 2og7A1 PRO 225 HB3 -0.01 -0.06 -0.06 -0.04 2.02 1.85 2og7A1 PRO 225 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.04 2og7A1 PRO 225 HG3 -0.01 0.01 0.03 -0.04 2.03 2.02 2og7A1 PRO 225 HD2 0.00 0.05 0.18 -0.04 3.68 3.88 2og7A1 PRO 225 HD3 0.00 0.08 0.20 -0.04 3.65 3.89 2og7A1 ALA 226 H 0.10 0.58 0.32 -0.55 8.40 8.85 2og7A1 ALA 226 HA 0.07 0.04 0.63 -0.75 4.34 4.32 2og7A1 ALA 226 HB3 0.04 0.04 -0.05 -0.04 1.41 1.39 2og7A1 PRO 227 HA 0.25 0.18 0.50 -0.51 4.44 4.87 2og7A1 PRO 227 HB2 0.02 0.23 -0.10 -0.04 2.28 2.39 2og7A1 PRO 227 HB3 0.14 -0.00 -0.29 -0.04 2.02 1.83 2og7A1 PRO 227 HG2 0.13 0.02 0.03 -0.04 2.03 2.17 2og7A1 PRO 227 HG3 0.14 -0.01 -0.14 -0.04 2.03 1.98 2og7A1 PRO 227 HD2 0.05 0.12 0.12 -0.04 3.68 3.94 2og7A1 PRO 227 HD3 0.08 0.05 0.18 -0.04 3.65 3.92 2og7A1 VAL 228 H -0.35 0.30 0.29 -0.55 8.24 7.93 2og7A1 VAL 228 HA -0.29 0.30 0.76 -0.75 4.13 4.15 2og7A1 VAL 228 HB -0.66 -0.01 0.20 -0.04 2.12 1.62 2og7A1 VAL 228 HG13 -0.31 -0.03 -0.23 -0.04 0.97 0.36 2og7A1 VAL 228 HG23 -1.06 0.01 -0.00 -0.04 0.95 -0.14 2og7A1 LEU 229 H -0.52 0.45 0.14 -0.55 8.37 7.89 2og7A1 LEU 229 HA -0.49 0.24 0.79 -0.75 4.35 4.14 2og7A1 LEU 229 HB2 -2.06 -0.04 -0.11 -0.04 1.64 -0.61 2og7A1 LEU 229 HB3 -1.86 0.06 -0.08 -0.04 1.64 -0.28 2og7A1 LEU 229 HG -0.63 -0.12 -0.11 -0.04 1.64 0.74 2og7A1 LEU 229 HD13 -0.71 0.00 -0.08 -0.04 0.93 0.10 2og7A1 LEU 229 HD23 -0.35 0.02 -0.11 -0.04 0.89 0.41 2og7A1 LEU 230 H -0.27 0.67 0.23 -0.55 8.37 8.45 2og7A1 LEU 230 HA 0.16 0.12 0.79 -0.75 4.35 4.67 2og7A1 LEU 230 HB2 -0.04 -0.05 -0.13 -0.04 1.64 1.38 2og7A1 LEU 230 HB3 0.03 -0.07 -0.07 -0.04 1.64 1.49 2og7A1 LEU 230 HG -0.11 0.06 -0.69 -0.04 1.64 0.87 2og7A1 LEU 230 HD13 -0.06 0.00 -0.24 -0.04 0.93 0.60 2og7A1 LEU 230 HD23 0.01 0.02 -0.15 -0.04 0.89 0.73 2og7A1 GLY 231 H 0.24 0.14 0.11 -0.55 8.43 8.38 2og7A1 GLY 231 HA2 0.10 -0.00 0.30 -0.51 4.01 3.90 2og7A1 GLY 231 HA3 0.11 0.05 0.48 -0.51 4.01 4.14 2og7A1 ASP 232 H 0.11 0.19 0.13 -0.55 8.40 8.28 2og7A1 ASP 232 HA 0.04 0.02 0.36 -0.75 4.63 4.29 2og7A1 ASP 232 HB2 0.04 0.06 0.09 -0.04 2.71 2.86 2og7A1 ASP 232 HB3 0.07 0.15 -0.12 -0.04 2.70 2.75 2og7A1 ARG 233 H -0.03 0.08 0.14 -0.55 8.46 8.10 2og7A1 ARG 233 HA 0.18 0.18 0.36 -0.75 4.34 4.31 2og7A1 ARG 233 HB2 -0.09 -0.08 0.11 -0.04 1.90 1.80 2og7A1 ARG 233 HB3 -0.08 0.03 -0.02 -0.04 1.80 1.69 2og7A1 ARG 233 HG2 -0.51 0.06 0.01 -0.04 1.67 1.19 2og7A1 ARG 233 HG3 -0.31 -0.04 0.02 -0.04 1.67 1.30 2og7A1 ARG 233 HD2 -0.40 -0.04 -0.02 -0.04 3.22 2.72 2og7A1 ARG 233 HD3 -0.75 0.07 -0.01 -0.04 3.22 2.49 2og7A1 SER 234 H 0.05 -0.06 -0.19 -0.55 8.46 7.72 2og7A1 SER 234 HA 0.07 0.20 0.67 -0.75 4.49 4.67 2og7A1 SER 234 HB2 0.03 -0.05 0.03 -0.04 3.95 3.91 2og7A1 SER 234 HB3 0.03 0.05 -0.01 -0.04 3.93 3.96 2og7A1 ASP 235 H 0.07 -0.09 -0.29 -0.55 8.40 7.54 2og7A1 ASP 235 HA 0.03 0.22 0.71 -0.75 4.63 4.84 2og7A1 ASP 235 HB2 0.03 -0.02 -0.12 -0.04 2.71 2.55 2og7A1 ASP 235 HB3 0.03 -0.11 0.11 -0.04 2.70 2.70 2og7A1 PRO 236 HA 0.11 -0.07 0.54 -0.51 4.44 4.51 2og7A1 PRO 236 HB2 -0.14 0.16 0.07 -0.04 2.28 2.32 2og7A1 PRO 236 HB3 0.27 0.08 -0.08 -0.04 2.02 2.26 2og7A1 PRO 236 HG2 -0.05 -0.05 -0.10 -0.04 2.03 1.79 2og7A1 PRO 236 HG3 0.04 -0.01 -0.09 -0.04 2.03 1.93 2og7A1 PRO 236 HD2 0.05 0.10 -0.16 -0.04 3.68 3.62 2og7A1 PRO 236 HD3 0.15 0.08 -0.66 -0.04 3.65 3.18 2og7A1 ASP 237 H 0.01 0.27 0.30 -0.55 8.40 8.43 2og7A1 ASP 237 HA -0.05 0.17 0.78 -0.75 4.63 4.77 2og7A1 ASP 237 HB2 -0.04 -0.11 0.05 -0.04 2.71 2.57 2og7A1 ASP 237 HB3 -0.06 0.18 0.23 -0.04 2.70 3.01 2og7A1 LEU 238 H -0.08 0.69 0.33 -0.55 8.37 8.76 2og7A1 LEU 238 HA -0.17 0.31 0.70 -0.75 4.35 4.44 2og7A1 LEU 238 HB2 -0.15 -0.03 -0.04 -0.04 1.64 1.38 2og7A1 LEU 238 HB3 -0.12 -0.02 -0.26 -0.04 1.64 1.19 2og7A1 LEU 238 HG -0.05 -0.04 -0.41 -0.04 1.64 1.10 2og7A1 LEU 238 HD13 0.09 -0.04 -0.20 -0.04 0.93 0.75 2og7A1 LEU 238 HD23 -0.05 0.05 -0.28 -0.04 0.89 0.57 2og7A1 ARG 239 H -0.15 0.50 0.12 -0.55 8.46 8.39 2og7A1 ARG 239 HA -0.07 0.08 0.74 -0.75 4.34 4.34 2og7A1 ARG 239 HB2 -0.08 0.03 -0.16 -0.04 1.90 1.65 2og7A1 ARG 239 HB3 -0.09 0.10 0.10 -0.04 1.80 1.87 2og7A1 ARG 239 HG2 -0.05 -0.14 -0.26 -0.04 1.67 1.19 2og7A1 ARG 239 HG3 -0.06 0.01 -0.02 -0.04 1.67 1.56 2og7A1 ARG 239 HD2 -0.07 0.27 -0.07 -0.04 3.22 3.31 2og7A1 ARG 239 HD3 -0.06 -0.06 -0.09 -0.04 3.22 2.97 2og7A1 VAL 240 H -0.04 0.25 0.11 -0.55 8.24 8.01 2og7A1 VAL 240 HA -0.04 0.15 0.58 -0.75 4.13 4.07 2og7A1 VAL 240 HB -0.10 0.11 -0.38 -0.04 2.12 1.71 2og7A1 VAL 240 HG13 0.12 -0.01 -0.26 -0.04 0.97 0.78 2og7A1 VAL 240 HG23 -0.02 -0.01 -0.12 -0.04 0.95 0.76 2og7A1 ASP 241 H 0.03 0.30 0.05 -0.55 8.40 8.24 2og7A1 ASP 241 HA 0.10 0.18 0.84 -0.75 4.63 4.99 2og7A1 ASP 241 HB2 0.03 0.12 -0.01 -0.04 2.71 2.81 2og7A1 ASP 241 HB3 0.02 -0.03 0.11 -0.04 2.70 2.76 2og7A1 LEU 242 H 0.13 0.75 0.22 -0.55 8.37 8.92 2og7A1 LEU 242 HA 0.09 0.11 0.34 -0.75 4.35 4.14 2og7A1 LEU 242 HB2 0.16 0.06 0.14 -0.04 1.64 1.95 2og7A1 LEU 242 HB3 0.11 0.00 0.08 -0.04 1.64 1.80 2og7A1 LEU 242 HG 0.24 -0.02 -0.04 -0.04 1.64 1.78 2og7A1 LEU 242 HD13 0.35 -0.02 0.02 -0.04 0.93 1.24 2og7A1 LEU 242 HD23 0.10 0.02 0.02 -0.04 0.89 0.99 2og7A1 ALA 243 H 0.03 0.01 -0.30 -0.55 8.40 7.60 2og7A1 ALA 243 HA 0.00 0.20 0.84 -0.75 4.34 4.62 2og7A1 ALA 243 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.40 2og7A1 ALA 244 H -0.00 0.01 -0.09 -0.55 8.40 7.77 2og7A1 ALA 244 HA -0.03 0.19 0.60 -0.75 4.34 4.34 2og7A1 ALA 244 HB3 -0.05 -0.00 -0.00 -0.04 1.41 1.31 2og7A1 THR 245 H 0.03 0.45 0.02 -0.55 8.28 8.23 2og7A1 THR 245 HA 0.04 0.25 0.87 -0.75 4.39 4.79 2og7A1 THR 245 HB 0.06 0.03 0.08 -0.04 4.32 4.44 2og7A1 THR 245 HG23 0.12 0.00 -0.31 -0.04 1.22 1.00 2og7A1 GLU 246 H 0.04 0.88 0.37 -0.55 8.60 9.35 2og7A1 GLU 246 HA 0.03 0.16 0.79 -0.75 4.29 4.52 2og7A1 GLU 246 HB2 0.01 -0.02 0.14 -0.04 2.09 2.18 2og7A1 GLU 246 HB3 0.00 0.04 -0.01 -0.04 1.99 1.97 2og7A1 GLU 246 HG2 0.00 0.06 -0.14 -0.04 2.34 2.22 2og7A1 GLU 246 HG3 -0.01 -0.05 -0.03 -0.04 2.34 2.21 2og7A1 PRO 247 HA -0.13 0.19 0.80 -0.51 4.44 4.79 2og7A1 PRO 247 HB2 -0.09 0.02 -0.03 -0.04 2.28 2.15 2og7A1 PRO 247 HB3 0.01 0.05 -0.22 -0.04 2.02 1.81 2og7A1 PRO 247 HG2 -0.01 0.02 0.09 -0.04 2.03 2.09 2og7A1 PRO 247 HG3 0.02 -0.01 0.08 -0.04 2.03 2.08 2og7A1 PRO 247 HD2 0.02 0.08 0.25 -0.04 3.68 3.99 2og7A1 PRO 247 HD3 0.06 0.24 0.18 -0.04 3.65 4.09 2og7A1 VAL 248 H -0.25 0.75 0.35 -0.55 8.24 8.54 2og7A1 VAL 248 HA -0.07 0.15 0.63 -0.75 4.13 4.09 2og7A1 VAL 248 HB -0.14 -0.04 0.08 -0.04 2.12 1.98 2og7A1 VAL 248 HG13 -0.06 -0.01 -0.02 -0.04 0.97 0.84 2og7A1 VAL 248 HG23 -0.06 0.03 -0.18 -0.04 0.95 0.70 2og7A1 THR 249 H -0.19 0.09 0.12 -0.55 8.28 7.75 2og7A1 THR 249 HA -0.07 0.30 0.92 -0.75 4.39 4.79 2og7A1 THR 249 HB -0.07 -0.11 0.18 -0.04 4.32 4.28 2og7A1 THR 249 HG23 -0.09 0.05 -0.11 -0.04 1.22 1.04 2og7A1 GLU 250 H -0.04 0.21 0.17 -0.55 8.60 8.38 2og7A1 GLU 250 HA -0.03 0.17 0.55 -0.75 4.29 4.22 2og7A1 GLU 250 HB2 -0.02 0.09 0.12 -0.04 2.09 2.23 2og7A1 GLU 250 HB3 -0.02 -0.02 0.17 -0.04 1.99 2.08 2og7A1 GLU 250 HG2 -0.01 -0.02 -0.26 -0.04 2.34 2.01 2og7A1 GLU 250 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 2og7A1 ARG 251 H -0.04 0.12 -0.01 -0.55 8.46 7.98 2og7A1 ARG 251 HA -0.01 0.09 0.42 -0.75 4.34 4.10 2og7A1 ARG 251 HB2 0.00 0.07 0.05 -0.04 1.90 1.98 2og7A1 ARG 251 HB3 -0.01 0.01 0.08 -0.04 1.80 1.84 2og7A1 ARG 251 HG2 -0.04 -0.04 0.04 -0.04 1.67 1.58 2og7A1 ARG 251 HG3 -0.05 0.04 -0.12 -0.04 1.67 1.49 2og7A1 ARG 251 HD2 0.02 0.04 -0.05 -0.04 3.22 3.18 2og7A1 ARG 251 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 2og7A1 ALA 252 H -0.11 0.02 -0.36 -0.55 8.40 7.40 2og7A1 ALA 252 HA -0.01 0.12 0.48 -0.75 4.34 4.17 2og7A1 ALA 252 HB3 -0.60 0.05 0.10 -0.04 1.41 0.91 2og7A1 ALA 253 H -0.04 0.30 -0.21 -0.55 8.40 7.90 2og7A1 ALA 253 HA 0.04 0.10 0.51 -0.75 4.34 4.23 2og7A1 ALA 253 HB3 -0.00 0.06 0.13 -0.04 1.41 1.56 2og7A1 GLU 254 H 0.01 0.44 -0.07 -0.55 8.60 8.43 2og7A1 GLU 254 HA 0.02 0.04 0.46 -0.75 4.29 4.05 2og7A1 GLU 254 HB2 0.01 0.02 0.10 -0.04 2.09 2.18 2og7A1 GLU 254 HB3 0.01 0.07 0.09 -0.04 1.99 2.13 2og7A1 GLU 254 HG2 0.01 -0.02 -0.20 -0.04 2.34 2.10 2og7A1 GLU 254 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35 2og7A1 ALA 255 H 0.05 0.45 -0.30 -0.55 8.40 8.06 2og7A1 ALA 255 HA 0.02 -0.07 0.43 -0.75 4.34 3.96 2og7A1 ALA 255 HB3 0.13 0.07 0.12 -0.04 1.41 1.69 2og7A1 LEU 256 H 0.11 0.58 -0.15 -0.55 8.37 8.37 2og7A1 LEU 256 HA -0.01 0.00 0.39 -0.75 4.35 3.98 2og7A1 LEU 256 HB2 0.08 0.12 0.19 -0.04 1.64 2.00 2og7A1 LEU 256 HB3 0.06 -0.03 0.02 -0.04 1.64 1.66 2og7A1 LEU 256 HG 0.34 0.15 0.05 -0.04 1.64 2.14 2og7A1 LEU 256 HD13 0.17 -0.00 -0.08 -0.04 0.93 0.98 2og7A1 LEU 256 HD23 0.00 -0.02 -0.07 -0.04 0.89 0.76 2og7A1 ARG 257 H 0.03 0.51 -0.14 -0.55 8.46 8.30 2og7A1 ARG 257 HA 0.02 0.02 0.45 -0.75 4.34 4.08 2og7A1 ARG 257 HB2 0.02 0.10 0.19 -0.04 1.90 2.17 2og7A1 ARG 257 HB3 0.02 -0.05 0.01 -0.04 1.80 1.73 2og7A1 ARG 257 HG2 0.02 -0.02 0.05 -0.04 1.67 1.68 2og7A1 ARG 257 HG3 0.02 0.18 0.06 -0.04 1.67 1.89 2og7A1 ARG 257 HD2 0.01 -0.02 0.00 -0.04 3.22 3.17 2og7A1 ARG 257 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.18 2og7A1 GLU 258 H 0.01 0.56 -0.14 -0.55 8.60 8.48 2og7A1 GLU 258 HA 0.05 0.02 0.45 -0.75 4.29 4.06 2og7A1 GLU 258 HB2 0.03 -0.00 0.11 -0.04 2.09 2.18 2og7A1 GLU 258 HB3 -0.02 0.08 0.11 -0.04 1.99 2.12 2og7A1 GLU 258 HG2 0.07 0.04 -0.11 -0.04 2.34 2.30 2og7A1 GLU 258 HG3 0.19 0.00 0.06 -0.04 2.34 2.55 2og7A1 LEU 259 H -0.09 0.62 -0.13 -0.55 8.37 8.23 2og7A1 LEU 259 HA -0.34 0.02 0.40 -0.75 4.35 3.68 2og7A1 LEU 259 HB2 -0.24 0.10 0.07 -0.04 1.64 1.53 2og7A1 LEU 259 HB3 -0.24 0.07 0.13 -0.04 1.64 1.56 2og7A1 LEU 259 HG -1.38 -0.05 -0.22 -0.04 1.64 -0.04 2og7A1 LEU 259 HD13 -0.50 -0.01 -0.08 -0.04 0.93 0.30 2og7A1 LEU 259 HD23 -0.18 -0.00 -0.13 -0.04 0.89 0.55 2og7A1 GLN 260 H -0.09 0.73 -0.07 -0.55 8.47 8.49 2og7A1 GLN 260 HA 0.10 -0.04 0.37 -0.75 4.36 4.03 2og7A1 GLN 260 HB2 0.10 0.01 0.12 -0.04 2.15 2.34 2og7A1 GLN 260 HB3 0.04 0.16 0.19 -0.04 2.02 2.37 2og7A1 GLN 260 HG2 0.11 -0.00 -0.01 -0.04 2.40 2.45 2og7A1 GLN 260 HG3 0.10 0.02 -0.23 -0.04 2.39 2.24 2og7A1 GLN 260 HE21 0.34 -0.03 -0.04 -0.04 6.97 7.20 2og7A1 GLN 260 HE22 0.17 0.03 -0.07 -0.04 7.69 7.77 2og7A1 ALA 261 H -0.01 0.49 -0.20 -0.55 8.40 8.13 2og7A1 ALA 261 HA -0.01 -0.01 0.40 -0.75 4.34 3.96 2og7A1 ALA 261 HB3 -0.09 0.03 0.09 -0.04 1.41 1.40 2og7A1 HIS 262 H 0.00 0.46 -0.30 -0.55 8.41 8.03 2og7A1 HIS 262 HA -0.05 0.04 0.50 -0.75 4.63 4.37 2og7A1 HIS 262 HB2 -0.23 0.10 0.10 -0.04 3.26 3.19 2og7A1 HIS 262 HB3 -0.11 -0.02 -0.02 -0.04 3.20 3.00 2og7A1 HIS 262 HD2 -0.04 0.02 -0.05 -0.04 6.97 6.86 2og7A1 HIS 262 HE1 -0.04 -0.12 -0.01 -0.04 7.75 7.53 2og7A1 PHE 263 H -0.18 0.61 -0.06 -0.55 8.34 8.15 2og7A1 PHE 263 HA -0.29 0.02 0.41 -0.75 4.62 4.00 2og7A1 PHE 263 HB2 -0.31 0.11 0.11 -0.04 3.15 3.03 2og7A1 PHE 263 HB3 -1.45 -0.06 -0.13 -0.04 3.06 1.38 2og7A1 PHE 263 HD2 -0.15 -0.03 -0.16 -0.04 7.28 6.90 2og7A1 PHE 263 HE2 -0.09 -0.02 -0.22 -0.04 7.38 7.01 2og7A1 PHE 263 HZ -0.12 0.01 -0.20 -0.04 7.32 6.97 2og7A1 ASP 264 H 0.08 0.58 -0.14 -0.55 8.40 8.37 2og7A1 ASP 264 HA 0.25 -0.01 0.32 -0.75 4.63 4.43 2og7A1 ASP 264 HB2 0.21 -0.02 0.07 -0.04 2.71 2.93 2og7A1 ASP 264 HB3 0.06 0.15 0.10 -0.04 2.70 2.97 2og7A1 ALA 265 H -0.02 0.37 -0.25 -0.55 8.40 7.96 2og7A1 ALA 265 HA 0.00 0.01 0.40 -0.75 4.34 4.00 2og7A1 ALA 265 HB3 -0.07 -0.01 0.09 -0.04 1.41 1.38 2og7A1 THR 266 H 0.01 0.35 -0.35 -0.55 8.28 7.75 2og7A1 THR 266 HA 0.02 0.13 0.72 -0.75 4.39 4.50 2og7A1 THR 266 HB 0.03 -0.11 0.09 -0.04 4.32 4.29 2og7A1 THR 266 HG23 0.05 -0.00 -0.17 -0.04 1.22 1.05 2og7A1 ALA 267 H 0.02 0.27 -0.24 -0.55 8.40 7.90 2og7A1 ALA 267 HA 0.01 0.13 0.49 -0.75 4.34 4.21 2og7A1 ALA 267 HB3 0.12 -0.02 -0.13 -0.04 1.41 1.33 2og7A1 VAL 268 H 0.03 0.68 0.42 -0.55 8.24 8.83 2og7A1 VAL 268 HA -0.07 0.12 0.85 -0.75 4.13 4.28 2og7A1 VAL 268 HB -0.03 -0.03 0.15 -0.04 2.12 2.16 2og7A1 VAL 268 HG13 -0.32 -0.01 -0.13 -0.04 0.97 0.46 2og7A1 VAL 268 HG23 0.01 0.02 0.02 -0.04 0.95 0.96 2og7A1 THR 269 H -0.13 0.18 0.12 -0.55 8.28 7.90 2og7A1 THR 269 HA -0.05 0.29 0.94 -0.75 4.39 4.82 2og7A1 THR 269 HB -0.04 -0.03 0.05 -0.04 4.32 4.26 2og7A1 THR 269 HG23 0.00 -0.01 -0.26 -0.04 1.22 0.91 2og7A1 HIS 270 H 0.08 0.92 0.28 -0.55 8.41 9.15 2og7A1 HIS 270 HA 0.01 0.16 0.87 -0.75 4.63 4.92 2og7A1 HIS 270 HB2 0.00 -0.10 0.05 -0.04 3.26 3.18 2og7A1 HIS 270 HB3 0.00 -0.02 -0.10 -0.04 3.20 3.04 2og7A1 HIS 270 HD2 0.03 0.06 -0.23 -0.04 6.97 6.79 2og7A1 HIS 270 HE1 0.02 0.02 -0.16 -0.04 7.75 7.59 2og7A1 ARG 271 H 0.04 0.22 0.05 -0.55 8.46 8.23 2og7A1 ARG 271 HA 0.01 0.13 1.00 -0.75 4.34 4.73 2og7A1 ARG 271 HB2 -0.00 0.08 0.06 -0.04 1.90 2.00 2og7A1 ARG 271 HB3 0.01 -0.04 0.15 -0.04 1.80 1.88 2og7A1 ARG 271 HG2 -0.01 -0.00 -0.27 -0.04 1.67 1.34 2og7A1 ARG 271 HG3 -0.03 0.01 0.04 -0.04 1.67 1.66 2og7A1 ARG 271 HD2 -0.02 0.09 -0.03 -0.04 3.22 3.21 2og7A1 ARG 271 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2og7A1 LEU 272 H 0.00 0.12 0.01 -0.55 8.37 7.96 2og7A1 LEU 272 HA 0.01 0.07 0.41 -0.75 4.35 4.09 2og7A1 LEU 272 HB2 -0.02 -0.04 0.01 -0.04 1.64 1.55 2og7A1 LEU 272 HB3 -0.02 0.07 -0.04 -0.04 1.64 1.61 2og7A1 LEU 272 HG 0.01 -0.01 -0.11 -0.04 1.64 1.49 2og7A1 LEU 272 HD13 -0.04 0.02 -0.08 -0.04 0.93 0.79 2og7A1 LEU 272 HD23 -0.04 0.01 -0.16 -0.04 0.89 0.66 2og7A1 LEU 273 H -0.01 0.13 0.16 -0.55 8.37 8.10 2og7A1 LEU 273 HA -0.01 0.16 0.80 -0.75 4.35 4.54 2og7A1 LEU 273 HB2 -0.01 -0.02 0.01 -0.04 1.64 1.58 2og7A1 LEU 273 HB3 -0.01 0.04 0.09 -0.04 1.64 1.73 2og7A1 LEU 273 HG -0.00 0.04 -0.12 -0.04 1.64 1.52 2og7A1 LEU 273 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 2og7A1 LEU 273 HD23 -0.00 0.03 -0.11 -0.04 0.89 0.77 2og7A1 PRO 274 HA -0.06 0.25 0.21 -0.51 4.44 4.33 2og7A1 PRO 274 HB2 -0.03 -0.04 0.07 -0.04 2.28 2.24 2og7A1 PRO 274 HB3 -0.05 0.17 0.06 -0.04 2.02 2.15 2og7A1 PRO 274 HG2 -0.01 0.04 0.08 -0.04 2.03 2.10 2og7A1 PRO 274 HG3 -0.02 0.04 -0.14 -0.04 2.03 1.87 2og7A1 PRO 274 HD2 -0.01 0.11 0.16 -0.04 3.68 3.89 2og7A1 PRO 274 HD3 -0.01 0.06 0.15 -0.04 3.65 3.80 2og7A1 GLY 275 H -0.07 0.57 0.29 -0.55 8.43 8.67 2og7A1 GLY 275 HA2 -0.06 0.05 0.23 -0.51 4.01 3.72 2og7A1 GLY 275 HA3 -0.04 0.10 0.60 -0.51 4.01 4.16 2og7A1 GLU 276 H -0.04 0.49 -0.05 -0.55 8.60 8.46 2og7A1 GLU 276 HA -0.03 0.27 1.12 -0.75 4.29 4.90 2og7A1 GLU 276 HB2 -0.03 -0.01 0.18 -0.04 2.09 2.19 2og7A1 GLU 276 HB3 -0.03 0.02 0.04 -0.04 1.99 1.99 2og7A1 GLU 276 HG2 -0.02 -0.08 0.01 -0.04 2.34 2.21 2og7A1 GLU 276 HG3 -0.02 0.15 -0.15 -0.04 2.34 2.27 2og7A1 LEU 277 H -0.03 0.71 0.36 -0.55 8.37 8.86 2og7A1 LEU 277 HA -0.05 0.30 1.05 -0.75 4.35 4.90 2og7A1 LEU 277 HB2 -0.00 -0.03 -0.12 -0.04 1.64 1.44 2og7A1 LEU 277 HB3 -0.00 -0.06 0.16 -0.04 1.64 1.69 2og7A1 LEU 277 HG -0.05 0.03 -0.38 -0.04 1.64 1.19 2og7A1 LEU 277 HD13 -0.03 0.03 -0.27 -0.04 0.93 0.61 2og7A1 LEU 277 HD23 0.04 -0.01 -0.13 -0.04 0.89 0.74 2og7A1 ALA 278 H -0.08 0.62 0.35 -0.55 8.40 8.74 2og7A1 ALA 278 HA -0.14 0.25 1.06 -0.75 4.34 4.74 2og7A1 ALA 278 HB3 -0.18 -0.01 0.07 -0.04 1.41 1.25 2og7A1 ILE 279 H -0.18 0.79 0.39 -0.55 8.25 8.71 2og7A1 ILE 279 HA -0.03 0.26 1.04 -0.75 4.18 4.69 2og7A1 ILE 279 HB -0.42 -0.03 0.12 -0.04 1.89 1.52 2og7A1 ILE 279 HG12 -0.10 0.00 -0.19 -0.04 1.49 1.16 2og7A1 ILE 279 HG13 -0.15 -0.03 -0.42 -0.04 1.21 0.57 2og7A1 ILE 279 HG23 -0.02 0.00 -0.21 -0.04 0.93 0.67 2og7A1 ILE 279 HD13 -0.20 -0.00 -0.14 -0.04 0.88 0.49 2og7A1 VAL 280 H 0.09 0.70 0.33 -0.55 8.24 8.81 2og7A1 VAL 280 HA 0.15 0.20 0.93 -0.75 4.13 4.66 2og7A1 VAL 280 HB 0.02 -0.10 0.12 -0.04 2.12 2.12 2og7A1 VAL 280 HG13 0.08 0.03 -0.22 -0.04 0.97 0.81 2og7A1 VAL 280 HG23 -0.07 0.00 -0.15 -0.04 0.95 0.70 2og7A1 ASP 281 H 0.28 0.82 0.37 -0.55 8.40 9.33 2og7A1 ASP 281 HA 0.16 0.13 0.85 -0.75 4.63 5.02 2og7A1 ASP 281 HB2 0.17 0.04 0.10 -0.04 2.71 2.98 2og7A1 ASP 281 HB3 0.06 0.02 0.32 -0.04 2.70 3.05 2og7A1 ASN 282 H -0.09 0.59 0.34 -0.55 8.53 8.83 2og7A1 ASN 282 HA 0.00 0.18 0.45 -0.75 4.76 4.64 2og7A1 ASN 282 HB2 0.02 -0.15 -0.14 -0.04 2.88 2.57 2og7A1 ASN 282 HB3 -0.08 0.32 -0.09 -0.04 2.79 2.90 2og7A1 ASN 282 HD21 -0.05 0.13 0.01 -0.04 7.03 7.08 2og7A1 ASN 282 HD22 -0.07 0.63 -0.05 -0.04 7.74 8.22 2og7A1 ARG 283 H -0.15 0.07 -0.22 -0.55 8.46 7.60 2og7A1 ARG 283 HA -0.09 0.21 0.74 -0.75 4.34 4.44 2og7A1 ARG 283 HB2 -0.14 -0.03 0.11 -0.04 1.90 1.80 2og7A1 ARG 283 HB3 -0.08 -0.03 0.06 -0.04 1.80 1.71 2og7A1 ARG 283 HG2 -0.11 -0.04 0.06 -0.04 1.67 1.54 2og7A1 ARG 283 HG3 -0.11 0.07 0.07 -0.04 1.67 1.66 2og7A1 ARG 283 HD2 -0.22 -0.05 0.08 -0.04 3.22 3.00 2og7A1 ARG 283 HD3 -0.25 0.06 0.14 -0.04 3.22 3.13 2og7A1 VAL 284 H -0.06 0.26 -0.03 -0.55 8.24 7.85 2og7A1 VAL 284 HA -0.05 0.20 1.00 -0.75 4.13 4.53 2og7A1 VAL 284 HB -0.03 -0.14 0.12 -0.04 2.12 2.03 2og7A1 VAL 284 HG13 -0.04 0.05 -0.10 -0.04 0.97 0.83 2og7A1 VAL 284 HG23 -0.04 -0.00 0.00 -0.04 0.95 0.87 2og7A1 THR 285 H -0.03 0.34 0.14 -0.55 8.28 8.18 2og7A1 THR 285 HA -0.06 0.15 1.02 -0.75 4.39 4.75 2og7A1 THR 285 HB 0.04 0.12 0.11 -0.04 4.32 4.55 2og7A1 THR 285 HG23 0.03 -0.00 -0.25 -0.04 1.22 0.95 2og7A1 VAL 286 H -0.24 0.55 0.29 -0.55 8.24 8.30 2og7A1 VAL 286 HA -0.15 0.24 0.73 -0.75 4.13 4.20 2og7A1 VAL 286 HB -0.34 -0.12 -0.13 -0.04 2.12 1.49 2og7A1 VAL 286 HG13 -0.32 0.00 -0.27 -0.04 0.97 0.34 2og7A1 VAL 286 HG23 -1.28 0.04 -0.09 -0.04 0.95 -0.43 2og7A1 HIS 287 H -0.50 0.62 0.39 -0.55 8.41 8.37 2og7A1 HIS 287 HA 0.11 0.29 0.92 -0.75 4.63 5.19 2og7A1 HIS 287 HB2 -0.01 0.07 0.20 -0.04 3.26 3.49 2og7A1 HIS 287 HB3 -0.02 -0.01 -0.08 -0.04 3.20 3.05 2og7A1 HIS 287 HD2 -0.00 0.02 -0.20 -0.04 6.97 6.73 2og7A1 HIS 287 HE1 0.03 -0.11 -0.03 -0.04 7.75 7.60 2og7A1 GLY 288 H 0.07 0.66 0.38 -0.55 8.43 8.99 2og7A1 GLY 288 HA2 -0.08 0.15 0.37 -0.51 4.01 3.94 2og7A1 GLY 288 HA3 -0.48 0.05 0.23 -0.51 4.01 3.30 2og7A1 ARG 289 H -0.10 0.52 0.26 -0.55 8.46 8.59 2og7A1 ARG 289 HA 0.02 0.22 0.90 -0.75 4.34 4.73 2og7A1 ARG 289 HB2 0.10 -0.01 -0.31 -0.04 1.90 1.63 2og7A1 ARG 289 HB3 0.10 0.01 -0.05 -0.04 1.80 1.83 2og7A1 ARG 289 HG2 0.04 0.01 0.02 -0.04 1.67 1.70 2og7A1 ARG 289 HG3 0.06 -0.08 -0.12 -0.04 1.67 1.48 2og7A1 ARG 289 HD2 0.22 0.26 -0.13 -0.04 3.22 3.53 2og7A1 ARG 289 HD3 0.03 -0.12 -0.12 -0.04 3.22 2.96 2og7A1 THR 290 H 0.03 0.37 0.26 -0.55 8.28 8.39 2og7A1 THR 290 HA 0.02 0.00 0.45 -0.75 4.39 4.11 2og7A1 THR 290 HB 0.05 0.05 0.13 -0.04 4.32 4.52 2og7A1 THR 290 HG23 0.02 0.02 0.01 -0.04 1.22 1.23 2og7A1 GLU 291 H 0.06 0.03 0.12 -0.55 8.60 8.28 2og7A1 GLU 291 HA 0.10 0.30 0.28 -0.75 4.29 4.22 2og7A1 GLU 291 HB2 0.03 -0.15 0.12 -0.04 2.09 2.04 2og7A1 GLU 291 HB3 0.05 -0.04 0.11 -0.04 1.99 2.07 2og7A1 GLU 291 HG2 0.02 0.01 -0.22 -0.04 2.34 2.11 2og7A1 GLU 291 HG3 -0.01 0.10 0.18 -0.04 2.34 2.57 2og7A1 PHE 292 H -0.03 0.75 0.33 -0.55 8.34 8.83 2og7A1 PHE 292 HA -0.01 0.08 0.33 -0.75 4.62 4.26 2og7A1 PHE 292 HB2 -0.02 -0.18 0.03 -0.04 3.15 2.95 2og7A1 PHE 292 HB3 -0.00 0.10 -0.33 -0.04 3.06 2.78 2og7A1 PHE 292 HD2 -0.02 0.06 -0.20 -0.04 7.28 7.08 2og7A1 PHE 292 HE2 -0.01 0.02 -0.02 -0.04 7.38 7.33 2og7A1 PHE 292 HZ 0.01 0.10 -0.04 -0.04 7.32 7.35 2og7A1 THR 293 H 0.11 0.12 0.04 -0.55 8.28 8.01 2og7A1 THR 293 HA -0.18 0.23 0.89 -0.75 4.39 4.57 2og7A1 THR 293 HB -0.01 -0.04 0.15 -0.04 4.32 4.38 2og7A1 THR 293 HG23 -0.06 0.03 -0.09 -0.04 1.22 1.06 2og7A1 PRO 294 HA -0.11 -0.04 0.47 -0.51 4.44 4.26 2og7A1 PRO 294 HB2 -1.70 0.03 -0.10 -0.04 2.28 0.46 2og7A1 PRO 294 HB3 -0.50 0.01 0.07 -0.04 2.02 1.56 2og7A1 PRO 294 HG2 -0.42 0.04 -0.05 -0.04 2.03 1.56 2og7A1 PRO 294 HG3 -0.69 0.09 -0.02 -0.04 2.03 1.37 2og7A1 PRO 294 HD2 -0.35 0.06 0.15 -0.04 3.68 3.50 2og7A1 PRO 294 HD3 -0.60 0.42 0.07 -0.04 3.65 3.50 2og7A1 ARG 295 H -0.13 0.03 0.20 -0.55 8.46 8.01 2og7A1 ARG 295 HA -0.08 0.23 0.66 -0.75 4.34 4.40 2og7A1 ARG 295 HB2 -0.02 -0.20 0.10 -0.04 1.90 1.74 2og7A1 ARG 295 HB3 -0.01 0.06 0.01 -0.04 1.80 1.83 2og7A1 ARG 295 HG2 -0.01 0.09 0.01 -0.04 1.67 1.71 2og7A1 ARG 295 HG3 -0.02 -0.01 0.04 -0.04 1.67 1.64 2og7A1 ARG 295 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.09 2og7A1 ARG 295 HD3 0.01 0.02 -0.03 -0.04 3.22 3.18 2og7A1 TYR 296 H -0.22 0.01 0.02 -0.55 8.29 7.55 2og7A1 TYR 296 HA -0.02 0.05 0.31 -0.75 4.56 4.14 2og7A1 TYR 296 HB2 -0.02 0.21 -0.00 -0.04 3.06 3.20 2og7A1 TYR 296 HB3 -0.03 0.02 0.21 -0.04 2.98 3.14 2og7A1 TYR 296 HD2 -0.04 0.07 -0.08 -0.04 7.15 7.07 2og7A1 TYR 296 HE2 -0.06 0.06 -0.34 -0.04 6.85 6.47 2og7A1 ASP 297 H 0.04 -0.12 -0.12 -0.55 8.40 7.65 2og7A1 ASP 297 HA 0.04 0.30 0.86 -0.75 4.63 5.07 2og7A1 ASP 297 HB2 0.02 0.05 0.13 -0.04 2.71 2.88 2og7A1 ASP 297 HB3 0.03 0.14 -0.15 -0.04 2.70 2.68 2og7A1 GLY 298 H 0.03 0.04 -0.02 -0.55 8.43 7.94 2og7A1 GLY 298 HA2 -0.02 0.25 0.34 -0.51 4.01 4.07 2og7A1 GLY 298 HA3 0.01 0.20 0.57 -0.51 4.01 4.28 2og7A1 THR 299 H 0.03 -0.12 -0.19 -0.55 8.28 7.45 2og7A1 THR 299 HA 0.06 0.32 0.90 -0.75 4.39 4.92 2og7A1 THR 299 HB 0.04 0.05 0.14 -0.04 4.32 4.51 2og7A1 THR 299 HG23 0.03 0.04 -0.14 -0.04 1.22 1.11 2og7A1 ASP 300 H 0.03 -0.09 -0.05 -0.55 8.40 7.74 2og7A1 ASP 300 HA 0.05 0.02 0.45 -0.75 4.63 4.40 2og7A1 ASP 300 HB2 0.04 0.12 0.10 -0.04 2.71 2.92 2og7A1 ASP 300 HB3 0.11 0.12 0.16 -0.04 2.70 3.05 2og7A1 ARG 301 H 0.05 -0.09 0.17 -0.55 8.46 8.04 2og7A1 ARG 301 HA 0.05 0.20 0.08 -0.75 4.34 3.92 2og7A1 ARG 301 HB2 -0.18 -0.17 0.16 -0.04 1.90 1.67 2og7A1 ARG 301 HB3 0.01 0.03 0.08 -0.04 1.80 1.89 2og7A1 ARG 301 HG2 0.01 0.08 -0.20 -0.04 1.67 1.52 2og7A1 ARG 301 HG3 -0.07 -0.05 0.01 -0.04 1.67 1.52 2og7A1 ARG 301 HD2 -0.55 -0.12 -0.01 -0.04 3.22 2.50 2og7A1 ARG 301 HD3 -0.25 0.09 -0.08 -0.04 3.22 2.94 2og7A1 TRP 302 H 0.19 0.66 0.26 -0.55 7.97 8.54 2og7A1 TRP 302 HA 0.01 0.29 0.86 -0.75 4.62 5.02 2og7A1 TRP 302 HB2 0.01 0.16 -0.12 -0.04 3.23 3.24 2og7A1 TRP 302 HB3 -0.01 -0.19 0.18 -0.04 3.23 3.18 2og7A1 TRP 302 HD1 -0.01 0.21 -0.12 -0.04 7.22 7.27 2og7A1 TRP 302 HE1 -0.02 -0.06 -0.15 -0.04 10.20 9.93 2og7A1 TRP 302 HE3 0.00 0.05 -0.13 -0.04 7.59 7.47 2og7A1 TRP 302 HZ2 -0.03 -0.07 -0.09 -0.04 7.44 7.21 2og7A1 TRP 302 HZ3 -0.00 0.32 -0.24 -0.04 7.13 7.17 2og7A1 TRP 302 HH2 -0.01 -0.02 -0.07 -0.04 7.19 7.04 2og7A1 LEU 303 H 0.28 0.59 0.25 -0.55 8.37 8.94 2og7A1 LEU 303 HA -0.00 0.18 1.08 -0.75 4.35 4.86 2og7A1 LEU 303 HB2 0.08 -0.01 -0.00 -0.04 1.64 1.67 2og7A1 LEU 303 HB3 0.02 0.02 -0.04 -0.04 1.64 1.60 2og7A1 LEU 303 HG 0.07 0.05 -0.09 -0.04 1.64 1.63 2og7A1 LEU 303 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.81 2og7A1 LEU 303 HD23 0.01 -0.01 -0.25 -0.04 0.89 0.60 2og7A1 GLN 304 H -0.06 0.67 0.36 -0.55 8.47 8.89 2og7A1 GLN 304 HA 0.06 0.35 0.90 -0.75 4.36 4.92 2og7A1 GLN 304 HB2 -0.12 -0.04 0.03 -0.04 2.15 1.98 2og7A1 GLN 304 HB3 -0.05 -0.01 -0.09 -0.04 2.02 1.83 2og7A1 GLN 304 HG2 0.16 0.08 -0.15 -0.04 2.40 2.45 2og7A1 GLN 304 HG3 -0.22 -0.03 -0.37 -0.04 2.39 1.73 2og7A1 GLN 304 HE21 0.03 -0.04 -0.13 -0.04 6.97 6.79 2og7A1 GLN 304 HE22 0.29 0.05 -0.21 -0.04 7.69 7.78 2og7A1 ARG 305 H -0.04 0.49 0.31 -0.55 8.46 8.67 2og7A1 ARG 305 HA -0.07 0.43 1.11 -0.75 4.34 5.05 2og7A1 ARG 305 HB2 -0.02 -0.06 -0.13 -0.04 1.90 1.64 2og7A1 ARG 305 HB3 -0.12 -0.03 0.05 -0.04 1.80 1.67 2og7A1 ARG 305 HG2 -0.34 -0.01 -0.26 -0.04 1.67 1.02 2og7A1 ARG 305 HG3 -0.03 0.12 -0.04 -0.04 1.67 1.69 2og7A1 ARG 305 HD2 0.26 -0.02 -0.11 -0.04 3.22 3.31 2og7A1 ARG 305 HD3 0.09 -0.02 -0.12 -0.04 3.22 3.13 2og7A1 THR 306 H -0.10 0.52 0.37 -0.55 8.28 8.52 2og7A1 THR 306 HA -0.27 0.29 0.93 -0.75 4.39 4.59 2og7A1 THR 306 HB -0.07 -0.10 0.06 -0.04 4.32 4.18 2og7A1 THR 306 HG23 -0.06 0.05 -0.04 -0.04 1.22 1.13 2og7A1 PHE 307 H -0.22 0.29 0.28 -0.55 8.34 8.15 2og7A1 PHE 307 HA 0.08 0.18 1.00 -0.75 4.62 5.13 2og7A1 PHE 307 HB2 0.07 0.27 0.17 -0.04 3.15 3.62 2og7A1 PHE 307 HB3 0.13 -0.01 0.07 -0.04 3.06 3.20 2og7A1 PHE 307 HD2 0.17 0.07 0.05 -0.04 7.28 7.53 2og7A1 PHE 307 HE2 0.24 -0.04 -0.04 -0.04 7.38 7.49 2og7A1 PHE 307 HZ 0.19 -0.07 -0.06 -0.04 7.32 7.34 2og7A1 VAL 308 H 0.25 0.60 0.36 -0.55 8.24 8.91 2og7A1 VAL 308 HA 0.10 0.34 0.97 -0.75 4.13 4.78 2og7A1 VAL 308 HB 0.36 -0.15 0.05 -0.04 2.12 2.34 2og7A1 VAL 308 HG13 0.11 0.01 -0.35 -0.04 0.97 0.70 2og7A1 VAL 308 HG23 0.04 0.01 -0.28 -0.04 0.95 0.68 2og7A1 LEU 309 H 0.07 0.79 0.22 -0.55 8.37 8.90 2og7A1 LEU 309 HA 0.04 0.05 0.86 -0.75 4.35 4.55 2og7A1 LEU 309 HB2 0.02 0.06 0.02 -0.04 1.64 1.70 2og7A1 LEU 309 HB3 0.01 -0.07 -0.16 -0.04 1.64 1.38 2og7A1 LEU 309 HG 0.03 -0.05 -0.29 -0.04 1.64 1.29 2og7A1 LEU 309 HD13 -0.07 0.02 -0.11 -0.04 0.93 0.72 2og7A1 LEU 309 HD23 0.04 0.02 -0.14 -0.04 0.89 0.76 2og7A1 THR 310 H 0.01 0.17 0.09 -0.55 8.28 8.00 2og7A1 THR 310 HA 0.08 0.25 0.52 -0.75 4.39 4.49 2og7A1 THR 310 HB 0.04 0.03 0.06 -0.04 4.32 4.42 2og7A1 THR 310 HG23 0.12 0.05 0.02 -0.04 1.22 1.37 2og7A1 ASP 311 H 0.01 0.09 -0.30 -0.55 8.40 7.66 2og7A1 ASP 311 HA 0.01 0.19 0.69 -0.75 4.63 4.76 2og7A1 ASP 311 HB2 0.01 0.12 -0.10 -0.04 2.71 2.70 2og7A1 ASP 311 HB3 0.01 -0.00 0.13 -0.04 2.70 2.80 2og7A1 LEU 312 H 0.00 0.32 -0.11 -0.55 8.37 8.04 2og7A1 LEU 312 HA -0.04 0.08 0.28 -0.75 4.35 3.91 2og7A1 LEU 312 HB2 0.01 0.09 0.04 -0.04 1.64 1.74 2og7A1 LEU 312 HB3 -0.02 -0.03 -0.01 -0.04 1.64 1.54 2og7A1 LEU 312 HG -0.10 -0.04 -0.16 -0.04 1.64 1.30 2og7A1 LEU 312 HD13 -0.03 0.03 -0.03 -0.04 0.93 0.87 2og7A1 LEU 312 HD23 -0.10 0.03 -0.07 -0.04 0.89 0.71 2og7A1 ARG 313 H -0.03 0.08 -0.35 -0.55 8.46 7.62 2og7A1 ARG 313 HA -0.05 0.08 0.31 -0.75 4.34 3.92 2og7A1 ARG 313 HB2 -0.02 0.02 0.06 -0.04 1.90 1.91 2og7A1 ARG 313 HB3 -0.02 0.01 -0.01 -0.04 1.80 1.75 2og7A1 ARG 313 HG2 -0.01 0.00 -0.03 -0.04 1.67 1.59 2og7A1 ARG 313 HG3 -0.02 0.01 -0.15 -0.04 1.67 1.47 2og7A1 ARG 313 HD2 -0.04 0.00 0.10 -0.04 3.22 3.25 2og7A1 ARG 313 HD3 -0.02 0.02 0.02 -0.04 3.22 3.19 2og7A1 ARG 314 H -0.04 0.40 -0.34 -0.55 8.46 7.93 2og7A1 ARG 314 HA -0.01 0.00 0.27 -0.75 4.34 3.84 2og7A1 ARG 314 HB2 -0.01 0.12 0.04 -0.04 1.90 2.01 2og7A1 ARG 314 HB3 0.11 -0.00 0.03 -0.04 1.80 1.90 2og7A1 ARG 314 HG2 0.03 -0.04 0.03 -0.04 1.67 1.65 2og7A1 ARG 314 HG3 0.01 -0.05 0.06 -0.04 1.67 1.65 2og7A1 ARG 314 HD2 0.03 -0.03 0.01 -0.04 3.22 3.19 2og7A1 ARG 314 HD3 0.04 0.01 0.03 -0.04 3.22 3.26 2og7A1 SER 315 H -0.20 0.47 -0.43 -0.55 8.46 7.76 2og7A1 SER 315 HA -0.56 0.16 0.74 -0.75 4.49 4.07 2og7A1 SER 315 HB2 -0.31 -0.06 0.08 -0.04 3.95 3.62 2og7A1 SER 315 HB3 -0.80 0.00 -0.05 -0.04 3.93 3.04 2og7A1 ARG 316 H -0.10 0.50 -0.25 -0.55 8.46 8.06 2og7A1 ARG 316 HA -0.08 0.08 0.25 -0.75 4.34 3.84 2og7A1 ARG 316 HB2 -0.05 0.08 0.15 -0.04 1.90 2.04 2og7A1 ARG 316 HB3 -0.04 -0.01 0.10 -0.04 1.80 1.81 2og7A1 ARG 316 HG2 -0.03 -0.03 -0.01 -0.04 1.67 1.56 2og7A1 ARG 316 HG3 -0.03 -0.03 -0.21 -0.04 1.67 1.36 2og7A1 ARG 316 HD2 -0.06 0.06 0.14 -0.04 3.22 3.32 2og7A1 ARG 316 HD3 -0.06 0.03 0.04 -0.04 3.22 3.19 2og7A1 ALA 317 H -0.02 0.15 -0.26 -0.55 8.40 7.72 2og7A1 ALA 317 HA 0.00 -0.01 0.34 -0.75 4.34 3.93 2og7A1 ALA 317 HB3 0.03 0.01 0.04 -0.04 1.41 1.44 2og7A1 MET 318 H -0.01 0.54 -0.43 -0.55 8.47 8.02 2og7A1 MET 318 HA 0.05 0.20 0.76 -0.75 4.52 4.78 2og7A1 MET 318 HB2 0.05 0.11 0.05 -0.04 2.15 2.31 2og7A1 MET 318 HB3 0.13 -0.09 0.17 -0.04 2.03 2.20 2og7A1 MET 318 HG2 0.12 -0.00 -0.28 -0.04 2.63 2.43 2og7A1 MET 318 HG3 0.13 -0.05 -0.14 -0.04 2.56 2.46 2og7A1 MET 318 HE3 0.09 -0.05 -0.04 -0.04 2.10 2.06 2og7A1 ARG 319 H -0.02 0.51 -0.28 -0.55 8.46 8.12 2og7A1 ARG 319 HA -0.03 0.36 0.85 -0.75 4.34 4.77 2og7A1 ARG 319 HB2 -0.08 -0.04 0.07 -0.04 1.90 1.81 2og7A1 ARG 319 HB3 -0.10 -0.00 -0.10 -0.04 1.80 1.56 2og7A1 ARG 319 HG2 -0.08 0.02 -0.57 -0.04 1.67 1.00 2og7A1 ARG 319 HG3 -0.08 0.04 -0.38 -0.04 1.67 1.21 2og7A1 ARG 319 HD2 -0.14 0.37 -0.10 -0.04 3.22 3.30 2og7A1 ARG 319 HD3 -0.11 -0.06 -0.20 -0.04 3.22 2.80 2og7A1 PRO 320 HA -0.01 -0.01 0.44 -0.51 4.44 4.35 2og7A1 PRO 320 HB2 -0.00 0.00 0.05 -0.04 2.28 2.29 2og7A1 PRO 320 HB3 0.00 -0.01 0.08 -0.04 2.02 2.06 2og7A1 PRO 320 HG2 0.01 0.01 0.05 -0.04 2.03 2.07 2og7A1 PRO 320 HG3 0.01 0.04 0.02 -0.04 2.03 2.07 2og7A1 PRO 320 HD2 0.00 0.22 0.23 -0.04 3.68 4.09 2og7A1 PRO 320 HD3 0.01 0.24 -0.31 -0.04 3.65 3.55 2og7A1 ALA 321 H -0.02 0.12 0.21 -0.55 8.40 8.16 2og7A1 ALA 321 HA -0.02 -0.00 0.34 -0.75 4.34 3.90 2og7A1 ALA 321 HB3 -0.01 0.03 0.01 -0.04 1.41 1.39 2og7A1 ASP 322 H -0.05 0.37 -0.21 -0.55 8.40 7.96 2og7A1 ASP 322 HA -0.10 0.09 0.31 -0.75 4.63 4.17 2og7A1 ASP 322 HB2 -0.06 -0.11 -0.12 -0.04 2.71 2.38 2og7A1 ASP 322 HB3 -0.08 0.12 0.08 -0.04 2.70 2.78 2og7A1 GLY 323 H -0.10 0.28 -0.42 -0.55 8.43 7.65 2og7A1 GLY 323 HA2 -0.24 0.09 0.52 -0.51 4.01 3.88 2og7A1 GLY 323 HA3 -0.08 -0.03 0.29 -0.51 4.01 3.68 2og7A1 TYR 324 H 0.08 0.10 0.12 -0.55 8.29 8.04 2og7A1 TYR 324 HA -0.05 0.26 0.77 -0.75 4.56 4.79 2og7A1 TYR 324 HB2 -0.02 -0.02 0.02 -0.04 3.06 3.00 2og7A1 TYR 324 HB3 -0.04 0.04 0.06 -0.04 2.98 3.00 2og7A1 TYR 324 HD2 -0.01 0.15 0.02 -0.04 7.15 7.27 2og7A1 TYR 324 HE2 0.01 -0.06 0.01 -0.04 6.85 6.76 2og7A1 VAL 325 H -0.00 0.07 -0.14 -0.55 8.24 7.62 2og7A1 VAL 325 HA -0.04 0.25 0.90 -0.75 4.13 4.48 2og7A1 VAL 325 HB 0.01 -0.06 0.10 -0.04 2.12 2.13 2og7A1 VAL 325 HG13 0.02 -0.01 -0.23 -0.04 0.97 0.70 2og7A1 VAL 325 HG23 0.03 0.02 -0.11 -0.04 0.95 0.86 2og7A1 LEU 326 H -0.17 0.77 0.39 -0.55 8.37 8.81 2og7A1 LEU 326 HA -0.00 0.35 0.68 -0.75 4.35 4.62 2og7A1 LEU 326 HB2 -0.35 -0.01 0.15 -0.04 1.64 1.39 2og7A1 LEU 326 HB3 0.12 0.00 -0.03 -0.04 1.64 1.69 2og7A1 LEU 326 HG -0.08 0.04 -0.16 -0.04 1.64 1.39 2og7A1 LEU 326 HD13 -0.27 -0.03 -0.16 -0.04 0.93 0.42 2og7A1 LEU 326 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.71 2og7A1 GLY 327 H 0.09 0.70 0.33 -0.55 8.43 9.00 2og7A1 GLY 327 HA2 0.20 0.05 0.76 -0.51 4.01 4.51 2og7A1 GLY 327 HA3 0.11 -0.04 0.41 -0.51 4.01 3.99 2og7A1 ALA 328 H 0.10 0.07 0.16 -0.55 8.40 8.18 2og7A1 ALA 328 HA 0.12 0.04 0.26 -0.75 4.34 4.01 2og7A1 ALA 328 HB3 0.07 0.00 0.09 -0.04 1.41 1.54 2og7A1 ALA 329 H 0.06 0.11 0.09 -0.55 8.40 8.11 2og7A1 ALA 329 HA 0.04 0.03 0.19 -0.75 4.34 3.85 2og7A1 ALA 329 HB3 0.03 0.02 -0.11 -0.04 1.41 1.32