============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 8 1.000 64.709 43.449 65.045 -99.200 -91.000 TRP 12 1.040 69.338 46.890 62.025 -99.200 -91.000 TRP6 12 1.020 71.682 46.729 62.257 -99.200 -91.000 TYR 19 0.840 67.132 50.578 51.479 -99.200 -91.000 PHE 24 1.000 70.629 51.998 56.291 -99.200 -91.000 TRP 29 1.040 68.987 49.606 59.324 -99.200 -91.000 TRP6 29 1.020 66.669 49.679 58.839 -99.200 -91.000 PHE 30 1.000 73.828 49.918 66.459 -99.200 -91.000 TYR 36 0.840 61.603 48.641 65.352 -99.200 -91.000 TYR 49 0.840 58.708 34.786 60.919 -99.200 -91.000 PHE 63 1.000 59.895 48.089 43.626 -99.200 -91.000 PHE 66 1.000 60.240 38.097 57.506 -99.200 -91.000 TYR 92 0.840 55.100 48.339 45.085 -99.200 -91.000 TYR 136 0.840 56.942 39.315 46.876 -99.200 -91.000 HIS 155 0.900 43.670 55.989 38.212 -99.200 -91.000 PHE 180 1.000 64.531 34.778 12.700 -99.200 -91.000 TYR 202 0.840 59.468 42.834 14.120 -99.200 -91.000 PHE 208 1.000 65.494 41.172 27.107 -99.200 -91.000 PHE 220 1.000 69.718 40.290 17.162 -99.200 -91.000 PHE 243 1.000 71.758 42.652 34.584 -99.200 -91.000 TYR 272 0.840 76.754 42.579 34.933 -99.200 -91.000 PHE 318 1.000 56.535 50.893 34.116 -99.200 -91.000 TYR 342 0.840 69.402 46.777 36.286 -99.200 -91.000 PHE 386 1.000 67.009 52.116 10.359 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fc9A1 VAL 78 HA -0.02 -0.10 0.23 -0.75 4.13 3.48 1fc9A1 VAL 78 HB -0.02 0.02 0.04 -0.04 2.12 2.12 1fc9A1 VAL 78 HG13 0.00 -0.00 -0.02 -0.04 0.97 0.91 1fc9A1 VAL 78 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 1fc9A1 THR 79 H -0.02 0.07 0.12 -0.55 8.28 7.89 1fc9A1 THR 79 HA -0.01 0.28 0.85 -0.75 4.39 4.76 1fc9A1 THR 79 HB -0.02 -0.07 0.19 -0.04 4.32 4.38 1fc9A1 THR 79 HG23 -0.03 0.06 0.04 -0.04 1.22 1.25 1fc9A1 SER 80 H -0.00 0.22 0.20 -0.55 8.46 8.33 1fc9A1 SER 80 HA 0.02 0.14 0.39 -0.75 4.49 4.29 1fc9A1 SER 80 HB2 -0.00 -0.05 0.17 -0.04 3.95 4.03 1fc9A1 SER 80 HB3 0.01 0.03 0.01 -0.04 3.93 3.94 1fc9A1 GLU 81 H -0.01 0.14 -0.06 -0.55 8.60 8.13 1fc9A1 GLU 81 HA 0.01 0.03 0.43 -0.75 4.29 4.00 1fc9A1 GLU 81 HB2 -0.04 0.17 0.06 -0.04 2.09 2.24 1fc9A1 GLU 81 HB3 -0.04 -0.03 -0.06 -0.04 1.99 1.82 1fc9A1 GLU 81 HG2 -0.03 -0.07 0.02 -0.04 2.34 2.22 1fc9A1 GLU 81 HG3 -0.04 0.15 -0.29 -0.04 2.34 2.11 1fc9A1 GLN 82 H -0.01 0.06 -0.27 -0.55 8.47 7.70 1fc9A1 GLN 82 HA 0.01 0.08 0.45 -0.75 4.36 4.15 1fc9A1 GLN 82 HB2 -0.02 -0.02 0.13 -0.04 2.15 2.20 1fc9A1 GLN 82 HB3 -0.02 0.06 0.02 -0.04 2.02 2.04 1fc9A1 GLN 82 HG2 -0.12 0.11 0.07 -0.04 2.40 2.42 1fc9A1 GLN 82 HG3 -0.07 -0.08 0.07 -0.04 2.39 2.27 1fc9A1 GLN 82 HE21 -0.08 0.04 0.04 -0.04 6.97 6.93 1fc9A1 GLN 82 HE22 -0.12 0.16 0.08 -0.04 7.69 7.77 1fc9A1 LEU 83 H 0.03 0.55 -0.24 -0.55 8.37 8.16 1fc9A1 LEU 83 HA 0.05 0.05 0.36 -0.75 4.35 4.05 1fc9A1 LEU 83 HB2 0.04 0.08 0.15 -0.04 1.64 1.86 1fc9A1 LEU 83 HB3 0.04 -0.05 0.01 -0.04 1.64 1.61 1fc9A1 LEU 83 HG 0.02 0.17 -0.15 -0.04 1.64 1.65 1fc9A1 LEU 83 HD13 0.02 -0.02 -0.11 -0.04 0.93 0.78 1fc9A1 LEU 83 HD23 0.03 -0.00 -0.06 -0.04 0.89 0.81 1fc9A1 LEU 84 H 0.07 0.49 -0.15 -0.55 8.37 8.22 1fc9A1 LEU 84 HA 0.09 -0.01 0.51 -0.75 4.35 4.19 1fc9A1 LEU 84 HB2 0.08 0.03 0.10 -0.04 1.64 1.80 1fc9A1 LEU 84 HB3 0.09 0.10 0.17 -0.04 1.64 1.96 1fc9A1 LEU 84 HG 0.14 0.00 -0.17 -0.04 1.64 1.58 1fc9A1 LEU 84 HD13 0.13 -0.02 0.02 -0.04 0.93 1.02 1fc9A1 LEU 84 HD23 0.21 -0.01 -0.04 -0.04 0.89 1.02 1fc9A1 PHE 85 H 0.21 0.61 -0.01 -0.55 8.34 8.60 1fc9A1 PHE 85 HA -0.00 -0.03 0.40 -0.75 4.62 4.23 1fc9A1 PHE 85 HB2 -0.03 -0.02 0.12 -0.04 3.15 3.18 1fc9A1 PHE 85 HB3 -0.04 0.18 0.17 -0.04 3.06 3.34 1fc9A1 PHE 85 HD2 -0.08 0.02 -0.11 -0.04 7.28 7.07 1fc9A1 PHE 85 HE2 -0.16 0.09 -0.14 -0.04 7.38 7.13 1fc9A1 PHE 85 HZ -0.33 0.02 -0.08 -0.04 7.32 6.89 1fc9A1 LEU 86 H 0.15 0.52 -0.37 -0.55 8.37 8.12 1fc9A1 LEU 86 HA -0.05 -0.01 0.38 -0.75 4.35 3.91 1fc9A1 LEU 86 HB2 0.07 0.13 0.12 -0.04 1.64 1.93 1fc9A1 LEU 86 HB3 0.09 -0.05 0.01 -0.04 1.64 1.64 1fc9A1 LEU 86 HG 0.14 0.14 0.04 -0.04 1.64 1.91 1fc9A1 LEU 86 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 1fc9A1 LEU 86 HD23 -0.26 -0.01 -0.04 -0.04 0.89 0.54 1fc9A1 GLU 87 H 0.07 0.45 -0.11 -0.55 8.60 8.47 1fc9A1 GLU 87 HA 0.09 0.05 0.43 -0.75 4.29 4.11 1fc9A1 GLU 87 HB2 0.08 0.05 0.17 -0.04 2.09 2.35 1fc9A1 GLU 87 HB3 0.07 -0.03 0.05 -0.04 1.99 2.03 1fc9A1 GLU 87 HG2 0.07 0.02 0.06 -0.04 2.34 2.44 1fc9A1 GLU 87 HG3 0.07 0.27 0.10 -0.04 2.34 2.74 1fc9A1 ALA 88 H 0.00 0.47 -0.21 -0.55 8.40 8.11 1fc9A1 ALA 88 HA 0.04 -0.00 0.42 -0.75 4.34 4.05 1fc9A1 ALA 88 HB3 -0.09 0.03 0.06 -0.04 1.41 1.36 1fc9A1 TRP 89 H -0.14 0.71 0.07 -0.55 7.97 8.06 1fc9A1 TRP 89 HA -0.10 0.01 0.40 -0.75 4.62 4.18 1fc9A1 TRP 89 HB2 -0.84 0.01 0.08 -0.04 3.23 2.43 1fc9A1 TRP 89 HB3 -0.38 0.05 0.14 -0.04 3.23 2.99 1fc9A1 TRP 89 HD1 -1.31 -0.00 0.01 -0.04 7.22 5.88 1fc9A1 TRP 89 HE1 -1.50 0.46 0.01 -0.04 10.20 9.13 1fc9A1 TRP 89 HE3 -0.07 0.12 -0.14 -0.04 7.59 7.46 1fc9A1 TRP 89 HZ2 0.08 -0.11 -0.20 -0.04 7.44 7.18 1fc9A1 TRP 89 HZ3 0.09 0.02 -0.06 -0.04 7.13 7.14 1fc9A1 TRP 89 HH2 0.30 0.01 -0.05 -0.04 7.19 7.41 1fc9A1 ARG 90 H 0.21 0.70 -0.32 -0.55 8.46 8.51 1fc9A1 ARG 90 HA -0.37 -0.00 0.42 -0.75 4.34 3.63 1fc9A1 ARG 90 HB2 0.25 0.31 0.15 -0.04 1.90 2.58 1fc9A1 ARG 90 HB3 0.09 0.02 -0.02 -0.04 1.80 1.84 1fc9A1 ARG 90 HG2 0.04 -0.06 0.04 -0.04 1.67 1.66 1fc9A1 ARG 90 HG3 0.44 -0.02 -0.01 -0.04 1.67 2.05 1fc9A1 ARG 90 HD2 0.09 -0.01 -0.06 -0.04 3.22 3.20 1fc9A1 ARG 90 HD3 0.17 -0.01 -0.04 -0.04 3.22 3.30 1fc9A1 ALA 91 H 0.02 0.59 -0.11 -0.55 8.40 8.35 1fc9A1 ALA 91 HA -0.00 0.00 0.43 -0.75 4.34 4.01 1fc9A1 ALA 91 HB3 0.03 0.03 0.12 -0.04 1.41 1.54 1fc9A1 VAL 92 H -0.05 0.42 -0.32 -0.55 8.24 7.74 1fc9A1 VAL 92 HA -0.07 0.01 0.41 -0.75 4.13 3.73 1fc9A1 VAL 92 HB -0.01 0.14 0.09 -0.04 2.12 2.30 1fc9A1 VAL 92 HG13 -0.77 -0.01 -0.10 -0.04 0.97 0.05 1fc9A1 VAL 92 HG23 0.00 0.02 -0.02 -0.04 0.95 0.91 1fc9A1 ASP 93 H -0.37 0.56 0.02 -0.55 8.40 8.07 1fc9A1 ASP 93 HA -0.40 -0.04 0.40 -0.75 4.63 3.84 1fc9A1 ASP 93 HB2 -1.56 0.06 0.10 -0.04 2.71 1.26 1fc9A1 ASP 93 HB3 -0.46 0.06 0.08 -0.04 2.70 2.34 1fc9A1 ARG 94 H -0.11 0.60 -0.28 -0.55 8.46 8.12 1fc9A1 ARG 94 HA -0.01 0.12 0.77 -0.75 4.34 4.47 1fc9A1 ARG 94 HB2 -0.02 0.06 0.09 -0.04 1.90 1.98 1fc9A1 ARG 94 HB3 -0.01 -0.05 0.00 -0.04 1.80 1.70 1fc9A1 ARG 94 HG2 0.01 -0.04 -0.04 -0.04 1.67 1.56 1fc9A1 ARG 94 HG3 -0.03 0.09 -0.00 -0.04 1.67 1.69 1fc9A1 ARG 94 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.14 1fc9A1 ARG 94 HD3 0.04 -0.05 -0.04 -0.04 3.22 3.12 1fc9A1 ALA 95 H -0.03 0.44 0.01 -0.55 8.40 8.27 1fc9A1 ALA 95 HA -0.05 0.18 0.73 -0.75 4.34 4.46 1fc9A1 ALA 95 HB3 -0.02 -0.04 0.01 -0.04 1.41 1.32 1fc9A1 TYR 96 H 0.02 0.58 -0.06 -0.55 8.29 8.28 1fc9A1 TYR 96 HA -0.17 0.09 0.43 -0.75 4.56 4.15 1fc9A1 TYR 96 HB2 -0.22 0.02 0.15 -0.04 3.06 2.97 1fc9A1 TYR 96 HB3 -0.43 0.04 0.02 -0.04 2.98 2.56 1fc9A1 TYR 96 HD2 -0.40 0.15 0.09 -0.04 7.15 6.94 1fc9A1 TYR 96 HE2 -0.15 -0.09 0.10 -0.04 6.85 6.67 1fc9A1 VAL 97 H -1.01 0.41 0.33 -0.55 8.24 7.42 1fc9A1 VAL 97 HA -0.35 0.27 0.36 -0.75 4.13 3.66 1fc9A1 VAL 97 HB -0.39 -0.07 -0.39 -0.04 2.12 1.23 1fc9A1 VAL 97 HG13 -0.74 -0.01 -0.04 -0.04 0.97 0.14 1fc9A1 VAL 97 HG23 -0.27 -0.00 -0.11 -0.04 0.95 0.52 1fc9A1 ASP 98 H -1.07 0.15 -0.23 -0.55 8.40 6.70 1fc9A1 ASP 98 HA -0.30 0.14 0.98 -0.75 4.63 4.70 1fc9A1 ASP 98 HB2 -0.26 0.10 0.02 -0.04 2.71 2.52 1fc9A1 ASP 98 HB3 -0.22 0.03 0.20 -0.04 2.70 2.67 1fc9A1 LYS 99 H -0.29 0.21 0.10 -0.55 8.42 7.89 1fc9A1 LYS 99 HA -0.93 0.22 0.60 -0.75 4.32 3.45 1fc9A1 LYS 99 HB2 -0.15 -0.00 0.07 -0.04 1.87 1.74 1fc9A1 LYS 99 HB3 -0.10 0.02 0.18 -0.04 1.79 1.85 1fc9A1 LYS 99 HG2 -0.20 -0.04 -0.06 -0.04 1.46 1.11 1fc9A1 LYS 99 HG3 -0.10 0.02 0.01 -0.04 1.46 1.36 1fc9A1 LYS 99 HD2 -0.23 -0.04 0.02 -0.04 1.69 1.40 1fc9A1 LYS 99 HD3 -0.47 -0.07 -0.36 -0.04 1.68 0.74 1fc9A1 LYS 99 HE2 -0.09 -0.08 -0.36 -0.04 2.99 2.42 1fc9A1 LYS 99 HE3 -0.11 -0.05 -0.11 -0.04 2.99 2.68 1fc9A1 SER 100 H -0.25 -0.02 -0.51 -0.55 8.46 7.14 1fc9A1 SER 100 HA 0.06 0.27 0.86 -0.75 4.49 4.92 1fc9A1 SER 100 HB2 0.04 0.07 0.13 -0.04 3.95 4.15 1fc9A1 SER 100 HB3 -0.03 0.04 0.03 -0.04 3.93 3.93 1fc9A1 PHE 101 H -0.58 0.39 -0.20 -0.55 8.34 7.40 1fc9A1 PHE 101 HA -0.08 0.09 0.35 -0.75 4.62 4.23 1fc9A1 PHE 101 HB2 0.07 0.20 -0.22 -0.04 3.15 3.16 1fc9A1 PHE 101 HB3 -0.16 -0.01 0.08 -0.04 3.06 2.93 1fc9A1 PHE 101 HD2 -0.61 -0.01 -0.13 -0.04 7.28 6.49 1fc9A1 PHE 101 HE2 -0.43 0.08 -0.06 -0.04 7.38 6.92 1fc9A1 PHE 101 HZ -0.26 0.26 0.11 -0.04 7.32 7.39 1fc9A1 ASN 102 H 0.03 -0.03 -0.18 -0.55 8.53 7.81 1fc9A1 ASN 102 HA 0.06 -0.02 0.31 -0.75 4.76 4.35 1fc9A1 ASN 102 HB2 0.08 -0.04 -0.05 -0.04 2.88 2.82 1fc9A1 ASN 102 HB3 0.10 0.29 -0.08 -0.04 2.79 3.05 1fc9A1 ASN 102 HD21 0.06 -0.10 -0.02 -0.04 7.03 6.93 1fc9A1 ASN 102 HD22 0.09 0.27 0.23 -0.04 7.74 8.29 1fc9A1 GLY 103 H 0.08 0.04 -0.28 -0.55 8.43 7.72 1fc9A1 GLY 103 HA2 0.09 -0.04 0.28 -0.51 4.01 3.83 1fc9A1 GLY 103 HA3 0.07 -0.00 0.34 -0.51 4.01 3.91 1fc9A1 GLN 104 H 0.21 0.39 -0.41 -0.55 8.47 8.12 1fc9A1 GLN 104 HA 0.15 0.14 0.90 -0.75 4.36 4.80 1fc9A1 GLN 104 HB2 0.34 -0.06 -0.07 -0.04 2.15 2.32 1fc9A1 GLN 104 HB3 0.20 -0.13 0.01 -0.04 2.02 2.06 1fc9A1 GLN 104 HG2 0.15 0.26 -0.17 -0.04 2.40 2.61 1fc9A1 GLN 104 HG3 0.20 -0.01 -0.07 -0.04 2.39 2.47 1fc9A1 GLN 104 HE21 0.08 -0.12 0.01 -0.04 6.97 6.90 1fc9A1 GLN 104 HE22 0.09 0.24 0.01 -0.04 7.69 7.99 1fc9A1 SER 105 H 0.15 0.18 0.06 -0.55 8.46 8.30 1fc9A1 SER 105 HA 0.22 0.23 0.78 -0.75 4.49 4.96 1fc9A1 SER 105 HB2 0.13 0.13 0.10 -0.04 3.95 4.28 1fc9A1 SER 105 HB3 0.11 -0.00 0.22 -0.04 3.93 4.22 1fc9A1 TRP 106 H 0.32 0.40 0.05 -0.55 7.97 8.19 1fc9A1 TRP 106 HA -0.06 0.10 0.33 -0.75 4.62 4.24 1fc9A1 TRP 106 HB2 -1.01 0.12 0.04 -0.04 3.23 2.35 1fc9A1 TRP 106 HB3 -0.55 0.01 0.02 -0.04 3.23 2.67 1fc9A1 TRP 106 HD1 -1.15 0.01 -0.05 -0.04 7.22 5.99 1fc9A1 TRP 106 HE1 -1.56 0.28 0.09 -0.04 10.20 8.97 1fc9A1 TRP 106 HE3 -0.13 0.00 -0.11 -0.04 7.59 7.31 1fc9A1 TRP 106 HZ2 -0.31 -0.02 -0.03 -0.04 7.44 7.04 1fc9A1 TRP 106 HZ3 -0.09 0.07 -0.08 -0.04 7.13 6.99 1fc9A1 TRP 106 HH2 -0.16 0.05 -0.18 -0.04 7.19 6.87 1fc9A1 PHE 107 H 0.36 0.10 -0.25 -0.55 8.34 8.01 1fc9A1 PHE 107 HA 0.11 0.14 0.50 -0.75 4.62 4.60 1fc9A1 PHE 107 HB2 0.21 0.05 0.06 -0.04 3.15 3.44 1fc9A1 PHE 107 HB3 0.07 0.00 0.02 -0.04 3.06 3.12 1fc9A1 PHE 107 HD2 0.11 0.01 -0.10 -0.04 7.28 7.26 1fc9A1 PHE 107 HE2 -0.10 0.02 -0.04 -0.04 7.38 7.22 1fc9A1 PHE 107 HZ -0.12 0.02 -0.03 -0.04 7.32 7.15 1fc9A1 LYS 108 H 0.14 0.07 -0.20 -0.55 8.42 7.88 1fc9A1 LYS 108 HA -0.01 0.05 0.34 -0.75 4.32 3.95 1fc9A1 LYS 108 HB2 0.07 0.03 0.16 -0.04 1.87 2.09 1fc9A1 LYS 108 HB3 0.02 0.04 -0.01 -0.04 1.79 1.80 1fc9A1 LYS 108 HG2 0.06 0.05 0.04 -0.04 1.46 1.57 1fc9A1 LYS 108 HG3 0.05 0.01 0.05 -0.04 1.46 1.53 1fc9A1 LYS 108 HD2 0.15 0.03 -0.03 -0.04 1.69 1.80 1fc9A1 LYS 108 HD3 0.18 -0.16 0.02 -0.04 1.68 1.68 1fc9A1 LYS 108 HE2 0.11 0.00 0.01 -0.04 2.99 3.07 1fc9A1 LYS 108 HE3 0.10 0.01 0.03 -0.04 2.99 3.09 1fc9A1 LEU 109 H -0.10 0.53 -0.23 -0.55 8.37 8.02 1fc9A1 LEU 109 HA -0.09 0.03 0.41 -0.75 4.35 3.94 1fc9A1 LEU 109 HB2 -0.36 0.11 0.13 -0.04 1.64 1.48 1fc9A1 LEU 109 HB3 -0.70 0.01 -0.04 -0.04 1.64 0.87 1fc9A1 LEU 109 HG -0.31 0.04 -0.00 -0.04 1.64 1.33 1fc9A1 LEU 109 HD13 0.07 -0.01 -0.00 -0.04 0.93 0.94 1fc9A1 LEU 109 HD23 0.10 0.03 -0.15 -0.04 0.89 0.84 1fc9A1 ARG 110 H -0.60 0.48 -0.15 -0.55 8.46 7.64 1fc9A1 ARG 110 HA -0.57 -0.01 0.35 -0.75 4.34 3.36 1fc9A1 ARG 110 HB2 -2.75 0.00 0.12 -0.04 1.90 -0.77 1fc9A1 ARG 110 HB3 -1.41 0.25 0.23 -0.04 1.80 0.82 1fc9A1 ARG 110 HG2 -0.90 0.01 -0.48 -0.04 1.67 0.26 1fc9A1 ARG 110 HG3 -1.11 -0.06 -0.05 -0.04 1.67 0.41 1fc9A1 ARG 110 HD2 -2.45 -0.02 -0.04 -0.04 3.22 0.67 1fc9A1 ARG 110 HD3 -2.24 0.01 0.00 -0.04 3.22 0.95 1fc9A1 GLU 111 H -0.56 0.49 -0.16 -0.55 8.60 7.83 1fc9A1 GLU 111 HA -0.32 0.05 0.52 -0.75 4.29 3.79 1fc9A1 GLU 111 HB2 -0.20 0.04 0.09 -0.04 2.09 1.98 1fc9A1 GLU 111 HB3 -0.15 -0.02 0.01 -0.04 1.99 1.79 1fc9A1 GLU 111 HG2 -0.92 0.07 0.01 -0.04 2.34 1.46 1fc9A1 GLU 111 HG3 -0.11 -0.02 -0.02 -0.04 2.34 2.15 1fc9A1 THR 112 H -0.14 0.58 -0.10 -0.55 8.28 8.08 1fc9A1 THR 112 HA -0.06 0.01 0.40 -0.75 4.39 3.98 1fc9A1 THR 112 HB 0.08 0.11 0.25 -0.04 4.32 4.72 1fc9A1 THR 112 HG23 -0.01 -0.02 -0.15 -0.04 1.22 1.00 1fc9A1 TYR 113 H 0.13 0.99 -0.01 -0.55 8.29 8.85 1fc9A1 TYR 113 HA -0.19 -0.03 0.33 -0.75 4.56 3.91 1fc9A1 TYR 113 HB2 -0.12 0.11 0.09 -0.04 3.06 3.09 1fc9A1 TYR 113 HB3 -0.52 -0.07 -0.07 -0.04 2.98 2.27 1fc9A1 TYR 113 HD2 -0.04 -0.01 0.02 -0.04 7.15 7.08 1fc9A1 TYR 113 HE2 -0.01 -0.01 -0.06 -0.04 6.85 6.73 1fc9A1 LEU 114 H -0.17 0.49 -0.34 -0.55 8.37 7.81 1fc9A1 LEU 114 HA -0.33 -0.02 0.50 -0.75 4.35 3.75 1fc9A1 LEU 114 HB2 -0.18 0.14 0.13 -0.04 1.64 1.69 1fc9A1 LEU 114 HB3 -0.15 -0.09 0.02 -0.04 1.64 1.38 1fc9A1 LEU 114 HG -0.16 0.14 0.07 -0.04 1.64 1.65 1fc9A1 LEU 114 HD13 -0.19 -0.03 -0.04 -0.04 0.93 0.63 1fc9A1 LEU 114 HD23 -0.11 -0.03 0.04 -0.04 0.89 0.74 1fc9A1 LYS 115 H -0.13 0.37 -0.28 -0.55 8.42 7.83 1fc9A1 LYS 115 HA -0.11 0.09 0.76 -0.75 4.32 4.31 1fc9A1 LYS 115 HB2 -0.09 0.06 0.13 -0.04 1.87 1.93 1fc9A1 LYS 115 HB3 -0.08 -0.07 0.01 -0.04 1.79 1.60 1fc9A1 LYS 115 HG2 -0.07 -0.06 0.01 -0.04 1.46 1.30 1fc9A1 LYS 115 HG3 -0.09 0.04 -0.03 -0.04 1.46 1.33 1fc9A1 LYS 115 HD2 -0.07 0.01 -0.06 -0.04 1.69 1.53 1fc9A1 LYS 115 HD3 -0.05 -0.05 -0.02 -0.04 1.68 1.52 1fc9A1 LYS 115 HE2 -0.05 -0.03 -0.02 -0.04 2.99 2.85 1fc9A1 LYS 115 HE3 -0.07 0.02 -0.03 -0.04 2.99 2.87 1fc9A1 LYS 116 H -0.15 0.51 0.07 -0.55 8.42 8.28 1fc9A1 LYS 116 HA -0.12 0.23 1.13 -0.75 4.32 4.81 1fc9A1 LYS 116 HB2 -0.19 0.01 0.02 -0.04 1.87 1.67 1fc9A1 LYS 116 HB3 -0.14 -0.06 0.06 -0.04 1.79 1.61 1fc9A1 LYS 116 HG2 -0.10 -0.05 -0.24 -0.04 1.46 1.03 1fc9A1 LYS 116 HG3 -0.09 -0.05 -0.03 -0.04 1.46 1.25 1fc9A1 LYS 116 HD2 -0.08 -0.04 0.00 -0.04 1.69 1.53 1fc9A1 LYS 116 HD3 -0.08 0.11 -0.07 -0.04 1.68 1.60 1fc9A1 LYS 116 HE2 -0.06 0.01 -0.06 -0.04 2.99 2.84 1fc9A1 LYS 116 HE3 -0.06 -0.02 -0.04 -0.04 2.99 2.83 1fc9A1 GLU 117 H -0.24 0.58 0.07 -0.55 8.60 8.47 1fc9A1 GLU 117 HA -0.20 0.15 0.81 -0.75 4.29 4.30 1fc9A1 GLU 117 HB2 -0.33 0.07 0.09 -0.04 2.09 1.88 1fc9A1 GLU 117 HB3 -0.23 -0.02 0.02 -0.04 1.99 1.72 1fc9A1 GLU 117 HG2 -0.52 -0.07 0.03 -0.04 2.34 1.74 1fc9A1 GLU 117 HG3 -0.75 -0.04 0.03 -0.04 2.34 1.54 1fc9A1 PRO 118 HA -0.10 0.06 0.42 -0.51 4.44 4.31 1fc9A1 PRO 118 HB2 -0.07 -0.08 0.04 -0.04 2.28 2.13 1fc9A1 PRO 118 HB3 -0.07 -0.01 0.08 -0.04 2.02 1.98 1fc9A1 PRO 118 HG2 -0.07 -0.00 0.10 -0.04 2.03 2.01 1fc9A1 PRO 118 HG3 -0.08 0.09 0.08 -0.04 2.03 2.08 1fc9A1 PRO 118 HD2 -0.12 0.05 0.24 -0.04 3.68 3.80 1fc9A1 PRO 118 HD3 -0.13 0.42 0.32 -0.04 3.65 4.22 1fc9A1 MET 119 H -0.10 0.18 0.04 -0.55 8.47 8.05 1fc9A1 MET 119 HA -0.09 0.09 0.58 -0.75 4.52 4.34 1fc9A1 MET 119 HB2 -0.12 0.01 0.05 -0.04 2.15 2.05 1fc9A1 MET 119 HB3 -0.09 -0.14 0.02 -0.04 2.03 1.77 1fc9A1 MET 119 HG2 -0.19 0.06 -0.27 -0.04 2.63 2.19 1fc9A1 MET 119 HG3 -0.22 0.38 -0.62 -0.04 2.56 2.06 1fc9A1 MET 119 HE3 -1.07 0.07 -0.13 -0.04 2.10 0.93 1fc9A1 ASP 120 H -0.06 0.15 0.02 -0.55 8.40 7.97 1fc9A1 ASP 120 HA -0.05 0.46 1.62 -0.75 4.63 5.90 1fc9A1 ASP 120 HB2 -0.04 0.02 0.19 -0.04 2.71 2.84 1fc9A1 ASP 120 HB3 -0.05 0.06 0.03 -0.04 2.70 2.70 1fc9A1 ARG 121 H -0.06 0.13 -0.06 -0.55 8.46 7.91 1fc9A1 ARG 121 HA -0.06 0.15 0.67 -0.75 4.34 4.35 1fc9A1 ARG 121 HB2 -0.04 0.14 -0.16 -0.04 1.90 1.79 1fc9A1 ARG 121 HB3 -0.05 -0.05 0.07 -0.04 1.80 1.73 1fc9A1 ARG 121 HG2 -0.05 -0.12 -0.00 -0.04 1.67 1.45 1fc9A1 ARG 121 HG3 -0.05 0.04 0.09 -0.04 1.67 1.71 1fc9A1 ARG 121 HD2 -0.03 0.02 -0.01 -0.04 3.22 3.16 1fc9A1 ARG 121 HD3 -0.03 0.06 0.01 -0.04 3.22 3.22 1fc9A1 ARG 122 H -0.10 0.27 0.14 -0.55 8.46 8.22 1fc9A1 ARG 122 HA -0.22 0.08 0.40 -0.75 4.34 3.85 1fc9A1 ARG 122 HB2 -0.14 0.08 0.15 -0.04 1.90 1.94 1fc9A1 ARG 122 HB3 -0.22 0.02 0.11 -0.04 1.80 1.67 1fc9A1 ARG 122 HG2 -0.32 0.07 -0.01 -0.04 1.67 1.37 1fc9A1 ARG 122 HG3 -1.22 -0.04 -0.15 -0.04 1.67 0.22 1fc9A1 ARG 122 HD2 -0.21 -0.02 0.03 -0.04 3.22 2.98 1fc9A1 ARG 122 HD3 -0.14 -0.03 0.06 -0.04 3.22 3.07 1fc9A1 ALA 123 H -0.15 0.12 -0.16 -0.55 8.40 7.67 1fc9A1 ALA 123 HA -0.15 0.07 0.34 -0.75 4.34 3.85 1fc9A1 ALA 123 HB3 -0.01 0.03 0.05 -0.04 1.41 1.44 1fc9A1 GLN 124 H -0.09 0.20 -0.41 -0.55 8.47 7.63 1fc9A1 GLN 124 HA -0.02 0.12 0.60 -0.75 4.36 4.32 1fc9A1 GLN 124 HB2 -0.06 0.15 -0.18 -0.04 2.15 2.01 1fc9A1 GLN 124 HB3 -0.04 0.08 0.02 -0.04 2.02 2.04 1fc9A1 GLN 124 HG2 -0.04 -0.00 -0.02 -0.04 2.40 2.30 1fc9A1 GLN 124 HG3 -0.06 -0.06 0.14 -0.04 2.39 2.37 1fc9A1 GLN 124 HE21 -0.04 0.07 -0.01 -0.04 6.97 6.95 1fc9A1 GLN 124 HE22 -0.03 0.04 -0.02 -0.04 7.69 7.63 1fc9A1 THR 125 H -0.10 0.39 0.01 -0.55 8.28 8.02 1fc9A1 THR 125 HA -0.02 0.14 0.51 -0.75 4.39 4.27 1fc9A1 THR 125 HB -0.07 0.04 0.13 -0.04 4.32 4.38 1fc9A1 THR 125 HG23 0.11 0.01 0.00 -0.04 1.22 1.30 1fc9A1 TYR 126 H -0.06 0.48 -0.25 -0.55 8.29 7.90 1fc9A1 TYR 126 HA -0.29 -0.03 0.26 -0.75 4.56 3.75 1fc9A1 TYR 126 HB2 0.07 0.19 0.15 -0.04 3.06 3.43 1fc9A1 TYR 126 HB3 0.17 -0.03 -0.01 -0.04 2.98 3.08 1fc9A1 TYR 126 HD2 0.03 -0.01 -0.06 -0.04 7.15 7.07 1fc9A1 TYR 126 HE2 0.15 -0.02 -0.03 -0.04 6.85 6.91 1fc9A1 ASP 127 H 0.10 0.38 -0.09 -0.55 8.40 8.24 1fc9A1 ASP 127 HA 0.09 -0.00 0.44 -0.75 4.63 4.40 1fc9A1 ASP 127 HB2 0.02 0.17 0.18 -0.04 2.71 3.04 1fc9A1 ASP 127 HB3 0.03 -0.01 -0.01 -0.04 2.70 2.67 1fc9A1 ALA 128 H 0.04 0.53 -0.27 -0.55 8.40 8.16 1fc9A1 ALA 128 HA 0.09 0.03 0.46 -0.75 4.34 4.17 1fc9A1 ALA 128 HB3 0.00 0.07 0.10 -0.04 1.41 1.53 1fc9A1 ILE 129 H 0.07 0.52 -0.05 -0.55 8.25 8.24 1fc9A1 ILE 129 HA 0.07 0.05 0.48 -0.75 4.18 4.02 1fc9A1 ILE 129 HB -0.55 0.07 0.15 -0.04 1.89 1.51 1fc9A1 ILE 129 HG12 -0.16 0.02 0.05 -0.04 1.49 1.36 1fc9A1 ILE 129 HG13 0.19 0.09 0.04 -0.04 1.21 1.49 1fc9A1 ILE 129 HG23 -0.31 -0.02 -0.13 -0.04 0.93 0.43 1fc9A1 ILE 129 HD13 -0.18 -0.03 -0.14 -0.04 0.88 0.48 1fc9A1 ARG 130 H -0.02 0.59 -0.09 -0.55 8.46 8.40 1fc9A1 ARG 130 HA 0.11 -0.05 0.41 -0.75 4.34 4.05 1fc9A1 ARG 130 HB2 0.10 0.12 0.20 -0.04 1.90 2.27 1fc9A1 ARG 130 HB3 0.11 -0.00 0.06 -0.04 1.80 1.92 1fc9A1 ARG 130 HG2 0.24 -0.12 0.09 -0.04 1.67 1.85 1fc9A1 ARG 130 HG3 0.18 0.10 0.07 -0.04 1.67 1.98 1fc9A1 ARG 130 HD2 0.13 0.03 0.04 -0.04 3.22 3.37 1fc9A1 ARG 130 HD3 0.19 -0.04 0.03 -0.04 3.22 3.37 1fc9A1 LYS 131 H 0.12 0.60 -0.18 -0.55 8.42 8.41 1fc9A1 LYS 131 HA 0.12 -0.01 0.35 -0.75 4.32 4.03 1fc9A1 LYS 131 HB2 0.09 0.10 0.17 -0.04 1.87 2.18 1fc9A1 LYS 131 HB3 0.27 0.09 0.15 -0.04 1.79 2.26 1fc9A1 LYS 131 HG2 0.19 -0.00 -0.10 -0.04 1.46 1.51 1fc9A1 LYS 131 HG3 0.07 -0.03 0.05 -0.04 1.46 1.51 1fc9A1 LYS 131 HD2 -0.05 -0.02 -0.00 -0.04 1.69 1.57 1fc9A1 LYS 131 HD3 -0.19 0.00 -0.01 -0.04 1.68 1.44 1fc9A1 LYS 131 HE2 -0.19 -0.00 -0.04 -0.04 2.99 2.72 1fc9A1 LYS 131 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1fc9A1 LEU 132 H 0.23 0.51 -0.30 -0.55 8.37 8.26 1fc9A1 LEU 132 HA -0.12 -0.01 0.41 -0.75 4.35 3.88 1fc9A1 LEU 132 HB2 -0.07 0.02 0.10 -0.04 1.64 1.65 1fc9A1 LEU 132 HB3 0.01 0.09 0.24 -0.04 1.64 1.94 1fc9A1 LEU 132 HG -0.19 0.00 -0.25 -0.04 1.64 1.17 1fc9A1 LEU 132 HD13 -1.11 -0.01 -0.04 -0.04 0.93 -0.28 1fc9A1 LEU 132 HD23 -0.33 -0.02 -0.05 -0.04 0.89 0.45 1fc9A1 LEU 133 H 0.11 0.75 0.04 -0.55 8.37 8.72 1fc9A1 LEU 133 HA 0.21 -0.03 0.30 -0.75 4.35 4.07 1fc9A1 LEU 133 HB2 0.11 0.05 0.08 -0.04 1.64 1.84 1fc9A1 LEU 133 HB3 0.09 -0.00 -0.04 -0.04 1.64 1.64 1fc9A1 LEU 133 HG 0.09 0.28 -0.02 -0.04 1.64 1.96 1fc9A1 LEU 133 HD13 0.17 -0.05 -0.22 -0.04 0.93 0.80 1fc9A1 LEU 133 HD23 0.12 -0.02 -0.08 -0.04 0.89 0.87 1fc9A1 ALA 134 H 0.11 0.47 -0.35 -0.55 8.40 8.08 1fc9A1 ALA 134 HA 0.07 -0.00 0.41 -0.75 4.34 4.06 1fc9A1 ALA 134 HB3 0.08 0.02 0.10 -0.04 1.41 1.57 1fc9A1 VAL 135 H 0.14 0.51 -0.20 -0.55 8.24 8.14 1fc9A1 VAL 135 HA 0.10 0.04 0.41 -0.75 4.13 3.93 1fc9A1 VAL 135 HB 0.14 -0.04 0.13 -0.04 2.12 2.31 1fc9A1 VAL 135 HG13 0.14 0.04 0.10 -0.04 0.97 1.20 1fc9A1 VAL 135 HG23 0.28 0.04 -0.10 -0.04 0.95 1.13 1fc9A1 LEU 136 H 0.09 0.49 -0.34 -0.55 8.37 8.07 1fc9A1 LEU 136 HA 0.04 0.13 0.37 -0.75 4.35 4.14 1fc9A1 LEU 136 HB2 -0.10 0.06 0.09 -0.04 1.64 1.65 1fc9A1 LEU 136 HB3 -0.20 -0.12 0.03 -0.04 1.64 1.31 1fc9A1 LEU 136 HG 0.00 0.07 0.02 -0.04 1.64 1.70 1fc9A1 LEU 136 HD13 -0.79 -0.02 0.04 -0.04 0.93 0.12 1fc9A1 LEU 136 HD23 -0.57 0.00 -0.06 -0.04 0.89 0.22 1fc9A1 ASP 137 H 0.04 0.41 -0.30 -0.55 8.40 8.01 1fc9A1 ASP 137 HA 0.01 0.04 0.30 -0.75 4.63 4.23 1fc9A1 ASP 137 HB2 0.04 0.21 -0.44 -0.04 2.71 2.48 1fc9A1 ASP 137 HB3 0.02 -0.09 0.23 -0.04 2.70 2.82 1fc9A1 ASP 138 H 0.01 0.18 -0.21 -0.55 8.40 7.83 1fc9A1 ASP 138 HA 0.01 0.23 0.93 -0.75 4.63 5.04 1fc9A1 ASP 138 HB2 0.16 0.12 -0.02 -0.04 2.71 2.93 1fc9A1 ASP 138 HB3 0.11 0.02 0.10 -0.04 2.70 2.89 1fc9A1 PRO 139 HA -0.22 0.17 0.38 -0.51 4.44 4.26 1fc9A1 PRO 139 HB2 -2.34 -0.03 -0.11 -0.04 2.28 -0.24 1fc9A1 PRO 139 HB3 -0.76 0.08 0.03 -0.04 2.02 1.33 1fc9A1 PRO 139 HG2 -0.89 -0.06 0.05 -0.04 2.03 1.09 1fc9A1 PRO 139 HG3 -0.61 0.13 0.07 -0.04 2.03 1.58 1fc9A1 PRO 139 HD2 -0.12 0.07 0.28 -0.04 3.68 3.87 1fc9A1 PRO 139 HD3 -0.19 0.31 0.01 -0.04 3.65 3.75 1fc9A1 PHE 140 H 0.04 0.06 -0.41 -0.55 8.34 7.48 1fc9A1 PHE 140 HA 0.21 0.10 0.49 -0.75 4.62 4.66 1fc9A1 PHE 140 HB2 0.06 -0.02 -0.10 -0.04 3.15 3.05 1fc9A1 PHE 140 HB3 0.09 -0.03 -0.04 -0.04 3.06 3.04 1fc9A1 PHE 140 HD2 0.07 0.01 -0.01 -0.04 7.28 7.31 1fc9A1 PHE 140 HE2 0.07 0.03 0.02 -0.04 7.38 7.45 1fc9A1 PHE 140 HZ 0.15 0.01 0.04 -0.04 7.32 7.48 1fc9A1 THR 141 H 0.12 0.42 -0.35 -0.55 8.28 7.92 1fc9A1 THR 141 HA 0.15 0.28 0.91 -0.75 4.39 4.98 1fc9A1 THR 141 HB 0.06 0.09 0.20 -0.04 4.32 4.63 1fc9A1 THR 141 HG23 0.02 0.05 -0.03 -0.04 1.22 1.22 1fc9A1 ARG 142 H 0.13 0.49 0.34 -0.55 8.46 8.86 1fc9A1 ARG 142 HA 0.12 0.16 0.78 -0.75 4.34 4.65 1fc9A1 ARG 142 HB2 0.12 -0.07 -0.17 -0.04 1.90 1.73 1fc9A1 ARG 142 HB3 0.09 -0.01 -0.04 -0.04 1.80 1.80 1fc9A1 ARG 142 HG2 0.18 0.01 -0.91 -0.04 1.67 0.92 1fc9A1 ARG 142 HG3 0.29 -0.15 -0.15 -0.04 1.67 1.62 1fc9A1 ARG 142 HD2 0.14 -0.13 0.00 -0.04 3.22 3.18 1fc9A1 ARG 142 HD3 0.11 0.11 0.01 -0.04 3.22 3.41 1fc9A1 PHE 143 H 0.19 0.19 0.20 -0.55 8.34 8.37 1fc9A1 PHE 143 HA -0.04 0.20 0.83 -0.75 4.62 4.85 1fc9A1 PHE 143 HB2 0.01 0.03 -0.06 -0.04 3.15 3.09 1fc9A1 PHE 143 HB3 -0.01 -0.01 0.11 -0.04 3.06 3.10 1fc9A1 PHE 143 HD2 -0.08 0.03 -0.09 -0.04 7.28 7.10 1fc9A1 PHE 143 HE2 -0.52 -0.06 -0.12 -0.04 7.38 6.64 1fc9A1 PHE 143 HZ -0.68 -0.07 -0.10 -0.04 7.32 6.43 1fc9A1 LEU 144 H -0.88 0.96 0.44 -0.55 8.37 8.34 1fc9A1 LEU 144 HA -0.53 0.23 1.30 -0.75 4.35 4.60 1fc9A1 LEU 144 HB2 -0.38 -0.04 0.05 -0.04 1.64 1.23 1fc9A1 LEU 144 HB3 -0.38 -0.01 -0.12 -0.04 1.64 1.09 1fc9A1 LEU 144 HG -0.35 -0.03 -0.55 -0.04 1.64 0.66 1fc9A1 LEU 144 HD13 -0.26 0.00 -0.18 -0.04 0.93 0.45 1fc9A1 LEU 144 HD23 -0.75 0.01 -0.13 -0.04 0.89 -0.02 1fc9A1 GLU 145 H -0.45 0.16 0.14 -0.55 8.60 7.91 1fc9A1 GLU 145 HA -0.58 0.13 0.47 -0.75 4.29 3.56 1fc9A1 GLU 145 HB2 -0.14 -0.06 0.14 -0.04 2.09 1.99 1fc9A1 GLU 145 HB3 -0.08 0.02 0.11 -0.04 1.99 2.01 1fc9A1 GLU 145 HG2 -0.34 0.01 -0.01 -0.04 2.34 1.96 1fc9A1 GLU 145 HG3 -0.13 0.06 0.07 -0.04 2.34 2.30 1fc9A1 PRO 146 HA -0.08 0.29 0.36 -0.51 4.44 4.50 1fc9A1 PRO 146 HB2 0.03 0.01 0.01 -0.04 2.28 2.30 1fc9A1 PRO 146 HB3 0.02 0.17 -0.09 -0.04 2.02 2.07 1fc9A1 PRO 146 HG2 0.16 0.05 0.03 -0.04 2.03 2.23 1fc9A1 PRO 146 HG3 0.10 0.00 -0.23 -0.04 2.03 1.87 1fc9A1 PRO 146 HD2 0.08 0.07 0.18 -0.04 3.68 3.97 1fc9A1 PRO 146 HD3 -0.13 0.09 0.17 -0.04 3.65 3.73 1fc9A1 SER 147 H -0.03 0.06 -0.26 -0.55 8.46 7.68 1fc9A1 SER 147 HA -0.02 0.17 0.56 -0.75 4.49 4.44 1fc9A1 SER 147 HB2 0.00 -0.03 0.07 -0.04 3.95 3.94 1fc9A1 SER 147 HB3 -0.00 0.07 -0.01 -0.04 3.93 3.95 1fc9A1 ARG 148 H -0.09 0.06 -0.12 -0.55 8.46 7.76 1fc9A1 ARG 148 HA -0.05 0.13 0.46 -0.75 4.34 4.12 1fc9A1 ARG 148 HB2 -0.19 0.01 0.01 -0.04 1.90 1.70 1fc9A1 ARG 148 HB3 -0.13 0.05 -0.02 -0.04 1.80 1.66 1fc9A1 ARG 148 HG2 -0.07 -0.12 0.05 -0.04 1.67 1.49 1fc9A1 ARG 148 HG3 -0.09 -0.01 0.04 -0.04 1.67 1.57 1fc9A1 ARG 148 HD2 -0.02 0.03 -0.02 -0.04 3.22 3.17 1fc9A1 ARG 148 HD3 -0.03 0.05 -0.02 -0.04 3.22 3.18 1fc9A1 LEU 149 H -0.14 0.62 -0.25 -0.55 8.37 8.05 1fc9A1 LEU 149 HA -0.14 0.02 0.43 -0.75 4.35 3.91 1fc9A1 LEU 149 HB2 -0.19 -0.05 -0.07 -0.04 1.64 1.29 1fc9A1 LEU 149 HB3 -0.11 0.17 0.06 -0.04 1.64 1.72 1fc9A1 LEU 149 HG -0.06 0.02 -0.26 -0.04 1.64 1.30 1fc9A1 LEU 149 HD13 -0.08 -0.03 -0.07 -0.04 0.93 0.71 1fc9A1 LEU 149 HD23 -0.08 0.06 -0.23 -0.04 0.89 0.60 1fc9A1 ALA 150 H -0.05 0.46 -0.20 -0.55 8.40 8.07 1fc9A1 ALA 150 HA -0.02 0.02 0.37 -0.75 4.34 3.96 1fc9A1 ALA 150 HB3 -0.01 0.02 0.12 -0.04 1.41 1.50 1fc9A1 ALA 151 H -0.03 0.60 -0.17 -0.55 8.40 8.26 1fc9A1 ALA 151 HA -0.00 0.03 0.44 -0.75 4.34 4.05 1fc9A1 ALA 151 HB3 -0.01 -0.01 0.09 -0.04 1.41 1.44 1fc9A1 LEU 152 H -0.03 0.58 -0.33 -0.55 8.37 8.04 1fc9A1 LEU 152 HA 0.03 -0.04 0.27 -0.75 4.35 3.86 1fc9A1 LEU 152 HB2 -0.03 0.25 0.24 -0.04 1.64 2.05 1fc9A1 LEU 152 HB3 0.02 -0.04 -0.09 -0.04 1.64 1.49 1fc9A1 LEU 152 HG 0.13 -0.05 0.01 -0.04 1.64 1.69 1fc9A1 LEU 152 HD13 -0.07 -0.01 -0.05 -0.04 0.93 0.77 1fc9A1 LEU 152 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.73 1fc9A1 ARG 153 H -0.01 0.47 -0.28 -0.55 8.46 8.08 1fc9A1 ARG 153 HA 0.01 -0.04 0.32 -0.75 4.34 3.88 1fc9A1 ARG 153 HB2 -0.01 0.08 0.20 -0.04 1.90 2.13 1fc9A1 ARG 153 HB3 0.00 -0.07 0.02 -0.04 1.80 1.71 1fc9A1 ARG 153 HG2 -0.00 -0.10 -0.01 -0.04 1.67 1.51 1fc9A1 ARG 153 HG3 -0.02 0.56 0.07 -0.04 1.67 2.24 1fc9A1 ARG 153 HD2 -0.01 -0.02 -0.10 -0.04 3.22 3.04 1fc9A1 ARG 153 HD3 -0.00 -0.02 -0.03 -0.04 3.22 3.12 1fc9A1 ARG 154 H 0.00 0.73 0.11 -0.55 8.46 8.75 1fc9A1 ARG 154 HA 0.01 -0.05 0.32 -0.75 4.34 3.86 1fc9A1 ARG 154 HB2 0.00 0.03 0.08 -0.04 1.90 1.98 1fc9A1 ARG 154 HB3 0.00 0.00 -0.05 -0.04 1.80 1.72 1fc9A1 ARG 154 HG2 0.00 -0.03 0.03 -0.04 1.67 1.63 1fc9A1 ARG 154 HG3 0.00 -0.02 0.02 -0.04 1.67 1.64 1fc9A1 ARG 154 HD2 0.00 0.01 -0.04 -0.04 3.22 3.15 1fc9A1 ARG 154 HD3 0.00 -0.05 -0.03 -0.04 3.22 3.11 1fc9A1 GLY 155 H 0.01 0.24 -0.89 -0.55 8.43 7.24 1fc9A1 GLY 155 HA2 0.02 0.01 0.25 -0.51 4.01 3.77 1fc9A1 GLY 155 HA3 0.02 -0.08 0.33 -0.51 4.01 3.77 1fc9A1 THR 156 H 0.01 0.08 0.15 -0.55 8.28 7.97 1fc9A1 THR 156 HA 0.01 -0.07 0.52 -0.75 4.39 4.09 1fc9A1 THR 156 HB 0.01 -0.04 0.12 -0.04 4.32 4.37 1fc9A1 THR 156 HG23 0.01 0.01 0.15 -0.04 1.22 1.35 1fc9A1 ALA 157 H 0.01 0.21 0.28 -0.55 8.40 8.35 1fc9A1 ALA 157 HA 0.00 -0.05 0.39 -0.75 4.34 3.94 1fc9A1 ALA 157 HB3 0.00 0.07 0.16 -0.04 1.41 1.60 1fc9A1 GLY 158 H 0.00 0.20 0.23 -0.55 8.43 8.32 1fc9A1 GLY 158 HA2 0.00 0.05 0.28 -0.51 4.01 3.83 1fc9A1 GLY 158 HA3 0.00 0.12 0.89 -0.51 4.01 4.51 1fc9A1 SER 159 H 0.00 0.17 0.19 -0.55 8.46 8.27 1fc9A1 SER 159 HA 0.00 0.15 0.65 -0.75 4.49 4.54 1fc9A1 SER 159 HB2 0.00 0.03 0.17 -0.04 3.95 4.11 1fc9A1 SER 159 HB3 0.00 -0.01 0.11 -0.04 3.93 3.99 1fc9A1 VAL 160 H 0.00 -0.02 -0.02 -0.55 8.24 7.65 1fc9A1 VAL 160 HA 0.00 0.11 0.52 -0.75 4.13 4.01 1fc9A1 VAL 160 HB 0.01 0.07 0.03 -0.04 2.12 2.19 1fc9A1 VAL 160 HG13 0.01 0.00 -0.21 -0.04 0.97 0.72 1fc9A1 VAL 160 HG23 0.01 -0.02 0.01 -0.04 0.95 0.90 1fc9A1 THR 161 H 0.00 0.53 0.27 -0.55 8.28 8.53 1fc9A1 THR 161 HA 0.00 0.02 0.57 -0.75 4.39 4.22 1fc9A1 THR 161 HB 0.00 -0.04 -0.24 -0.04 4.32 4.00 1fc9A1 THR 161 HG23 0.00 0.05 -0.01 -0.04 1.22 1.23 1fc9A1 GLY 162 H -0.00 0.10 -0.01 -0.55 8.43 7.96 1fc9A1 GLY 162 HA2 -0.00 0.43 0.75 -0.51 4.01 4.68 1fc9A1 GLY 162 HA3 -0.01 -0.06 0.32 -0.51 4.01 3.75 1fc9A1 VAL 163 H -0.01 0.13 0.08 -0.55 8.24 7.89 1fc9A1 VAL 163 HA -0.00 0.31 0.98 -0.75 4.13 4.66 1fc9A1 VAL 163 HB -0.00 -0.09 0.11 -0.04 2.12 2.10 1fc9A1 VAL 163 HG13 -0.00 0.07 -0.31 -0.04 0.97 0.68 1fc9A1 VAL 163 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 1fc9A1 GLY 164 H -0.01 0.12 -0.04 -0.55 8.43 7.96 1fc9A1 GLY 164 HA2 -0.01 0.08 0.32 -0.51 4.01 3.89 1fc9A1 GLY 164 HA3 -0.01 0.04 0.46 -0.51 4.01 4.00 1fc9A1 LEU 165 H -0.01 0.08 -0.04 -0.55 8.37 7.85 1fc9A1 LEU 165 HA -0.01 0.37 1.15 -0.75 4.35 5.10 1fc9A1 LEU 165 HB2 -0.02 -0.09 -0.07 -0.04 1.64 1.42 1fc9A1 LEU 165 HB3 -0.03 0.02 -0.27 -0.04 1.64 1.33 1fc9A1 LEU 165 HG -0.01 0.02 -0.32 -0.04 1.64 1.29 1fc9A1 LEU 165 HD13 -0.01 0.00 -0.17 -0.04 0.93 0.70 1fc9A1 LEU 165 HD23 -0.01 0.02 -0.17 -0.04 0.89 0.70 1fc9A1 GLU 166 H -0.02 0.87 0.36 -0.55 8.60 9.27 1fc9A1 GLU 166 HA -0.05 0.15 0.83 -0.75 4.29 4.47 1fc9A1 GLU 166 HB2 -0.03 0.02 0.03 -0.04 2.09 2.07 1fc9A1 GLU 166 HB3 -0.05 -0.11 0.16 -0.04 1.99 1.95 1fc9A1 GLU 166 HG2 -0.07 0.10 0.04 -0.04 2.34 2.37 1fc9A1 GLU 166 HG3 -0.04 0.03 0.08 -0.04 2.34 2.36 1fc9A1 ILE 167 H -0.09 0.21 0.17 -0.55 8.25 7.99 1fc9A1 ILE 167 HA -0.08 0.10 1.13 -0.75 4.18 4.59 1fc9A1 ILE 167 HB -0.16 0.11 0.04 -0.04 1.89 1.84 1fc9A1 ILE 167 HG12 -0.12 -0.05 0.01 -0.04 1.49 1.29 1fc9A1 ILE 167 HG13 -0.19 -0.02 -0.21 -0.04 1.21 0.75 1fc9A1 ILE 167 HG23 -0.07 -0.00 -0.35 -0.04 0.93 0.46 1fc9A1 ILE 167 HD13 -0.16 0.03 -0.09 -0.04 0.88 0.62 1fc9A1 THR 168 H -0.12 0.66 0.28 -0.55 8.28 8.55 1fc9A1 THR 168 HA -0.21 0.05 0.53 -0.75 4.39 4.01 1fc9A1 THR 168 HB -0.12 0.00 -0.30 -0.04 4.32 3.86 1fc9A1 THR 168 HG23 -0.06 0.07 -0.25 -0.04 1.22 0.94 1fc9A1 TYR 169 H 0.09 0.08 0.16 -0.55 8.29 8.07 1fc9A1 TYR 169 HA -0.04 0.40 1.07 -0.75 4.56 5.23 1fc9A1 TYR 169 HB2 -0.23 -0.10 0.06 -0.04 3.06 2.75 1fc9A1 TYR 169 HB3 -0.12 0.18 0.17 -0.04 2.98 3.18 1fc9A1 TYR 169 HD2 -1.05 0.03 -0.11 -0.04 7.15 5.97 1fc9A1 TYR 169 HE2 -0.34 0.05 -0.21 -0.04 6.85 6.31 1fc9A1 ASP 170 H 0.14 0.37 0.17 -0.55 8.40 8.54 1fc9A1 ASP 170 HA 0.13 0.06 0.35 -0.75 4.63 4.43 1fc9A1 ASP 170 HB2 0.04 0.09 -0.19 -0.04 2.71 2.61 1fc9A1 ASP 170 HB3 0.05 -0.02 -0.04 -0.04 2.70 2.65 1fc9A1 GLY 171 H 0.07 0.20 0.09 -0.55 8.43 8.24 1fc9A1 GLY 171 HA2 0.12 -0.03 0.28 -0.51 4.01 3.87 1fc9A1 GLY 171 HA3 0.06 0.12 0.44 -0.51 4.01 4.13 1fc9A1 GLY 172 H 0.07 0.61 0.39 -0.55 8.43 8.97 1fc9A1 GLY 172 HA2 0.04 -0.04 0.38 -0.51 4.01 3.88 1fc9A1 GLY 172 HA3 0.03 0.12 0.59 -0.51 4.01 4.24 1fc9A1 SER 173 H 0.04 0.12 0.15 -0.55 8.46 8.22 1fc9A1 SER 173 HA 0.03 0.08 1.11 -0.75 4.49 4.96 1fc9A1 SER 173 HB2 0.02 -0.05 0.17 -0.04 3.95 4.05 1fc9A1 SER 173 HB3 -0.02 0.06 0.12 -0.04 3.93 4.05 1fc9A1 GLY 174 H 0.03 0.27 0.26 -0.55 8.43 8.44 1fc9A1 GLY 174 HA2 0.02 0.13 0.53 -0.51 4.01 4.18 1fc9A1 GLY 174 HA3 0.02 -0.01 0.37 -0.51 4.01 3.88 1fc9A1 LYS 175 H 0.03 -0.04 -0.07 -0.55 8.42 7.79 1fc9A1 LYS 175 HA -0.01 0.18 0.29 -0.75 4.32 4.02 1fc9A1 LYS 175 HB2 0.03 -0.25 0.13 -0.04 1.87 1.74 1fc9A1 LYS 175 HB3 0.02 -0.04 0.03 -0.04 1.79 1.76 1fc9A1 LYS 175 HG2 0.02 -0.01 -0.00 -0.04 1.46 1.42 1fc9A1 LYS 175 HG3 0.01 0.50 0.36 -0.04 1.46 2.29 1fc9A1 LYS 175 HD2 0.03 -0.18 -0.41 -0.04 1.69 1.09 1fc9A1 LYS 175 HD3 0.03 -0.05 -0.08 -0.04 1.68 1.54 1fc9A1 LYS 175 HE2 0.02 -0.05 -0.03 -0.04 2.99 2.89 1fc9A1 LYS 175 HE3 0.02 0.12 0.02 -0.04 2.99 3.11 1fc9A1 ASP 176 H 0.05 0.13 0.12 -0.55 8.40 8.16 1fc9A1 ASP 176 HA 0.07 -0.07 0.55 -0.75 4.63 4.43 1fc9A1 ASP 176 HB2 0.05 -0.03 -0.08 -0.04 2.71 2.60 1fc9A1 ASP 176 HB3 0.02 0.13 -0.15 -0.04 2.70 2.65 1fc9A1 VAL 177 H 0.04 0.18 0.16 -0.55 8.24 8.07 1fc9A1 VAL 177 HA -0.08 0.26 0.94 -0.75 4.13 4.51 1fc9A1 VAL 177 HB -0.03 -0.00 0.06 -0.04 2.12 2.11 1fc9A1 VAL 177 HG13 -0.16 0.01 -0.16 -0.04 0.97 0.61 1fc9A1 VAL 177 HG23 -0.05 -0.03 -0.12 -0.04 0.95 0.70 1fc9A1 VAL 178 H -0.05 0.79 0.33 -0.55 8.24 8.77 1fc9A1 VAL 178 HA -0.02 0.16 1.12 -0.75 4.13 4.63 1fc9A1 VAL 178 HB 0.05 0.09 -0.30 -0.04 2.12 1.93 1fc9A1 VAL 178 HG13 0.02 -0.03 -0.43 -0.04 0.97 0.49 1fc9A1 VAL 178 HG23 0.20 0.01 -0.54 -0.04 0.95 0.58 1fc9A1 VAL 179 H 0.02 0.67 0.12 -0.55 8.24 8.50 1fc9A1 VAL 179 HA -0.00 0.07 0.49 -0.75 4.13 3.93 1fc9A1 VAL 179 HB 0.05 -0.02 0.09 -0.04 2.12 2.19 1fc9A1 VAL 179 HG13 0.03 -0.01 -0.57 -0.04 0.97 0.39 1fc9A1 VAL 179 HG23 -0.00 0.04 -0.13 -0.04 0.95 0.81 1fc9A1 LEU 180 H -0.03 0.74 0.43 -0.55 8.37 8.97 1fc9A1 LEU 180 HA -0.15 0.12 0.65 -0.75 4.35 4.23 1fc9A1 LEU 180 HB2 -0.14 -0.10 -0.37 -0.04 1.64 0.99 1fc9A1 LEU 180 HB3 -0.10 -0.11 -0.17 -0.04 1.64 1.22 1fc9A1 LEU 180 HG -0.33 -0.01 -0.18 -0.04 1.64 1.08 1fc9A1 LEU 180 HD13 -0.12 0.02 -0.07 -0.04 0.93 0.71 1fc9A1 LEU 180 HD23 -0.65 0.01 -0.06 -0.04 0.89 0.14 1fc9A1 THR 181 H -0.03 0.39 0.22 -0.55 8.28 8.31 1fc9A1 THR 181 HA 0.02 0.29 0.89 -0.75 4.39 4.83 1fc9A1 THR 181 HB -0.02 -0.16 0.00 -0.04 4.32 4.10 1fc9A1 THR 181 HG23 0.00 0.02 -0.35 -0.04 1.22 0.85 1fc9A1 PRO 182 HA 0.00 0.26 0.77 -0.51 4.44 4.96 1fc9A1 PRO 182 HB2 0.01 0.03 0.04 -0.04 2.28 2.32 1fc9A1 PRO 182 HB3 0.01 0.04 -0.12 -0.04 2.02 1.91 1fc9A1 PRO 182 HG2 0.02 0.03 0.09 -0.04 2.03 2.14 1fc9A1 PRO 182 HG3 0.03 -0.01 -0.26 -0.04 2.03 1.75 1fc9A1 PRO 182 HD2 0.03 0.14 0.17 -0.04 3.68 3.98 1fc9A1 PRO 182 HD3 0.04 0.09 -0.27 -0.04 3.65 3.47 1fc9A1 ALA 183 H -0.00 0.65 0.16 -0.55 8.40 8.66 1fc9A1 ALA 183 HA -0.00 0.12 0.43 -0.75 4.34 4.13 1fc9A1 ALA 183 HB3 -0.01 -0.03 0.02 -0.04 1.41 1.35 1fc9A1 PRO 184 HA 0.00 -0.04 0.58 -0.51 4.44 4.47 1fc9A1 PRO 184 HB2 -0.00 -0.02 0.10 -0.04 2.28 2.32 1fc9A1 PRO 184 HB3 0.00 0.01 0.11 -0.04 2.02 2.10 1fc9A1 PRO 184 HG2 -0.00 0.02 0.10 -0.04 2.03 2.10 1fc9A1 PRO 184 HG3 0.00 0.09 0.08 -0.04 2.03 2.16 1fc9A1 PRO 184 HD2 -0.01 0.01 0.21 -0.04 3.68 3.86 1fc9A1 PRO 184 HD3 0.00 0.47 0.25 -0.04 3.65 4.33 1fc9A1 GLY 185 H 0.00 0.13 0.18 -0.55 8.43 8.19 1fc9A1 GLY 185 HA2 -0.00 0.01 0.30 -0.51 4.01 3.81 1fc9A1 GLY 185 HA3 -0.00 0.03 0.32 -0.51 4.01 3.85 1fc9A1 GLY 186 H -0.00 0.50 -0.14 -0.55 8.43 8.24 1fc9A1 GLY 186 HA2 -0.00 0.23 0.69 -0.51 4.01 4.41 1fc9A1 GLY 186 HA3 -0.00 -0.04 0.25 -0.51 4.01 3.70 1fc9A1 PRO 187 HA -0.00 0.09 0.38 -0.51 4.44 4.40 1fc9A1 PRO 187 HB2 -0.00 0.00 0.13 -0.04 2.28 2.37 1fc9A1 PRO 187 HB3 -0.00 0.00 0.14 -0.04 2.02 2.12 1fc9A1 PRO 187 HG2 -0.00 0.02 0.18 -0.04 2.03 2.18 1fc9A1 PRO 187 HG3 -0.00 0.13 0.16 -0.04 2.03 2.27 1fc9A1 PRO 187 HD2 -0.00 -0.00 -0.01 -0.04 3.68 3.62 1fc9A1 PRO 187 HD3 -0.00 0.23 0.18 -0.04 3.65 4.01 1fc9A1 ALA 188 H -0.00 0.66 0.04 -0.55 8.40 8.55 1fc9A1 ALA 188 HA -0.00 0.01 0.33 -0.75 4.34 3.93 1fc9A1 ALA 188 HB3 -0.00 0.01 -0.04 -0.04 1.41 1.34 1fc9A1 GLU 189 H -0.00 0.04 -0.41 -0.55 8.60 7.68 1fc9A1 GLU 189 HA 0.00 0.09 0.31 -0.75 4.29 3.95 1fc9A1 GLU 189 HB2 0.00 0.16 -0.01 -0.04 2.09 2.20 1fc9A1 GLU 189 HB3 0.00 0.09 0.09 -0.04 1.99 2.13 1fc9A1 GLU 189 HG2 0.01 0.04 -0.02 -0.04 2.34 2.33 1fc9A1 GLU 189 HG3 0.01 0.10 -0.21 -0.04 2.34 2.19 1fc9A1 LYS 190 H 0.00 1.21 -0.03 -0.55 8.42 9.05 1fc9A1 LYS 190 HA 0.00 -0.04 0.30 -0.75 4.32 3.82 1fc9A1 LYS 190 HB2 0.00 0.07 0.07 -0.04 1.87 1.97 1fc9A1 LYS 190 HB3 0.00 -0.06 -0.05 -0.04 1.79 1.64 1fc9A1 LYS 190 HG2 -0.00 -0.08 -0.21 -0.04 1.46 1.12 1fc9A1 LYS 190 HG3 -0.00 -0.03 -0.38 -0.04 1.46 1.01 1fc9A1 LYS 190 HD2 -0.00 -0.02 -0.06 -0.04 1.69 1.57 1fc9A1 LYS 190 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.60 1fc9A1 LYS 190 HE2 -0.00 -0.08 -0.03 -0.04 2.99 2.84 1fc9A1 LYS 190 HE3 -0.00 0.17 -0.04 -0.04 2.99 3.07 1fc9A1 ALA 191 H 0.00 0.49 -0.26 -0.55 8.40 8.08 1fc9A1 ALA 191 HA 0.00 0.06 0.53 -0.75 4.34 4.17 1fc9A1 ALA 191 HB3 0.00 -0.03 0.08 -0.04 1.41 1.42 1fc9A1 GLY 192 H 0.00 0.50 -0.35 -0.55 8.43 8.04 1fc9A1 GLY 192 HA2 0.01 0.02 0.23 -0.51 4.01 3.75 1fc9A1 GLY 192 HA3 0.01 0.10 0.75 -0.51 4.01 4.36 1fc9A1 ALA 193 H 0.00 0.36 -0.02 -0.55 8.40 8.20 1fc9A1 ALA 193 HA 0.01 0.02 0.46 -0.75 4.34 4.07 1fc9A1 ALA 193 HB3 0.00 -0.02 -0.09 -0.04 1.41 1.26 1fc9A1 ARG 194 H 0.01 0.12 0.14 -0.55 8.46 8.18 1fc9A1 ARG 194 HA 0.02 0.22 0.99 -0.75 4.34 4.82 1fc9A1 ARG 194 HB2 0.01 -0.04 -0.03 -0.04 1.90 1.79 1fc9A1 ARG 194 HB3 0.02 -0.01 -0.02 -0.04 1.80 1.75 1fc9A1 ARG 194 HG2 0.01 -0.04 -0.08 -0.04 1.67 1.52 1fc9A1 ARG 194 HG3 0.01 0.19 -0.40 -0.04 1.67 1.43 1fc9A1 ARG 194 HD2 0.01 -0.03 -0.04 -0.04 3.22 3.12 1fc9A1 ARG 194 HD3 0.01 0.08 -0.02 -0.04 3.22 3.25 1fc9A1 ALA 195 H 0.05 0.11 0.07 -0.55 8.40 8.08 1fc9A1 ALA 195 HA 0.12 0.00 0.08 -0.75 4.34 3.79 1fc9A1 ALA 195 HB3 0.17 0.01 0.02 -0.04 1.41 1.57 1fc9A1 GLY 196 H 0.21 0.76 0.24 -0.55 8.43 9.09 1fc9A1 GLY 196 HA2 -0.04 -0.02 0.34 -0.51 4.01 3.77 1fc9A1 GLY 196 HA3 -0.08 0.17 0.76 -0.51 4.01 4.35 1fc9A1 ASP 197 H 0.01 0.48 -0.17 -0.55 8.40 8.18 1fc9A1 ASP 197 HA -0.06 0.08 0.56 -0.75 4.63 4.45 1fc9A1 ASP 197 HB2 -0.01 0.04 0.11 -0.04 2.71 2.81 1fc9A1 ASP 197 HB3 -0.04 0.00 -0.13 -0.04 2.70 2.50 1fc9A1 VAL 198 H -0.24 0.48 0.26 -0.55 8.24 8.20 1fc9A1 VAL 198 HA -0.11 0.08 0.49 -0.75 4.13 3.84 1fc9A1 VAL 198 HB -0.98 -0.00 0.02 -0.04 2.12 1.12 1fc9A1 VAL 198 HG13 -0.11 -0.02 -0.24 -0.04 0.97 0.57 1fc9A1 VAL 198 HG23 -0.14 -0.00 -0.05 -0.04 0.95 0.72 1fc9A1 ILE 199 H -0.06 0.75 0.39 -0.55 8.25 8.79 1fc9A1 ILE 199 HA -0.04 0.15 0.87 -0.75 4.18 4.41 1fc9A1 ILE 199 HB -0.03 0.01 0.05 -0.04 1.89 1.87 1fc9A1 ILE 199 HG12 -0.03 0.01 -0.19 -0.04 1.49 1.24 1fc9A1 ILE 199 HG13 -0.04 0.02 -0.20 -0.04 1.21 0.95 1fc9A1 ILE 199 HG23 -0.01 -0.02 -0.28 -0.04 0.93 0.57 1fc9A1 ILE 199 HD13 -0.04 -0.02 -0.34 -0.04 0.88 0.44 1fc9A1 VAL 200 H 0.01 0.69 0.36 -0.55 8.24 8.75 1fc9A1 VAL 200 HA 0.04 0.04 0.68 -0.75 4.13 4.13 1fc9A1 VAL 200 HB 0.05 -0.09 0.12 -0.04 2.12 2.16 1fc9A1 VAL 200 HG13 0.06 -0.02 -0.14 -0.04 0.97 0.83 1fc9A1 VAL 200 HG23 0.15 0.03 -0.12 -0.04 0.95 0.97 1fc9A1 THR 201 H 0.02 0.24 0.23 -0.55 8.28 8.23 1fc9A1 THR 201 HA 0.02 0.31 0.88 -0.75 4.39 4.85 1fc9A1 THR 201 HB 0.02 -0.09 -0.37 -0.04 4.32 3.83 1fc9A1 THR 201 HG23 0.02 -0.00 -0.51 -0.04 1.22 0.69 1fc9A1 VAL 202 H 0.01 0.64 0.06 -0.55 8.24 8.40 1fc9A1 VAL 202 HA 0.00 0.26 1.02 -0.75 4.13 4.66 1fc9A1 VAL 202 HB 0.00 -0.01 0.07 -0.04 2.12 2.15 1fc9A1 VAL 202 HG13 0.00 0.00 -0.26 -0.04 0.97 0.68 1fc9A1 VAL 202 HG23 -0.01 -0.02 -0.23 -0.04 0.95 0.66 1fc9A1 ASP 203 H 0.01 0.89 0.24 -0.55 8.40 8.99 1fc9A1 ASP 203 HA 0.01 -0.02 0.40 -0.75 4.63 4.26 1fc9A1 ASP 203 HB2 0.01 0.12 -0.29 -0.04 2.71 2.51 1fc9A1 ASP 203 HB3 0.01 0.01 0.25 -0.04 2.70 2.92 1fc9A1 GLY 204 H 0.01 0.06 -0.21 -0.55 8.43 7.75 1fc9A1 GLY 204 HA2 0.01 -0.02 0.24 -0.51 4.01 3.73 1fc9A1 GLY 204 HA3 0.01 0.12 0.36 -0.51 4.01 3.99 1fc9A1 THR 205 H 0.01 0.47 -0.61 -0.55 8.28 7.61 1fc9A1 THR 205 HA 0.02 0.11 0.75 -0.75 4.39 4.51 1fc9A1 THR 205 HB 0.01 0.11 0.13 -0.04 4.32 4.54 1fc9A1 THR 205 HG23 0.02 -0.01 -0.25 -0.04 1.22 0.94 1fc9A1 ALA 206 H 0.02 0.16 0.16 -0.55 8.40 8.20 1fc9A1 ALA 206 HA 0.02 0.24 0.55 -0.75 4.34 4.41 1fc9A1 ALA 206 HB3 0.02 -0.01 0.14 -0.04 1.41 1.53 1fc9A1 VAL 207 H 0.02 0.51 0.29 -0.55 8.24 8.50 1fc9A1 VAL 207 HA 0.02 0.16 0.64 -0.75 4.13 4.20 1fc9A1 VAL 207 HB 0.00 -0.09 0.02 -0.04 2.12 2.02 1fc9A1 VAL 207 HG13 0.00 0.02 -0.09 -0.04 0.97 0.86 1fc9A1 VAL 207 HG23 0.00 0.01 -0.15 -0.04 0.95 0.77 1fc9A1 LYS 208 H 0.03 0.10 -0.09 -0.55 8.42 7.90 1fc9A1 LYS 208 HA 0.06 -0.09 0.47 -0.75 4.32 4.01 1fc9A1 LYS 208 HB2 0.04 0.00 0.17 -0.04 1.87 2.05 1fc9A1 LYS 208 HB3 0.04 0.06 0.11 -0.04 1.79 1.96 1fc9A1 LYS 208 HG2 0.03 0.15 -0.22 -0.04 1.46 1.38 1fc9A1 LYS 208 HG3 0.05 -0.33 0.09 -0.04 1.46 1.23 1fc9A1 LYS 208 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.63 1fc9A1 LYS 208 HD3 0.04 0.02 0.03 -0.04 1.68 1.73 1fc9A1 LYS 208 HE2 0.03 0.02 -0.02 -0.04 2.99 2.97 1fc9A1 LYS 208 HE3 0.03 0.01 -0.04 -0.04 2.99 2.95 1fc9A1 GLY 209 H 0.09 0.05 0.05 -0.55 8.43 8.07 1fc9A1 GLY 209 HA2 0.00 0.00 0.30 -0.51 4.01 3.80 1fc9A1 GLY 209 HA3 0.03 0.10 0.33 -0.51 4.01 3.95 1fc9A1 LEU 210 H 0.08 0.52 -0.55 -0.55 8.37 7.87 1fc9A1 LEU 210 HA 0.07 0.07 0.59 -0.75 4.35 4.33 1fc9A1 LEU 210 HB2 0.05 0.03 -0.01 -0.04 1.64 1.66 1fc9A1 LEU 210 HB3 0.06 -0.15 0.05 -0.04 1.64 1.55 1fc9A1 LEU 210 HG 0.04 0.16 -0.11 -0.04 1.64 1.69 1fc9A1 LEU 210 HD13 0.03 -0.02 -0.06 -0.04 0.93 0.84 1fc9A1 LEU 210 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.84 1fc9A1 SER 211 H 0.10 0.09 0.15 -0.55 8.46 8.26 1fc9A1 SER 211 HA 0.22 0.24 0.45 -0.75 4.49 4.65 1fc9A1 SER 211 HB2 0.31 0.05 0.10 -0.04 3.95 4.37 1fc9A1 SER 211 HB3 0.16 0.14 0.16 -0.04 3.93 4.34 1fc9A1 LEU 212 H 0.01 0.26 0.13 -0.55 8.37 8.22 1fc9A1 LEU 212 HA -0.20 0.11 0.32 -0.75 4.35 3.83 1fc9A1 LEU 212 HB2 -0.47 -0.00 0.05 -0.04 1.64 1.18 1fc9A1 LEU 212 HB3 -0.33 0.02 0.00 -0.04 1.64 1.29 1fc9A1 LEU 212 HG -0.47 0.05 0.01 -0.04 1.64 1.18 1fc9A1 LEU 212 HD13 -0.28 0.01 -0.03 -0.04 0.93 0.59 1fc9A1 LEU 212 HD23 -0.78 0.01 -0.20 -0.04 0.89 -0.13 1fc9A1 TYR 213 H -0.04 0.05 -0.33 -0.55 8.29 7.42 1fc9A1 TYR 213 HA -0.01 0.13 0.40 -0.75 4.56 4.33 1fc9A1 TYR 213 HB2 0.00 -0.02 -0.04 -0.04 3.06 2.96 1fc9A1 TYR 213 HB3 -0.01 0.06 -0.04 -0.04 2.98 2.94 1fc9A1 TYR 213 HD2 0.01 -0.00 -0.04 -0.04 7.15 7.08 1fc9A1 TYR 213 HE2 0.04 0.06 -0.06 -0.04 6.85 6.85 1fc9A1 ASP 214 H 0.14 0.02 -0.29 -0.55 8.40 7.72 1fc9A1 ASP 214 HA 0.07 0.06 0.36 -0.75 4.63 4.36 1fc9A1 ASP 214 HB2 0.07 0.04 0.12 -0.04 2.71 2.90 1fc9A1 ASP 214 HB3 0.05 0.07 0.00 -0.04 2.70 2.77 1fc9A1 VAL 215 H -0.00 0.51 -0.25 -0.55 8.24 7.95 1fc9A1 VAL 215 HA -0.01 0.02 0.27 -0.75 4.13 3.66 1fc9A1 VAL 215 HB -0.09 0.02 -0.00 -0.04 2.12 2.01 1fc9A1 VAL 215 HG13 -0.04 -0.01 -0.12 -0.04 0.97 0.76 1fc9A1 VAL 215 HG23 -0.03 0.09 -0.13 -0.04 0.95 0.84 1fc9A1 SER 216 H -0.05 0.67 -0.11 -0.55 8.46 8.43 1fc9A1 SER 216 HA -0.03 -0.03 0.32 -0.75 4.49 3.99 1fc9A1 SER 216 HB2 0.01 0.13 0.07 -0.04 3.95 4.11 1fc9A1 SER 216 HB3 -0.01 -0.04 -0.09 -0.04 3.93 3.76 1fc9A1 ASP 217 H 0.02 0.42 -0.43 -0.55 8.40 7.86 1fc9A1 ASP 217 HA 0.02 0.00 0.47 -0.75 4.63 4.37 1fc9A1 ASP 217 HB2 0.03 0.19 0.17 -0.04 2.71 3.06 1fc9A1 ASP 217 HB3 0.02 -0.04 -0.01 -0.04 2.70 2.63 1fc9A1 LEU 218 H 0.01 0.34 -0.06 -0.55 8.37 8.11 1fc9A1 LEU 218 HA 0.01 0.02 0.39 -0.75 4.35 4.02 1fc9A1 LEU 218 HB2 0.00 0.07 0.14 -0.04 1.64 1.81 1fc9A1 LEU 218 HB3 0.00 -0.04 -0.00 -0.04 1.64 1.56 1fc9A1 LEU 218 HG 0.01 0.14 -0.01 -0.04 1.64 1.74 1fc9A1 LEU 218 HD13 0.01 -0.01 -0.07 -0.04 0.93 0.82 1fc9A1 LEU 218 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 1fc9A1 LEU 219 H -0.01 0.50 -0.15 -0.55 8.37 8.16 1fc9A1 LEU 219 HA -0.00 0.03 0.32 -0.75 4.35 3.94 1fc9A1 LEU 219 HB2 -0.02 0.07 -0.01 -0.04 1.64 1.65 1fc9A1 LEU 219 HB3 -0.01 -0.18 -0.00 -0.04 1.64 1.41 1fc9A1 LEU 219 HG -0.01 0.03 -0.11 -0.04 1.64 1.50 1fc9A1 LEU 219 HD13 -0.03 -0.03 -0.19 -0.04 0.93 0.64 1fc9A1 LEU 219 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.68 1fc9A1 GLN 220 H 0.00 0.21 -0.62 -0.55 8.47 7.51 1fc9A1 GLN 220 HA 0.00 0.16 1.00 -0.75 4.36 4.77 1fc9A1 GLN 220 HB2 0.01 0.00 0.12 -0.04 2.15 2.23 1fc9A1 GLN 220 HB3 0.01 -0.11 0.02 -0.04 2.02 1.90 1fc9A1 GLN 220 HG2 -0.00 -0.10 -0.14 -0.04 2.40 2.12 1fc9A1 GLN 220 HG3 -0.00 0.21 -0.02 -0.04 2.39 2.54 1fc9A1 GLN 220 HE21 0.01 -0.03 -0.14 -0.04 6.97 6.77 1fc9A1 GLN 220 HE22 -0.00 -0.08 -0.18 -0.04 7.69 7.39 1fc9A1 GLY 221 H 0.00 0.57 0.32 -0.55 8.43 8.77 1fc9A1 GLY 221 HA2 0.01 0.01 0.36 -0.51 4.01 3.88 1fc9A1 GLY 221 HA3 0.00 0.11 0.37 -0.51 4.01 3.99 1fc9A1 GLU 222 H 0.00 0.11 0.14 -0.55 8.60 8.31 1fc9A1 GLU 222 HA 0.00 -0.02 0.38 -0.75 4.29 3.89 1fc9A1 GLU 222 HB2 0.00 0.04 0.14 -0.04 2.09 2.24 1fc9A1 GLU 222 HB3 0.00 -0.07 0.21 -0.04 1.99 2.09 1fc9A1 GLU 222 HG2 0.01 -0.02 0.09 -0.04 2.34 2.37 1fc9A1 GLU 222 HG3 0.00 0.02 0.06 -0.04 2.34 2.38 1fc9A1 ALA 223 H 0.00 0.07 0.25 -0.55 8.40 8.18 1fc9A1 ALA 223 HA 0.00 0.03 0.55 -0.75 4.34 4.17 1fc9A1 ALA 223 HB3 0.00 0.03 0.19 -0.04 1.41 1.59 1fc9A1 ASP 224 H 0.00 0.30 0.36 -0.55 8.40 8.51 1fc9A1 ASP 224 HA 0.00 0.54 0.51 -0.75 4.63 4.93 1fc9A1 ASP 224 HB2 0.00 -0.05 0.01 -0.04 2.71 2.63 1fc9A1 ASP 224 HB3 0.00 -0.05 0.21 -0.04 2.70 2.82 1fc9A1 SER 225 H 0.00 0.41 -0.59 -0.55 8.46 7.74 1fc9A1 SER 225 HA 0.00 0.06 0.59 -0.75 4.49 4.38 1fc9A1 SER 225 HB2 0.00 -0.10 0.13 -0.04 3.95 3.94 1fc9A1 SER 225 HB3 0.00 -0.00 -0.01 -0.04 3.93 3.88 1fc9A1 GLN 226 H 0.00 0.10 0.17 -0.55 8.47 8.20 1fc9A1 GLN 226 HA 0.00 0.35 1.22 -0.75 4.36 5.18 1fc9A1 GLN 226 HB2 0.00 -0.06 0.01 -0.04 2.15 2.06 1fc9A1 GLN 226 HB3 0.00 -0.06 -0.18 -0.04 2.02 1.75 1fc9A1 GLN 226 HG2 0.00 0.12 -0.76 -0.04 2.40 1.72 1fc9A1 GLN 226 HG3 0.00 -0.01 -0.32 -0.04 2.39 2.01 1fc9A1 GLN 226 HE21 0.00 -0.01 -0.12 -0.04 6.97 6.79 1fc9A1 GLN 226 HE22 0.00 0.01 -0.25 -0.04 7.69 7.41 1fc9A1 VAL 227 H 0.00 0.72 0.34 -0.55 8.24 8.75 1fc9A1 VAL 227 HA 0.00 0.06 0.80 -0.75 4.13 4.24 1fc9A1 VAL 227 HB 0.00 0.15 -0.22 -0.04 2.12 2.02 1fc9A1 VAL 227 HG13 0.00 0.01 -0.12 -0.04 0.97 0.82 1fc9A1 VAL 227 HG23 0.00 -0.01 -0.23 -0.04 0.95 0.68 1fc9A1 GLU 228 H 0.00 0.15 0.18 -0.55 8.60 8.39 1fc9A1 GLU 228 HA 0.00 0.43 1.03 -0.75 4.29 5.00 1fc9A1 GLU 228 HB2 0.01 0.03 0.04 -0.04 2.09 2.12 1fc9A1 GLU 228 HB3 0.01 -0.10 0.16 -0.04 1.99 2.02 1fc9A1 GLU 228 HG2 0.01 0.07 -0.33 -0.04 2.34 2.05 1fc9A1 GLU 228 HG3 0.01 0.07 -0.17 -0.04 2.34 2.20 1fc9A1 VAL 229 H 0.00 0.64 0.33 -0.55 8.24 8.66 1fc9A1 VAL 229 HA 0.00 0.28 1.07 -0.75 4.13 4.73 1fc9A1 VAL 229 HB 0.00 -0.03 0.08 -0.04 2.12 2.14 1fc9A1 VAL 229 HG13 -0.00 0.00 -0.20 -0.04 0.97 0.73 1fc9A1 VAL 229 HG23 -0.00 0.01 -0.20 -0.04 0.95 0.71 1fc9A1 VAL 230 H 0.01 0.58 0.31 -0.55 8.24 8.59 1fc9A1 VAL 230 HA 0.02 0.33 1.21 -0.75 4.13 4.93 1fc9A1 VAL 230 HB 0.03 -0.30 0.24 -0.04 2.12 2.04 1fc9A1 VAL 230 HG13 0.04 0.03 -0.14 -0.04 0.97 0.86 1fc9A1 VAL 230 HG23 0.02 0.00 -0.12 -0.04 0.95 0.81 1fc9A1 LEU 231 H 0.02 0.62 0.40 -0.55 8.37 8.87 1fc9A1 LEU 231 HA -0.00 0.08 1.09 -0.75 4.35 4.76 1fc9A1 LEU 231 HB2 -0.04 -0.00 0.02 -0.04 1.64 1.58 1fc9A1 LEU 231 HB3 -0.04 0.01 0.01 -0.04 1.64 1.59 1fc9A1 LEU 231 HG -0.01 -0.02 -0.18 -0.04 1.64 1.38 1fc9A1 LEU 231 HD13 -0.01 -0.03 -0.31 -0.04 0.93 0.54 1fc9A1 LEU 231 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.72 1fc9A1 HIS 232 H -0.16 0.55 0.30 -0.55 8.41 8.55 1fc9A1 HIS 232 HA 0.00 0.31 0.80 -0.75 4.63 4.99 1fc9A1 HIS 232 HB2 0.00 0.30 -0.16 -0.04 3.26 3.36 1fc9A1 HIS 232 HB3 0.01 -0.02 -0.31 -0.04 3.20 2.84 1fc9A1 HIS 232 HD2 0.01 -0.00 -0.18 -0.04 6.97 6.75 1fc9A1 HIS 232 HE1 0.01 -0.11 -0.12 -0.04 7.75 7.49 1fc9A1 ALA 233 H 0.12 0.29 0.14 -0.55 8.40 8.42 1fc9A1 ALA 233 HA 0.01 0.07 0.47 -0.75 4.34 4.14 1fc9A1 ALA 233 HB3 0.05 0.02 0.08 -0.04 1.41 1.52 1fc9A1 PRO 234 HA 0.04 -0.05 0.42 -0.51 4.44 4.34 1fc9A1 PRO 234 HB2 -0.00 0.03 -0.02 -0.04 2.28 2.25 1fc9A1 PRO 234 HB3 -0.02 0.03 0.13 -0.04 2.02 2.12 1fc9A1 PRO 234 HG2 -0.02 0.02 0.07 -0.04 2.03 2.05 1fc9A1 PRO 234 HG3 -0.06 0.12 0.07 -0.04 2.03 2.13 1fc9A1 PRO 234 HD2 -0.00 0.06 0.16 -0.04 3.68 3.85 1fc9A1 PRO 234 HD3 -0.03 0.20 0.05 -0.04 3.65 3.82 1fc9A1 GLY 235 H 0.14 0.09 0.16 -0.55 8.43 8.28 1fc9A1 GLY 235 HA2 0.06 -0.02 0.34 -0.51 4.01 3.88 1fc9A1 GLY 235 HA3 0.04 0.12 0.39 -0.51 4.01 4.04 1fc9A1 ALA 236 H 0.19 0.55 -0.51 -0.55 8.40 8.07 1fc9A1 ALA 236 HA -0.04 0.19 0.91 -0.75 4.34 4.64 1fc9A1 ALA 236 HB3 0.03 -0.02 0.07 -0.04 1.41 1.45 1fc9A1 PRO 237 HA -1.65 0.09 0.24 -0.51 4.44 2.61 1fc9A1 PRO 237 HB2 -0.21 0.05 -0.07 -0.04 2.28 2.01 1fc9A1 PRO 237 HB3 -0.39 0.01 0.02 -0.04 2.02 1.62 1fc9A1 PRO 237 HG2 -0.12 0.06 -0.02 -0.04 2.03 1.91 1fc9A1 PRO 237 HG3 -0.12 0.02 -0.03 -0.04 2.03 1.85 1fc9A1 PRO 237 HD2 -0.11 0.17 0.00 -0.04 3.68 3.70 1fc9A1 PRO 237 HD3 -0.10 0.05 -0.45 -0.04 3.65 3.11 1fc9A1 SER 238 H -0.13 0.02 -0.54 -0.55 8.46 7.26 1fc9A1 SER 238 HA -0.06 0.11 0.56 -0.75 4.49 4.34 1fc9A1 SER 238 HB2 -0.03 0.03 0.01 -0.04 3.95 3.91 1fc9A1 SER 238 HB3 -0.05 -0.01 0.04 -0.04 3.93 3.87 1fc9A1 ASN 239 H -0.03 0.04 -0.08 -0.55 8.53 7.91 1fc9A1 ASN 239 HA 0.01 0.07 0.43 -0.75 4.76 4.52 1fc9A1 ASN 239 HB2 0.01 -0.04 0.14 -0.04 2.88 2.94 1fc9A1 ASN 239 HB3 0.02 0.10 0.22 -0.04 2.79 3.10 1fc9A1 ASN 239 HD21 0.02 0.01 0.05 -0.04 7.03 7.07 1fc9A1 ASN 239 HD22 0.03 0.01 0.07 -0.04 7.74 7.81 1fc9A1 THR 240 H 0.01 0.70 0.15 -0.55 8.28 8.60 1fc9A1 THR 240 HA 0.08 0.33 1.50 -0.75 4.39 5.55 1fc9A1 THR 240 HB 0.09 0.14 0.06 -0.04 4.32 4.57 1fc9A1 THR 240 HG23 0.05 -0.02 -0.23 -0.04 1.22 0.99 1fc9A1 ARG 241 H 0.04 0.66 0.42 -0.55 8.46 9.03 1fc9A1 ARG 241 HA 0.02 0.11 0.82 -0.75 4.34 4.54 1fc9A1 ARG 241 HB2 0.02 0.03 -0.03 -0.04 1.90 1.88 1fc9A1 ARG 241 HB3 0.02 -0.04 -0.06 -0.04 1.80 1.68 1fc9A1 ARG 241 HG2 0.02 0.03 -0.07 -0.04 1.67 1.60 1fc9A1 ARG 241 HG3 0.01 0.05 -0.06 -0.04 1.67 1.63 1fc9A1 ARG 241 HD2 0.01 -0.12 0.06 -0.04 3.22 3.12 1fc9A1 ARG 241 HD3 0.01 -0.00 0.02 -0.04 3.22 3.21 1fc9A1 THR 242 H 0.01 0.22 0.10 -0.55 8.28 8.07 1fc9A1 THR 242 HA 0.01 0.17 1.03 -0.75 4.39 4.85 1fc9A1 THR 242 HB 0.01 0.01 0.16 -0.04 4.32 4.45 1fc9A1 THR 242 HG23 0.01 -0.01 -0.21 -0.04 1.22 0.97 1fc9A1 LEU 243 H 0.01 0.68 0.28 -0.55 8.37 8.79 1fc9A1 LEU 243 HA 0.01 0.09 0.55 -0.75 4.35 4.24 1fc9A1 LEU 243 HB2 0.00 -0.06 0.13 -0.04 1.64 1.68 1fc9A1 LEU 243 HB3 0.00 0.02 -0.08 -0.04 1.64 1.55 1fc9A1 LEU 243 HG 0.01 0.05 -0.07 -0.04 1.64 1.59 1fc9A1 LEU 243 HD13 0.00 -0.01 -0.12 -0.04 0.93 0.76 1fc9A1 LEU 243 HD23 0.01 0.01 -0.18 -0.04 0.89 0.69 1fc9A1 GLN 244 H 0.00 0.23 0.16 -0.55 8.47 8.32 1fc9A1 GLN 244 HA 0.00 0.09 0.85 -0.75 4.36 4.55 1fc9A1 GLN 244 HB2 0.00 0.02 0.15 -0.04 2.15 2.28 1fc9A1 GLN 244 HB3 0.00 0.01 0.04 -0.04 2.02 2.03 1fc9A1 GLN 244 HG2 0.00 0.01 -0.14 -0.04 2.40 2.23 1fc9A1 GLN 244 HG3 0.00 -0.00 -0.04 -0.04 2.39 2.31 1fc9A1 GLN 244 HE21 0.00 -0.07 -0.27 -0.04 6.97 6.58 1fc9A1 GLN 244 HE22 0.00 0.03 -0.18 -0.04 7.69 7.50 1fc9A1 LEU 245 H 0.00 0.81 0.26 -0.55 8.37 8.90 1fc9A1 LEU 245 HA 0.00 0.21 1.09 -0.75 4.35 4.91 1fc9A1 LEU 245 HB2 0.00 0.14 0.09 -0.04 1.64 1.83 1fc9A1 LEU 245 HB3 -0.00 -0.00 -0.17 -0.04 1.64 1.42 1fc9A1 LEU 245 HG 0.00 -0.04 -0.34 -0.04 1.64 1.22 1fc9A1 LEU 245 HD13 -0.00 -0.01 -0.11 -0.04 0.93 0.77 1fc9A1 LEU 245 HD23 0.00 0.01 -0.27 -0.04 0.89 0.58 1fc9A1 THR 246 H 0.00 0.16 0.14 -0.55 8.28 8.03 1fc9A1 THR 246 HA 0.00 0.17 0.62 -0.75 4.39 4.42 1fc9A1 THR 246 HB 0.00 -0.07 0.09 -0.04 4.32 4.30 1fc9A1 THR 246 HG23 0.00 0.03 -0.36 -0.04 1.22 0.85 1fc9A1 ARG 247 H 0.00 1.38 0.27 -0.55 8.46 9.55 1fc9A1 ARG 247 HA -0.00 0.12 0.37 -0.75 4.34 4.07 1fc9A1 ARG 247 HB2 0.00 0.02 0.06 -0.04 1.90 1.94 1fc9A1 ARG 247 HB3 0.00 -0.12 -0.25 -0.04 1.80 1.39 1fc9A1 ARG 247 HG2 -0.00 -0.00 -0.28 -0.04 1.67 1.35 1fc9A1 ARG 247 HG3 0.00 -0.02 -0.21 -0.04 1.67 1.39 1fc9A1 ARG 247 HD2 0.00 -0.08 -0.39 -0.04 3.22 2.72 1fc9A1 ARG 247 HD3 0.00 -0.07 -0.33 -0.04 3.22 2.78 1fc9A1 GLN 248 H -0.00 0.47 0.37 -0.55 8.47 8.77 1fc9A1 GLN 248 HA -0.00 -0.06 0.66 -0.75 4.36 4.20 1fc9A1 GLN 248 HB2 -0.00 0.08 -0.01 -0.04 2.15 2.19 1fc9A1 GLN 248 HB3 -0.00 -0.06 0.19 -0.04 2.02 2.10 1fc9A1 GLN 248 HG2 -0.00 -0.02 -0.17 -0.04 2.40 2.16 1fc9A1 GLN 248 HG3 -0.00 -0.11 -1.63 -0.04 2.39 0.61 1fc9A1 GLN 248 HE21 -0.00 -0.03 0.02 -0.04 6.97 6.92 1fc9A1 GLN 248 HE22 -0.00 0.04 -0.03 -0.04 7.69 7.66 1fc9A1 LYS 249 H -0.00 0.11 0.15 -0.55 8.42 8.13 1fc9A1 LYS 249 HA -0.00 -0.04 0.42 -0.75 4.32 3.94 1fc9A1 LYS 249 HB2 -0.00 0.00 0.13 -0.04 1.87 1.97 1fc9A1 LYS 249 HB3 -0.00 -0.00 0.01 -0.04 1.79 1.75 1fc9A1 LYS 249 HG2 -0.00 0.03 0.02 -0.04 1.46 1.47 1fc9A1 LYS 249 HG3 -0.00 -0.05 0.01 -0.04 1.46 1.38 1fc9A1 LYS 249 HD2 0.00 0.17 -0.00 -0.04 1.69 1.81 1fc9A1 LYS 249 HD3 0.00 -0.04 0.02 -0.04 1.68 1.61 1fc9A1 LYS 249 HE2 -0.00 -0.01 0.04 -0.04 2.99 2.97 1fc9A1 LYS 249 HE3 -0.00 -0.04 0.02 -0.04 2.99 2.92 1fc9A1 VAL 250 H -0.00 0.13 0.10 -0.55 8.24 7.92 1fc9A1 VAL 250 HA -0.00 0.22 0.86 -0.75 4.13 4.45 1fc9A1 VAL 250 HB -0.01 -0.14 0.18 -0.04 2.12 2.12 1fc9A1 VAL 250 HG13 -0.01 0.00 -0.19 -0.04 0.97 0.74 1fc9A1 VAL 250 HG23 -0.00 0.09 -0.08 -0.04 0.95 0.91 1fc9A1 THR 251 H -0.01 0.19 0.01 -0.55 8.28 7.92 1fc9A1 THR 251 HA -0.01 0.08 0.66 -0.75 4.39 4.37 1fc9A1 THR 251 HB -0.01 0.02 -0.02 -0.04 4.32 4.27 1fc9A1 THR 251 HG23 -0.01 0.01 0.01 -0.04 1.22 1.19 1fc9A1 ILE 252 H -0.01 0.18 0.18 -0.55 8.25 8.05 1fc9A1 ILE 252 HA -0.01 0.19 0.78 -0.75 4.18 4.39 1fc9A1 ILE 252 HB -0.01 0.07 -0.24 -0.04 1.89 1.67 1fc9A1 ILE 252 HG12 -0.02 -0.03 -0.14 -0.04 1.49 1.25 1fc9A1 ILE 252 HG13 -0.02 -0.01 0.04 -0.04 1.21 1.19 1fc9A1 ILE 252 HG23 -0.02 -0.03 -0.18 -0.04 0.93 0.66 1fc9A1 ILE 252 HD13 -0.01 0.03 -0.07 -0.04 0.88 0.79 1fc9A1 ASN 253 H -0.02 0.22 0.08 -0.55 8.53 8.26 1fc9A1 ASN 253 HA -0.03 0.20 0.89 -0.75 4.76 5.06 1fc9A1 ASN 253 HB2 -0.02 0.01 -0.02 -0.04 2.88 2.81 1fc9A1 ASN 253 HB3 -0.02 0.02 0.06 -0.04 2.79 2.80 1fc9A1 ASN 253 HD21 -0.02 0.03 0.04 -0.04 7.03 7.04 1fc9A1 ASN 253 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 1fc9A1 PRO 254 HA -0.09 0.05 0.44 -0.51 4.44 4.32 1fc9A1 PRO 254 HB2 -0.13 0.06 0.01 -0.04 2.28 2.18 1fc9A1 PRO 254 HB3 -0.09 -0.09 0.04 -0.04 2.02 1.83 1fc9A1 PRO 254 HG2 -0.05 0.13 -0.07 -0.04 2.03 1.99 1fc9A1 PRO 254 HG3 -0.04 -0.17 -0.06 -0.04 2.03 1.72 1fc9A1 PRO 254 HD2 -0.03 0.13 0.20 -0.04 3.68 3.94 1fc9A1 PRO 254 HD3 -0.03 0.17 0.17 -0.04 3.65 3.92 1fc9A1 VAL 255 H -0.05 0.14 -0.05 -0.55 8.24 7.73 1fc9A1 VAL 255 HA -0.10 0.52 1.24 -0.75 4.13 5.03 1fc9A1 VAL 255 HB -0.06 -0.08 0.00 -0.04 2.12 1.95 1fc9A1 VAL 255 HG13 -0.07 0.01 -0.40 -0.04 0.97 0.47 1fc9A1 VAL 255 HG23 -0.15 -0.03 -0.24 -0.04 0.95 0.49 1fc9A1 THR 256 H -0.05 0.60 0.40 -0.55 8.28 8.68 1fc9A1 THR 256 HA 0.01 0.14 0.87 -0.75 4.39 4.65 1fc9A1 THR 256 HB -0.01 -0.01 0.09 -0.04 4.32 4.35 1fc9A1 THR 256 HG23 -0.02 -0.01 -0.16 -0.04 1.22 0.99 1fc9A1 PHE 257 H -0.17 0.24 0.26 -0.55 8.34 8.13 1fc9A1 PHE 257 HA -0.04 0.23 0.92 -0.75 4.62 4.98 1fc9A1 PHE 257 HB2 -0.11 0.19 0.24 -0.04 3.15 3.43 1fc9A1 PHE 257 HB3 -0.18 -0.06 -0.15 -0.04 3.06 2.63 1fc9A1 PHE 257 HD2 -0.07 0.00 -0.15 -0.04 7.28 7.02 1fc9A1 PHE 257 HE2 -0.04 -0.00 -0.07 -0.04 7.38 7.23 1fc9A1 PHE 257 HZ -0.03 0.01 -0.03 -0.04 7.32 7.22 1fc9A1 THR 258 H 0.28 0.65 0.44 -0.55 8.28 9.11 1fc9A1 THR 258 HA -0.09 0.13 0.59 -0.75 4.39 4.27 1fc9A1 THR 258 HB -0.03 0.04 -0.13 -0.04 4.32 4.16 1fc9A1 THR 258 HG23 0.08 -0.01 -0.24 -0.04 1.22 1.01 1fc9A1 THR 259 H 0.04 0.21 0.18 -0.55 8.28 8.17 1fc9A1 THR 259 HA 0.12 0.25 1.13 -0.75 4.39 5.14 1fc9A1 THR 259 HB 0.05 -0.05 0.10 -0.04 4.32 4.39 1fc9A1 THR 259 HG23 0.06 0.02 -0.22 -0.04 1.22 1.04 1fc9A1 CYS 260 H 0.08 0.83 0.30 -0.55 8.50 9.16 1fc9A1 CYS 260 HA 0.02 0.10 0.96 -0.75 4.58 4.90 1fc9A1 CYS 260 HB2 0.05 0.01 0.13 -0.04 2.97 3.13 1fc9A1 CYS 260 HB3 0.01 0.10 -0.02 -0.04 2.97 3.02 1fc9A1 SER 261 H 0.01 0.13 0.17 -0.55 8.46 8.23 1fc9A1 SER 261 HA 0.02 0.26 1.11 -0.75 4.49 5.13 1fc9A1 SER 261 HB2 0.01 -0.02 0.07 -0.04 3.95 3.97 1fc9A1 SER 261 HB3 0.01 -0.02 0.09 -0.04 3.93 3.97 1fc9A1 ASN 262 H 0.01 0.16 0.24 -0.55 8.53 8.40 1fc9A1 ASN 262 HA 0.01 -0.01 0.36 -0.75 4.76 4.36 1fc9A1 ASN 262 HB2 0.00 0.14 -0.01 -0.04 2.88 2.97 1fc9A1 ASN 262 HB3 0.00 -0.02 0.17 -0.04 2.79 2.89 1fc9A1 ASN 262 HD21 0.00 -0.02 -0.04 -0.04 7.03 6.93 1fc9A1 ASN 262 HD22 0.00 0.03 -0.12 -0.04 7.74 7.61 1fc9A1 VAL 263 H 0.02 0.41 -0.26 -0.55 8.24 7.86 1fc9A1 VAL 263 HA 0.02 0.05 0.13 -0.75 4.13 3.57 1fc9A1 VAL 263 HB 0.03 -0.16 -0.30 -0.04 2.12 1.65 1fc9A1 VAL 263 HG13 0.05 0.11 -0.28 -0.04 0.97 0.81 1fc9A1 VAL 263 HG23 0.04 -0.02 -0.35 -0.04 0.95 0.57 1fc9A1 ALA 264 H 0.02 0.48 0.47 -0.55 8.40 8.82 1fc9A1 ALA 264 HA 0.01 0.01 0.38 -0.75 4.34 3.99 1fc9A1 ALA 264 HB3 0.02 -0.04 0.10 -0.04 1.41 1.45 1fc9A1 ALA 265 H 0.02 0.11 0.16 -0.55 8.40 8.14 1fc9A1 ALA 265 HA 0.02 0.18 0.46 -0.75 4.34 4.25 1fc9A1 ALA 265 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 1fc9A1 ALA 266 H 0.02 0.06 -0.11 -0.55 8.40 7.82 1fc9A1 ALA 266 HA 0.04 0.04 0.34 -0.75 4.34 4.00 1fc9A1 ALA 266 HB3 0.03 0.01 -0.06 -0.04 1.41 1.35 1fc9A1 ALA 267 H 0.05 0.10 -0.91 -0.55 8.40 7.09 1fc9A1 ALA 267 HA 0.12 0.08 0.90 -0.75 4.34 4.69 1fc9A1 ALA 267 HB3 0.07 0.03 -0.03 -0.04 1.41 1.44 1fc9A1 LEU 268 H 0.07 0.32 -0.18 -0.55 8.37 8.03 1fc9A1 LEU 268 HA 0.06 0.13 0.64 -0.75 4.35 4.42 1fc9A1 LEU 268 HB2 -0.01 -0.04 0.04 -0.04 1.64 1.59 1fc9A1 LEU 268 HB3 -0.07 0.08 0.04 -0.04 1.64 1.65 1fc9A1 LEU 268 HG 0.04 0.08 -0.18 -0.04 1.64 1.54 1fc9A1 LEU 268 HD13 0.00 -0.02 -0.11 -0.04 0.93 0.76 1fc9A1 LEU 268 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.79 1fc9A1 PRO 269 HA -0.45 0.07 0.41 -0.51 4.44 3.96 1fc9A1 PRO 269 HB2 -0.40 0.11 -0.09 -0.04 2.28 1.86 1fc9A1 PRO 269 HB3 -1.41 -0.03 0.06 -0.04 2.02 0.60 1fc9A1 PRO 269 HG2 -0.31 0.05 -0.02 -0.04 2.03 1.70 1fc9A1 PRO 269 HG3 -0.59 0.11 0.06 -0.04 2.03 1.57 1fc9A1 PRO 269 HD2 -0.23 0.01 0.11 -0.04 3.68 3.53 1fc9A1 PRO 269 HD3 -0.48 0.08 0.09 -0.04 3.65 3.30 1fc9A1 PRO 270 HA -0.04 -0.03 0.32 -0.51 4.44 4.18 1fc9A1 PRO 270 HB2 -0.03 0.02 0.06 -0.04 2.28 2.30 1fc9A1 PRO 270 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.04 1fc9A1 PRO 270 HG2 -0.00 0.04 0.10 -0.04 2.03 2.12 1fc9A1 PRO 270 HG3 0.02 0.04 0.09 -0.04 2.03 2.14 1fc9A1 PRO 270 HD2 -0.10 0.10 0.19 -0.04 3.68 3.83 1fc9A1 PRO 270 HD3 0.01 0.16 0.22 -0.04 3.65 3.99 1fc9A1 GLY 271 H -0.04 0.07 0.15 -0.55 8.43 8.07 1fc9A1 GLY 271 HA2 -0.03 -0.05 0.31 -0.51 4.01 3.74 1fc9A1 GLY 271 HA3 -0.04 0.10 0.56 -0.51 4.01 4.12 1fc9A1 ALA 272 H -0.07 0.20 -0.05 -0.55 8.40 7.94 1fc9A1 ALA 272 HA -0.07 0.05 0.47 -0.75 4.34 4.04 1fc9A1 ALA 272 HB3 -0.07 0.07 0.12 -0.04 1.41 1.49 1fc9A1 ALA 273 H -0.03 0.19 0.29 -0.55 8.40 8.30 1fc9A1 ALA 273 HA -0.02 0.05 0.42 -0.75 4.34 4.04 1fc9A1 ALA 273 HB3 -0.01 0.00 0.10 -0.04 1.41 1.46 1fc9A1 LYS 274 H -0.02 0.10 -0.19 -0.55 8.42 7.75 1fc9A1 LYS 274 HA -0.01 0.13 0.38 -0.75 4.32 4.07 1fc9A1 LYS 274 HB2 0.00 -0.13 0.12 -0.04 1.87 1.83 1fc9A1 LYS 274 HB3 -0.00 0.20 -0.02 -0.04 1.79 1.92 1fc9A1 LYS 274 HG2 -0.00 -0.02 -0.12 -0.04 1.46 1.27 1fc9A1 LYS 274 HG3 0.00 -0.09 -0.05 -0.04 1.46 1.28 1fc9A1 LYS 274 HD2 0.01 -0.09 -0.04 -0.04 1.69 1.53 1fc9A1 LYS 274 HD3 0.00 0.01 -0.05 -0.04 1.68 1.60 1fc9A1 LYS 274 HE2 0.01 0.37 0.08 -0.04 2.99 3.41 1fc9A1 LYS 274 HE3 0.02 -0.21 -0.08 -0.04 2.99 2.67 1fc9A1 GLN 275 H 0.00 0.15 0.04 -0.55 8.47 8.12 1fc9A1 GLN 275 HA 0.01 0.24 0.69 -0.75 4.36 4.55 1fc9A1 GLN 275 HB2 0.01 -0.20 0.27 -0.04 2.15 2.19 1fc9A1 GLN 275 HB3 0.01 0.38 0.08 -0.04 2.02 2.46 1fc9A1 GLN 275 HG2 0.00 0.05 -0.17 -0.04 2.40 2.24 1fc9A1 GLN 275 HG3 0.00 -0.05 0.03 -0.04 2.39 2.34 1fc9A1 GLN 275 HE21 0.00 -0.08 -0.06 -0.04 6.97 6.80 1fc9A1 GLN 275 HE22 0.00 0.03 -0.10 -0.04 7.69 7.58 1fc9A1 GLN 276 H 0.01 0.46 -0.27 -0.55 8.47 8.13 1fc9A1 GLN 276 HA 0.04 0.37 0.85 -0.75 4.36 4.86 1fc9A1 GLN 276 HB2 0.02 -0.09 -0.31 -0.04 2.15 1.73 1fc9A1 GLN 276 HB3 0.02 -0.05 0.03 -0.04 2.02 1.98 1fc9A1 GLN 276 HG2 0.05 -0.02 -0.18 -0.04 2.40 2.20 1fc9A1 GLN 276 HG3 0.03 0.07 -0.07 -0.04 2.39 2.38 1fc9A1 GLN 276 HE21 0.02 0.02 -0.06 -0.04 6.97 6.91 1fc9A1 GLN 276 HE22 0.02 -0.06 -0.07 -0.04 7.69 7.54 1fc9A1 LEU 277 H 0.06 0.45 0.25 -0.55 8.37 8.59 1fc9A1 LEU 277 HA 0.09 0.21 1.11 -0.75 4.35 5.01 1fc9A1 LEU 277 HB2 0.11 -0.10 -0.04 -0.04 1.64 1.57 1fc9A1 LEU 277 HB3 0.16 0.12 -0.14 -0.04 1.64 1.74 1fc9A1 LEU 277 HG 0.10 -0.10 -0.34 -0.04 1.64 1.25 1fc9A1 LEU 277 HD13 0.18 0.04 -0.18 -0.04 0.93 0.92 1fc9A1 LEU 277 HD23 0.17 0.02 -0.12 -0.04 0.89 0.92 1fc9A1 GLY 278 H 0.11 0.79 0.40 -0.55 8.43 9.18 1fc9A1 GLY 278 HA2 0.14 0.14 1.00 -0.51 4.01 4.77 1fc9A1 GLY 278 HA3 0.11 0.02 0.41 -0.51 4.01 4.04 1fc9A1 TYR 279 H 0.23 0.68 0.37 -0.55 8.29 9.03 1fc9A1 TYR 279 HA 0.06 0.24 1.04 -0.75 4.56 5.15 1fc9A1 TYR 279 HB2 0.04 0.03 -0.12 -0.04 3.06 2.98 1fc9A1 TYR 279 HB3 0.05 -0.10 0.06 -0.04 2.98 2.95 1fc9A1 TYR 279 HD2 0.02 -0.07 -0.14 -0.04 7.15 6.92 1fc9A1 TYR 279 HE2 -0.00 -0.02 -0.19 -0.04 6.85 6.60 1fc9A1 VAL 280 H -0.36 1.00 0.41 -0.55 8.24 8.74 1fc9A1 VAL 280 HA -0.26 0.21 1.20 -0.75 4.13 4.53 1fc9A1 VAL 280 HB -0.28 -0.02 0.15 -0.04 2.12 1.93 1fc9A1 VAL 280 HG13 -0.44 -0.01 -0.12 -0.04 0.97 0.37 1fc9A1 VAL 280 HG23 -0.45 -0.00 -0.21 -0.04 0.95 0.25 1fc9A1 ARG 281 H -0.27 0.75 0.36 -0.55 8.46 8.75 1fc9A1 ARG 281 HA -0.26 0.21 1.06 -0.75 4.34 4.59 1fc9A1 ARG 281 HB2 -0.08 0.00 -0.01 -0.04 1.90 1.77 1fc9A1 ARG 281 HB3 -0.04 -0.07 0.25 -0.04 1.80 1.89 1fc9A1 ARG 281 HG2 0.10 0.06 0.01 -0.04 1.67 1.79 1fc9A1 ARG 281 HG3 -0.02 -0.08 -0.12 -0.04 1.67 1.41 1fc9A1 ARG 281 HD2 -0.04 0.22 -0.02 -0.04 3.22 3.33 1fc9A1 ARG 281 HD3 0.11 -0.03 -0.00 -0.04 3.22 3.26 1fc9A1 LEU 282 H -0.15 0.64 0.19 -0.55 8.37 8.50 1fc9A1 LEU 282 HA -0.21 0.34 1.16 -0.75 4.35 4.88 1fc9A1 LEU 282 HB2 -0.31 -0.02 0.16 -0.04 1.64 1.43 1fc9A1 LEU 282 HB3 -0.52 -0.03 0.07 -0.04 1.64 1.12 1fc9A1 LEU 282 HG -0.16 0.03 -0.13 -0.04 1.64 1.34 1fc9A1 LEU 282 HD13 -0.13 -0.02 -0.08 -0.04 0.93 0.67 1fc9A1 LEU 282 HD23 -0.23 0.01 -0.24 -0.04 0.89 0.40 1fc9A1 ALA 283 H -0.12 0.48 0.17 -0.55 8.40 8.38 1fc9A1 ALA 283 HA -0.05 0.22 0.54 -0.75 4.34 4.30 1fc9A1 ALA 283 HB3 -0.04 0.02 0.07 -0.04 1.41 1.42 1fc9A1 THR 284 H -0.21 0.29 -0.00 -0.55 8.28 7.81 1fc9A1 THR 284 HA -0.05 0.05 0.60 -0.75 4.39 4.23 1fc9A1 THR 284 HB -0.03 0.05 -0.01 -0.04 4.32 4.30 1fc9A1 THR 284 HG23 -0.06 0.03 -0.49 -0.04 1.22 0.66 1fc9A1 PHE 285 H 0.10 0.13 -0.05 -0.55 8.34 7.97 1fc9A1 PHE 285 HA -0.03 0.21 1.09 -0.75 4.62 5.13 1fc9A1 PHE 285 HB2 -0.03 0.56 0.27 -0.04 3.15 3.91 1fc9A1 PHE 285 HB3 -0.04 -0.01 0.14 -0.04 3.06 3.11 1fc9A1 PHE 285 HD2 -0.05 -0.13 -0.16 -0.04 7.28 6.90 1fc9A1 PHE 285 HE2 -0.04 0.07 -0.15 -0.04 7.38 7.22 1fc9A1 PHE 285 HZ -0.04 0.07 -0.07 -0.04 7.32 7.24 1fc9A1 ASN 286 H -0.00 0.16 0.09 -0.55 8.53 8.23 1fc9A1 ASN 286 HA 0.05 0.23 0.86 -0.75 4.76 5.15 1fc9A1 ASN 286 HB2 0.01 -0.03 0.21 -0.04 2.88 3.03 1fc9A1 ASN 286 HB3 0.01 0.10 -0.12 -0.04 2.79 2.74 1fc9A1 ASN 286 HD21 -0.03 0.10 -0.06 -0.04 7.03 7.00 1fc9A1 ASN 286 HD22 -0.01 0.07 -0.10 -0.04 7.74 7.66 1fc9A1 SER 287 H 0.01 0.25 0.17 -0.55 8.46 8.35 1fc9A1 SER 287 HA 0.02 0.13 0.47 -0.75 4.49 4.36 1fc9A1 SER 287 HB2 0.01 0.07 0.14 -0.04 3.95 4.13 1fc9A1 SER 287 HB3 0.01 0.04 0.13 -0.04 3.93 4.07 1fc9A1 ASN 288 H -0.01 -0.00 -0.33 -0.55 8.53 7.64 1fc9A1 ASN 288 HA -0.01 0.24 0.83 -0.75 4.76 5.07 1fc9A1 ASN 288 HB2 -0.02 -0.04 0.04 -0.04 2.88 2.82 1fc9A1 ASN 288 HB3 -0.02 0.04 0.00 -0.04 2.79 2.77 1fc9A1 ASN 288 HD21 -0.01 0.06 0.01 -0.04 7.03 7.05 1fc9A1 ASN 288 HD22 -0.01 0.02 0.03 -0.04 7.74 7.74 1fc9A1 THR 289 H -0.02 0.09 -0.16 -0.55 8.28 7.64 1fc9A1 THR 289 HA -0.10 0.08 0.40 -0.75 4.39 4.02 1fc9A1 THR 289 HB 0.02 0.01 0.18 -0.04 4.32 4.48 1fc9A1 THR 289 HG23 -0.33 0.03 -0.06 -0.04 1.22 0.82 1fc9A1 THR 290 H 0.01 0.15 -0.17 -0.55 8.28 7.72 1fc9A1 THR 290 HA 0.02 0.07 0.28 -0.75 4.39 4.02 1fc9A1 THR 290 HB 0.01 0.02 0.04 -0.04 4.32 4.35 1fc9A1 THR 290 HG23 0.01 0.03 -0.14 -0.04 1.22 1.08 1fc9A1 ALA 291 H -0.00 0.14 -0.17 -0.55 8.40 7.82 1fc9A1 ALA 291 HA -0.00 0.07 0.40 -0.75 4.34 4.05 1fc9A1 ALA 291 HB3 -0.00 0.03 0.08 -0.04 1.41 1.47 1fc9A1 ALA 292 H -0.03 0.40 -0.15 -0.55 8.40 8.07 1fc9A1 ALA 292 HA -0.02 0.06 0.51 -0.75 4.34 4.14 1fc9A1 ALA 292 HB3 -0.03 0.01 0.08 -0.04 1.41 1.44 1fc9A1 ALA 293 H -0.07 0.69 -0.06 -0.55 8.40 8.41 1fc9A1 ALA 293 HA -0.30 0.01 0.34 -0.75 4.34 3.64 1fc9A1 ALA 293 HB3 -0.00 0.01 0.01 -0.04 1.41 1.38 1fc9A1 GLN 294 H -0.00 0.61 -0.10 -0.55 8.47 8.43 1fc9A1 GLN 294 HA 0.11 0.03 0.29 -0.75 4.36 4.04 1fc9A1 GLN 294 HB2 0.03 -0.00 0.08 -0.04 2.15 2.21 1fc9A1 GLN 294 HB3 0.00 0.10 0.22 -0.04 2.02 2.30 1fc9A1 GLN 294 HG2 0.01 -0.02 -0.21 -0.04 2.40 2.14 1fc9A1 GLN 294 HG3 0.01 -0.02 -0.04 -0.04 2.39 2.30 1fc9A1 GLN 294 HE21 -0.00 -0.03 -0.03 -0.04 6.97 6.86 1fc9A1 GLN 294 HE22 -0.00 -0.01 -0.17 -0.04 7.69 7.47 1fc9A1 GLN 295 H -0.05 0.50 -0.20 -0.55 8.47 8.17 1fc9A1 GLN 295 HA -0.05 0.01 0.37 -0.75 4.36 3.94 1fc9A1 GLN 295 HB2 -0.02 0.09 0.15 -0.04 2.15 2.33 1fc9A1 GLN 295 HB3 -0.04 0.11 0.09 -0.04 2.02 2.14 1fc9A1 GLN 295 HG2 -0.00 -0.04 0.08 -0.04 2.40 2.41 1fc9A1 GLN 295 HG3 0.02 -0.02 0.02 -0.04 2.39 2.36 1fc9A1 GLN 295 HE21 0.24 -0.01 -0.05 -0.04 6.97 7.11 1fc9A1 GLN 295 HE22 0.06 -0.01 0.00 -0.04 7.69 7.71 1fc9A1 ALA 296 H -0.30 0.44 -0.31 -0.55 8.40 7.69 1fc9A1 ALA 296 HA -1.38 -0.01 0.47 -0.75 4.34 2.66 1fc9A1 ALA 296 HB3 -0.82 0.02 0.05 -0.04 1.41 0.63 1fc9A1 PHE 297 H -0.28 0.63 -0.05 -0.55 8.34 8.09 1fc9A1 PHE 297 HA -0.17 0.01 0.35 -0.75 4.62 4.05 1fc9A1 PHE 297 HB2 -0.10 0.09 0.05 -0.04 3.15 3.15 1fc9A1 PHE 297 HB3 -0.08 -0.00 -0.06 -0.04 3.06 2.88 1fc9A1 PHE 297 HD2 -0.08 -0.01 -0.14 -0.04 7.28 7.00 1fc9A1 PHE 297 HE2 -0.06 -0.04 -0.11 -0.04 7.38 7.13 1fc9A1 PHE 297 HZ -0.06 -0.03 -0.09 -0.04 7.32 7.10 1fc9A1 THR 298 H -0.04 0.42 -0.36 -0.55 8.28 7.76 1fc9A1 THR 298 HA 0.01 0.10 0.42 -0.75 4.39 4.17 1fc9A1 THR 298 HB -0.03 0.07 0.16 -0.04 4.32 4.47 1fc9A1 THR 298 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.09 1fc9A1 GLU 299 H -0.12 0.48 -0.07 -0.55 8.60 8.34 1fc9A1 GLU 299 HA 0.01 0.03 0.37 -0.75 4.29 3.95 1fc9A1 GLU 299 HB2 -0.11 0.17 0.21 -0.04 2.09 2.32 1fc9A1 GLU 299 HB3 0.09 -0.02 -0.08 -0.04 1.99 1.95 1fc9A1 GLU 299 HG2 0.07 0.00 0.04 -0.04 2.34 2.41 1fc9A1 GLU 299 HG3 0.20 -0.03 0.00 -0.04 2.34 2.47 1fc9A1 LEU 300 H -0.13 0.58 -0.07 -0.55 8.37 8.21 1fc9A1 LEU 300 HA 0.05 -0.00 0.38 -0.75 4.35 4.03 1fc9A1 LEU 300 HB2 0.01 0.10 0.04 -0.04 1.64 1.75 1fc9A1 LEU 300 HB3 0.06 -0.05 -0.02 -0.04 1.64 1.59 1fc9A1 LEU 300 HG -0.17 0.10 0.06 -0.04 1.64 1.58 1fc9A1 LEU 300 HD13 -0.07 -0.02 -0.14 -0.04 0.93 0.65 1fc9A1 LEU 300 HD23 0.18 -0.02 -0.03 -0.04 0.89 0.98 1fc9A1 SER 301 H 0.02 0.54 -0.31 -0.55 8.46 8.17 1fc9A1 SER 301 HA 0.02 0.01 0.53 -0.75 4.49 4.31 1fc9A1 SER 301 HB2 0.03 0.07 0.14 -0.04 3.95 4.13 1fc9A1 SER 301 HB3 0.01 0.14 0.17 -0.04 3.93 4.21 1fc9A1 LYS 302 H 0.01 0.41 -0.25 -0.55 8.42 8.03 1fc9A1 LYS 302 HA 0.01 -0.01 0.43 -0.75 4.32 4.00 1fc9A1 LYS 302 HB2 0.01 0.05 0.17 -0.04 1.87 2.06 1fc9A1 LYS 302 HB3 0.02 0.32 0.30 -0.04 1.79 2.39 1fc9A1 LYS 302 HG2 0.02 -0.01 -0.16 -0.04 1.46 1.27 1fc9A1 LYS 302 HG3 0.01 -0.05 0.06 -0.04 1.46 1.45 1fc9A1 LYS 302 HD2 0.03 -0.03 -0.01 -0.04 1.69 1.64 1fc9A1 LYS 302 HD3 0.02 -0.06 -0.01 -0.04 1.68 1.58 1fc9A1 LYS 302 HE2 0.01 0.15 -0.05 -0.04 2.99 3.06 1fc9A1 LYS 302 HE3 0.02 -0.07 -0.05 -0.04 2.99 2.85 1fc9A1 GLN 303 H 0.03 0.29 -0.35 -0.55 8.47 7.89 1fc9A1 GLN 303 HA 0.03 0.05 0.46 -0.75 4.36 4.14 1fc9A1 GLN 303 HB2 0.05 0.05 0.04 -0.04 2.15 2.25 1fc9A1 GLN 303 HB3 0.04 -0.07 0.01 -0.04 2.02 1.95 1fc9A1 GLN 303 HG2 0.04 -0.03 -0.05 -0.04 2.40 2.31 1fc9A1 GLN 303 HG3 0.06 0.24 -0.04 -0.04 2.39 2.60 1fc9A1 GLN 303 HE21 0.12 -0.07 -0.08 -0.04 6.97 6.89 1fc9A1 GLN 303 HE22 0.11 0.01 -0.12 -0.04 7.69 7.65 1fc9A1 GLY 304 H 0.02 0.40 -0.64 -0.55 8.43 7.66 1fc9A1 GLY 304 HA2 0.01 0.04 0.34 -0.51 4.01 3.89 1fc9A1 GLY 304 HA3 0.01 -0.03 0.40 -0.51 4.01 3.88 1fc9A1 VAL 305 H 0.03 0.23 -0.07 -0.55 8.24 7.89 1fc9A1 VAL 305 HA 0.03 0.04 0.32 -0.75 4.13 3.76 1fc9A1 VAL 305 HB 0.06 -0.06 -0.10 -0.04 2.12 1.98 1fc9A1 VAL 305 HG13 0.06 0.02 -0.10 -0.04 0.97 0.90 1fc9A1 VAL 305 HG23 0.06 0.01 -0.11 -0.04 0.95 0.87 1fc9A1 ALA 306 H 0.02 0.49 0.30 -0.55 8.40 8.66 1fc9A1 ALA 306 HA -0.02 0.14 0.70 -0.75 4.34 4.41 1fc9A1 ALA 306 HB3 -0.04 -0.05 0.23 -0.04 1.41 1.52 1fc9A1 GLY 307 H 0.04 0.14 0.06 -0.55 8.43 8.12 1fc9A1 GLY 307 HA2 0.03 0.32 0.52 -0.51 4.01 4.38 1fc9A1 GLY 307 HA3 0.03 0.00 0.31 -0.51 4.01 3.84 1fc9A1 LEU 308 H 0.22 0.74 0.31 -0.55 8.37 9.09 1fc9A1 LEU 308 HA 0.15 0.22 1.07 -0.75 4.35 5.04 1fc9A1 LEU 308 HB2 0.13 0.06 0.07 -0.04 1.64 1.86 1fc9A1 LEU 308 HB3 0.18 -0.06 -0.09 -0.04 1.64 1.63 1fc9A1 LEU 308 HG 0.09 0.00 -0.33 -0.04 1.64 1.37 1fc9A1 LEU 308 HD13 0.05 0.03 -0.12 -0.04 0.93 0.85 1fc9A1 LEU 308 HD23 0.15 -0.02 -0.10 -0.04 0.89 0.88 1fc9A1 VAL 309 H 0.14 0.66 0.28 -0.55 8.24 8.77 1fc9A1 VAL 309 HA 0.06 0.25 0.86 -0.75 4.13 4.54 1fc9A1 VAL 309 HB 0.30 -0.10 0.22 -0.04 2.12 2.50 1fc9A1 VAL 309 HG13 0.15 -0.01 -0.12 -0.04 0.97 0.95 1fc9A1 VAL 309 HG23 0.14 0.03 -0.19 -0.04 0.95 0.89 1fc9A1 LEU 310 H 0.03 0.77 0.30 -0.55 8.37 8.92 1fc9A1 LEU 310 HA -0.08 0.18 0.94 -0.75 4.35 4.63 1fc9A1 LEU 310 HB2 0.16 0.01 0.02 -0.04 1.64 1.79 1fc9A1 LEU 310 HB3 0.06 0.07 0.15 -0.04 1.64 1.88 1fc9A1 LEU 310 HG 0.05 -0.06 -0.19 -0.04 1.64 1.39 1fc9A1 LEU 310 HD13 0.03 0.02 -0.04 -0.04 0.93 0.90 1fc9A1 LEU 310 HD23 0.14 0.00 -0.11 -0.04 0.89 0.88 1fc9A1 ASP 311 H -0.21 0.92 0.34 -0.55 8.40 8.91 1fc9A1 ASP 311 HA 0.02 0.07 1.01 -0.75 4.63 4.97 1fc9A1 ASP 311 HB2 0.08 0.02 -0.01 -0.04 2.71 2.76 1fc9A1 ASP 311 HB3 -0.13 -0.05 0.28 -0.04 2.70 2.76 1fc9A1 ILE 312 H 0.02 0.69 0.28 -0.55 8.25 8.69 1fc9A1 ILE 312 HA -0.00 0.41 1.01 -0.75 4.18 4.85 1fc9A1 ILE 312 HB 0.11 -0.13 0.22 -0.04 1.89 2.05 1fc9A1 ILE 312 HG12 0.04 0.08 -0.06 -0.04 1.49 1.52 1fc9A1 ILE 312 HG13 0.05 -0.00 -0.02 -0.04 1.21 1.20 1fc9A1 ILE 312 HG23 0.07 0.01 -0.12 -0.04 0.93 0.85 1fc9A1 ILE 312 HD13 0.08 -0.03 -0.05 -0.04 0.88 0.84 1fc9A1 ARG 313 H 0.03 0.06 -0.15 -0.55 8.46 7.86 1fc9A1 ARG 313 HA 0.04 -0.14 0.49 -0.75 4.34 3.97 1fc9A1 ARG 313 HB2 0.04 0.07 -0.04 -0.04 1.90 1.93 1fc9A1 ARG 313 HB3 0.03 -0.00 -0.06 -0.04 1.80 1.73 1fc9A1 ARG 313 HG2 0.03 -0.11 -0.39 -0.04 1.67 1.16 1fc9A1 ARG 313 HG3 0.04 0.01 -0.30 -0.04 1.67 1.37 1fc9A1 ARG 313 HD2 0.03 0.12 -0.01 -0.04 3.22 3.31 1fc9A1 ARG 313 HD3 0.03 0.00 -0.06 -0.04 3.22 3.15 1fc9A1 ASN 314 H 0.05 -0.09 -0.03 -0.55 8.53 7.92 1fc9A1 ASN 314 HA 0.05 -0.04 0.19 -0.75 4.76 4.21 1fc9A1 ASN 314 HB2 0.02 0.15 -0.30 -0.04 2.88 2.72 1fc9A1 ASN 314 HB3 0.03 0.06 0.20 -0.04 2.79 3.03 1fc9A1 ASN 314 HD21 0.03 0.02 -0.05 -0.04 7.03 6.99 1fc9A1 ASN 314 HD22 0.02 0.06 -0.12 -0.04 7.74 7.66 1fc9A1 ASN 315 H 0.05 0.15 -0.40 -0.55 8.53 7.79 1fc9A1 ASN 315 HA 0.02 0.32 0.94 -0.75 4.76 5.28 1fc9A1 ASN 315 HB2 0.01 0.26 -0.13 -0.04 2.88 2.98 1fc9A1 ASN 315 HB3 0.09 0.02 0.12 -0.04 2.79 2.98 1fc9A1 ASN 315 HD21 -0.50 -0.21 -0.52 -0.04 7.03 5.76 1fc9A1 ASN 315 HD22 -0.21 0.57 -0.26 -0.04 7.74 7.80 1fc9A1 GLY 316 H 0.01 0.25 0.04 -0.55 8.43 8.18 1fc9A1 GLY 316 HA2 -0.05 0.15 0.34 -0.51 4.01 3.94 1fc9A1 GLY 316 HA3 -0.03 -0.01 0.25 -0.51 4.01 3.70 1fc9A1 GLY 317 H 0.13 0.10 -0.52 -0.55 8.43 7.59 1fc9A1 GLY 317 HA2 0.08 -0.07 0.37 -0.51 4.01 3.88 1fc9A1 GLY 317 HA3 -0.01 0.09 0.75 -0.51 4.01 4.33 1fc9A1 GLY 318 H 0.02 0.31 -0.28 -0.55 8.43 7.93 1fc9A1 GLY 318 HA2 0.03 0.05 0.35 -0.51 4.01 3.92 1fc9A1 GLY 318 HA3 0.07 0.10 0.42 -0.51 4.01 4.09 1fc9A1 LEU 319 H 0.12 0.68 0.45 -0.55 8.37 9.08 1fc9A1 LEU 319 HA 0.06 0.09 0.73 -0.75 4.35 4.48 1fc9A1 LEU 319 HB2 0.06 0.03 0.11 -0.04 1.64 1.80 1fc9A1 LEU 319 HB3 0.10 -0.06 -0.04 -0.04 1.64 1.60 1fc9A1 LEU 319 HG 0.02 -0.21 -0.18 -0.04 1.64 1.23 1fc9A1 LEU 319 HD13 0.05 0.03 0.01 -0.04 0.93 0.98 1fc9A1 LEU 319 HD23 0.04 0.04 -0.23 -0.04 0.89 0.69 1fc9A1 PHE 320 H 0.16 0.26 0.22 -0.55 8.34 8.42 1fc9A1 PHE 320 HA -0.24 0.00 0.30 -0.75 4.62 3.92 1fc9A1 PHE 320 HB2 -0.03 0.03 0.10 -0.04 3.15 3.21 1fc9A1 PHE 320 HB3 -0.06 0.05 0.14 -0.04 3.06 3.14 1fc9A1 PHE 320 HD2 -0.33 -0.01 -0.08 -0.04 7.28 6.82 1fc9A1 PHE 320 HE2 -0.74 0.03 -0.12 -0.04 7.38 6.52 1fc9A1 PHE 320 HZ -0.75 0.04 -0.15 -0.04 7.32 6.42 1fc9A1 PRO 321 HA -0.50 0.10 0.43 -0.51 4.44 3.96 1fc9A1 PRO 321 HB2 -0.05 0.03 -0.08 -0.04 2.28 2.15 1fc9A1 PRO 321 HB3 -0.06 0.09 0.06 -0.04 2.02 2.07 1fc9A1 PRO 321 HG2 0.03 0.06 0.01 -0.04 2.03 2.09 1fc9A1 PRO 321 HG3 0.08 0.11 0.03 -0.04 2.03 2.21 1fc9A1 PRO 321 HD2 0.07 -0.01 -0.08 -0.04 3.68 3.62 1fc9A1 PRO 321 HD3 0.28 0.15 0.10 -0.04 3.65 4.14 1fc9A1 ALA 322 H -0.07 0.24 -0.37 -0.55 8.40 7.66 1fc9A1 ALA 322 HA 0.01 0.02 0.41 -0.75 4.34 4.03 1fc9A1 ALA 322 HB3 0.23 0.05 0.07 -0.04 1.41 1.71 1fc9A1 GLY 323 H -0.39 0.36 -0.11 -0.55 8.43 7.74 1fc9A1 GLY 323 HA2 -0.75 0.03 0.38 -0.51 4.01 3.16 1fc9A1 GLY 323 HA3 -0.75 0.08 0.30 -0.51 4.01 3.13 1fc9A1 VAL 324 H -0.61 0.43 -0.18 -0.55 8.24 7.33 1fc9A1 VAL 324 HA -0.29 0.04 0.36 -0.75 4.13 3.49 1fc9A1 VAL 324 HB -0.51 0.09 0.11 -0.04 2.12 1.77 1fc9A1 VAL 324 HG13 -0.12 0.00 -0.19 -0.04 0.97 0.62 1fc9A1 VAL 324 HG23 -1.06 0.01 -0.07 -0.04 0.95 -0.21 1fc9A1 ASN 325 H -0.16 0.57 -0.08 -0.55 8.53 8.31 1fc9A1 ASN 325 HA -0.05 0.04 0.37 -0.75 4.76 4.36 1fc9A1 ASN 325 HB2 -0.01 -0.01 0.14 -0.04 2.88 2.96 1fc9A1 ASN 325 HB3 -0.01 -0.01 -0.02 -0.04 2.79 2.71 1fc9A1 ASN 325 HD21 -0.02 -0.03 -0.08 -0.04 7.03 6.86 1fc9A1 ASN 325 HD22 -0.01 -0.11 -0.03 -0.04 7.74 7.54 1fc9A1 VAL 326 H 0.01 0.60 -0.21 -0.55 8.24 8.10 1fc9A1 VAL 326 HA 0.07 0.02 0.40 -0.75 4.13 3.87 1fc9A1 VAL 326 HB 0.19 0.10 0.10 -0.04 2.12 2.47 1fc9A1 VAL 326 HG13 0.20 -0.00 -0.17 -0.04 0.97 0.95 1fc9A1 VAL 326 HG23 0.19 -0.01 -0.04 -0.04 0.95 1.04 1fc9A1 ALA 327 H -0.07 0.49 -0.17 -0.55 8.40 8.10 1fc9A1 ALA 327 HA -0.06 0.04 0.34 -0.75 4.34 3.91 1fc9A1 ALA 327 HB3 -0.08 0.01 0.03 -0.04 1.41 1.33 1fc9A1 ARG 328 H -0.06 0.54 -0.30 -0.55 8.46 8.09 1fc9A1 ARG 328 HA -0.04 0.07 0.37 -0.75 4.34 3.98 1fc9A1 ARG 328 HB2 -0.03 0.13 0.04 -0.04 1.90 1.99 1fc9A1 ARG 328 HB3 -0.03 -0.11 -0.03 -0.04 1.80 1.59 1fc9A1 ARG 328 HG2 -0.02 -0.15 0.01 -0.04 1.67 1.47 1fc9A1 ARG 328 HG3 -0.04 0.11 -0.06 -0.04 1.67 1.64 1fc9A1 ARG 328 HD2 -0.02 -0.03 -0.12 -0.04 3.22 3.01 1fc9A1 ARG 328 HD3 -0.01 -0.07 -0.02 -0.04 3.22 3.08 1fc9A1 MET 329 H -0.06 0.34 -0.55 -0.55 8.47 7.66 1fc9A1 MET 329 HA -0.07 0.09 0.43 -0.75 4.52 4.22 1fc9A1 MET 329 HB2 -0.16 0.20 0.06 -0.04 2.15 2.20 1fc9A1 MET 329 HB3 -0.15 -0.12 0.01 -0.04 2.03 1.73 1fc9A1 MET 329 HG2 0.00 -0.01 -0.02 -0.04 2.63 2.56 1fc9A1 MET 329 HG3 0.00 0.35 0.09 -0.04 2.56 2.96 1fc9A1 MET 329 HE3 0.05 0.00 -0.09 -0.04 2.10 2.02 1fc9A1 LEU 330 H -0.13 0.34 -0.39 -0.55 8.37 7.65 1fc9A1 LEU 330 HA -0.21 0.29 0.84 -0.75 4.35 4.52 1fc9A1 LEU 330 HB2 -0.14 0.02 0.06 -0.04 1.64 1.54 1fc9A1 LEU 330 HB3 -0.16 0.03 -0.02 -0.04 1.64 1.45 1fc9A1 LEU 330 HG -0.49 -0.08 -0.19 -0.04 1.64 0.84 1fc9A1 LEU 330 HD13 -0.21 -0.03 -0.12 -0.04 0.93 0.54 1fc9A1 LEU 330 HD23 -0.70 0.03 -0.05 -0.04 0.89 0.13 1fc9A1 VAL 331 H -0.08 0.54 0.09 -0.55 8.24 8.24 1fc9A1 VAL 331 HA -0.05 0.17 0.85 -0.75 4.13 4.34 1fc9A1 VAL 331 HB -0.04 -0.06 0.02 -0.04 2.12 2.00 1fc9A1 VAL 331 HG13 -0.03 -0.01 -0.05 -0.04 0.97 0.84 1fc9A1 VAL 331 HG23 -0.05 0.02 -0.11 -0.04 0.95 0.77 1fc9A1 ASP 332 H -0.03 0.23 0.10 -0.55 8.40 8.14 1fc9A1 ASP 332 HA -0.03 0.20 0.84 -0.75 4.63 4.89 1fc9A1 ASP 332 HB2 -0.02 0.02 0.13 -0.04 2.71 2.80 1fc9A1 ASP 332 HB3 -0.04 0.02 -0.09 -0.04 2.70 2.55 1fc9A1 ARG 333 H -0.02 0.33 -0.04 -0.55 8.46 8.17 1fc9A1 ARG 333 HA -0.01 0.05 0.37 -0.75 4.34 4.00 1fc9A1 ARG 333 HB2 -0.01 -0.06 0.10 -0.04 1.90 1.89 1fc9A1 ARG 333 HB3 -0.01 0.11 -0.20 -0.04 1.80 1.65 1fc9A1 ARG 333 HG2 -0.01 -0.03 -0.06 -0.04 1.67 1.53 1fc9A1 ARG 333 HG3 -0.01 -0.00 -0.27 -0.04 1.67 1.35 1fc9A1 ARG 333 HD2 -0.01 0.04 -0.05 -0.04 3.22 3.16 1fc9A1 ARG 333 HD3 -0.01 -0.02 -0.06 -0.04 3.22 3.09 1fc9A1 GLY 334 H -0.01 0.10 0.11 -0.55 8.43 8.08 1fc9A1 GLY 334 HA2 -0.01 -0.00 0.35 -0.51 4.01 3.84 1fc9A1 GLY 334 HA3 -0.01 0.25 0.71 -0.51 4.01 4.46 1fc9A1 ASP 335 H -0.00 0.15 0.16 -0.55 8.40 8.16 1fc9A1 ASP 335 HA 0.01 0.02 0.62 -0.75 4.63 4.53 1fc9A1 ASP 335 HB2 0.01 0.05 0.09 -0.04 2.71 2.82 1fc9A1 ASP 335 HB3 0.02 -0.00 -0.04 -0.04 2.70 2.64 1fc9A1 LEU 336 H 0.05 0.57 0.43 -0.55 8.37 8.87 1fc9A1 LEU 336 HA 0.00 0.23 0.94 -0.75 4.35 4.77 1fc9A1 LEU 336 HB2 0.05 0.01 -0.03 -0.04 1.64 1.63 1fc9A1 LEU 336 HB3 -0.02 -0.04 -0.06 -0.04 1.64 1.47 1fc9A1 LEU 336 HG 0.01 -0.12 -0.26 -0.04 1.64 1.23 1fc9A1 LEU 336 HD13 -0.02 -0.02 -0.34 -0.04 0.93 0.51 1fc9A1 LEU 336 HD23 -0.02 0.07 -0.32 -0.04 0.89 0.57 1fc9A1 VAL 337 H 0.11 0.34 0.29 -0.55 8.24 8.43 1fc9A1 VAL 337 HA 0.07 0.20 0.59 -0.75 4.13 4.24 1fc9A1 VAL 337 HB 0.03 0.17 -0.21 -0.04 2.12 2.07 1fc9A1 VAL 337 HG13 0.22 -0.04 -0.13 -0.04 0.97 0.99 1fc9A1 VAL 337 HG23 0.15 0.02 -0.08 -0.04 0.95 1.00 1fc9A1 LEU 338 H 0.09 0.67 0.22 -0.55 8.37 8.81 1fc9A1 LEU 338 HA 0.09 0.18 1.04 -0.75 4.35 4.90 1fc9A1 LEU 338 HB2 0.03 -0.06 -0.02 -0.04 1.64 1.55 1fc9A1 LEU 338 HB3 0.02 0.03 0.07 -0.04 1.64 1.72 1fc9A1 LEU 338 HG 0.04 0.12 -0.19 -0.04 1.64 1.57 1fc9A1 LEU 338 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 1fc9A1 LEU 338 HD23 0.03 -0.00 -0.19 -0.04 0.89 0.68 1fc9A1 ILE 339 H 0.05 0.65 0.27 -0.55 8.25 8.66 1fc9A1 ILE 339 HA -0.04 0.20 0.89 -0.75 4.18 4.48 1fc9A1 ILE 339 HB -0.01 -0.11 0.21 -0.04 1.89 1.95 1fc9A1 ILE 339 HG12 0.21 0.02 -0.31 -0.04 1.49 1.37 1fc9A1 ILE 339 HG13 0.14 0.01 -0.15 -0.04 1.21 1.18 1fc9A1 ILE 339 HG23 -0.14 0.01 -0.10 -0.04 0.93 0.66 1fc9A1 ILE 339 HD13 0.09 0.02 -0.36 -0.04 0.88 0.59 1fc9A1 ALA 340 H -0.09 0.69 0.33 -0.55 8.40 8.78 1fc9A1 ALA 340 HA -0.07 0.21 1.11 -0.75 4.34 4.84 1fc9A1 ALA 340 HB3 -0.06 0.02 -0.06 -0.04 1.41 1.27 1fc9A1 ASP 341 H -0.09 0.49 0.36 -0.55 8.40 8.61 1fc9A1 ASP 341 HA -0.16 0.09 0.67 -0.75 4.63 4.48 1fc9A1 ASP 341 HB2 -0.20 0.15 0.37 -0.04 2.71 2.99 1fc9A1 ASP 341 HB3 -0.16 0.16 0.07 -0.04 2.70 2.73 1fc9A1 SER 342 H -0.19 0.69 0.38 -0.55 8.46 8.80 1fc9A1 SER 342 HA -0.11 0.10 0.42 -0.75 4.49 4.15 1fc9A1 SER 342 HB2 -0.11 0.02 0.21 -0.04 3.95 4.02 1fc9A1 SER 342 HB3 -0.17 -0.03 0.32 -0.04 3.93 4.01 1fc9A1 GLN 343 H -0.11 -0.01 -0.43 -0.55 8.47 7.37 1fc9A1 GLN 343 HA -0.06 0.13 0.67 -0.75 4.36 4.35 1fc9A1 GLN 343 HB2 -0.07 0.00 0.03 -0.04 2.15 2.08 1fc9A1 GLN 343 HB3 -0.07 -0.00 0.01 -0.04 2.02 1.92 1fc9A1 GLN 343 HG2 -0.04 0.02 -0.28 -0.04 2.40 2.05 1fc9A1 GLN 343 HG3 -0.04 -0.01 0.04 -0.04 2.39 2.34 1fc9A1 GLN 343 HE21 -0.03 -0.01 -0.03 -0.04 6.97 6.86 1fc9A1 GLN 343 HE22 -0.03 0.03 -0.11 -0.04 7.69 7.54 1fc9A1 GLY 344 H -0.07 0.18 0.03 -0.55 8.43 8.03 1fc9A1 GLY 344 HA2 -0.04 0.05 0.28 -0.51 4.01 3.79 1fc9A1 GLY 344 HA3 -0.04 0.12 0.55 -0.51 4.01 4.13 1fc9A1 ILE 345 H -0.03 0.16 0.16 -0.55 8.25 7.99 1fc9A1 ILE 345 HA -0.04 0.07 0.67 -0.75 4.18 4.13 1fc9A1 ILE 345 HB -0.02 0.01 0.14 -0.04 1.89 1.97 1fc9A1 ILE 345 HG12 -0.01 -0.00 -0.04 -0.04 1.49 1.39 1fc9A1 ILE 345 HG13 -0.02 -0.07 0.00 -0.04 1.21 1.07 1fc9A1 ILE 345 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1fc9A1 ILE 345 HD13 -0.01 0.02 -0.00 -0.04 0.88 0.84 1fc9A1 ARG 346 H -0.04 0.84 0.58 -0.55 8.46 9.29 1fc9A1 ARG 346 HA -0.04 0.17 0.87 -0.75 4.34 4.59 1fc9A1 ARG 346 HB2 -0.06 -0.02 -0.02 -0.04 1.90 1.76 1fc9A1 ARG 346 HB3 -0.05 -0.02 0.06 -0.04 1.80 1.76 1fc9A1 ARG 346 HG2 -0.07 0.01 -0.00 -0.04 1.67 1.56 1fc9A1 ARG 346 HG3 -0.08 0.03 -0.07 -0.04 1.67 1.51 1fc9A1 ARG 346 HD2 -0.05 0.06 -0.61 -0.04 3.22 2.57 1fc9A1 ARG 346 HD3 -0.07 -0.12 -0.12 -0.04 3.22 2.87 1fc9A1 ASP 347 H -0.03 0.30 0.38 -0.55 8.40 8.51 1fc9A1 ASP 347 HA -0.06 0.17 0.58 -0.75 4.63 4.56 1fc9A1 ASP 347 HB2 -0.03 0.04 -0.37 -0.04 2.71 2.32 1fc9A1 ASP 347 HB3 0.02 -0.09 -0.07 -0.04 2.70 2.52 1fc9A1 ILE 348 H -0.20 0.36 0.24 -0.55 8.25 8.10 1fc9A1 ILE 348 HA 0.06 0.18 0.91 -0.75 4.18 4.58 1fc9A1 ILE 348 HB -0.02 0.02 -0.20 -0.04 1.89 1.65 1fc9A1 ILE 348 HG12 0.00 -0.04 -0.22 -0.04 1.49 1.18 1fc9A1 ILE 348 HG13 0.04 0.14 0.08 -0.04 1.21 1.44 1fc9A1 ILE 348 HG23 -0.08 -0.01 -0.13 -0.04 0.93 0.66 1fc9A1 ILE 348 HD13 -0.00 -0.01 -0.08 -0.04 0.88 0.75 1fc9A1 TYR 349 H 0.20 0.73 0.34 -0.55 8.29 9.01 1fc9A1 TYR 349 HA 0.03 0.17 0.86 -0.75 4.56 4.88 1fc9A1 TYR 349 HB2 0.08 -0.05 0.11 -0.04 3.06 3.16 1fc9A1 TYR 349 HB3 -0.00 0.06 -0.01 -0.04 2.98 2.99 1fc9A1 TYR 349 HD2 0.11 0.03 -0.14 -0.04 7.15 7.12 1fc9A1 TYR 349 HE2 0.11 -0.01 -0.11 -0.04 6.85 6.80 1fc9A1 SER 350 H 0.03 0.24 0.10 -0.55 8.46 8.28 1fc9A1 SER 350 HA 0.03 0.05 1.08 -0.75 4.49 4.89 1fc9A1 SER 350 HB2 -0.01 0.00 -0.03 -0.04 3.95 3.87 1fc9A1 SER 350 HB3 -0.00 0.15 -0.01 -0.04 3.93 4.03 1fc9A1 ALA 351 H 0.00 0.72 0.13 -0.55 8.40 8.71 1fc9A1 ALA 351 HA -0.01 0.04 0.30 -0.75 4.34 3.92 1fc9A1 ALA 351 HB3 -0.01 -0.00 -0.26 -0.04 1.41 1.10 1fc9A1 ASP 352 H -0.01 0.16 0.14 -0.55 8.40 8.14 1fc9A1 ASP 352 HA -0.01 0.29 1.06 -0.75 4.63 5.22 1fc9A1 ASP 352 HB2 -0.00 -0.00 0.19 -0.04 2.71 2.85 1fc9A1 ASP 352 HB3 0.00 0.05 0.04 -0.04 2.70 2.75 1fc9A1 GLY 353 H -0.02 0.09 -0.16 -0.55 8.43 7.80 1fc9A1 GLY 353 HA2 -0.02 0.33 0.46 -0.51 4.01 4.28 1fc9A1 GLY 353 HA3 -0.01 0.08 0.44 -0.51 4.01 4.02 1fc9A1 ASN 354 H -0.01 0.00 -0.71 -0.55 8.53 7.27 1fc9A1 ASN 354 HA -0.02 0.17 0.66 -0.75 4.76 4.82 1fc9A1 ASN 354 HB2 -0.01 -0.07 0.07 -0.04 2.88 2.83 1fc9A1 ASN 354 HB3 -0.01 0.01 0.09 -0.04 2.79 2.84 1fc9A1 ASN 354 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.98 1fc9A1 ASN 354 HD22 -0.01 -0.06 0.01 -0.04 7.74 7.64 1fc9A1 SER 355 H -0.03 0.28 -0.24 -0.55 8.46 7.92 1fc9A1 SER 355 HA -0.05 0.19 0.50 -0.75 4.49 4.37 1fc9A1 SER 355 HB2 -0.08 0.10 -0.24 -0.04 3.95 3.69 1fc9A1 SER 355 HB3 -0.06 0.08 -0.49 -0.04 3.93 3.43 1fc9A1 ILE 356 H -0.10 0.76 0.35 -0.55 8.25 8.72 1fc9A1 ILE 356 HA -0.02 0.16 0.88 -0.75 4.18 4.43 1fc9A1 ILE 356 HB -0.10 0.04 0.08 -0.04 1.89 1.87 1fc9A1 ILE 356 HG12 -0.01 -0.03 0.02 -0.04 1.49 1.43 1fc9A1 ILE 356 HG13 0.05 -0.04 0.01 -0.04 1.21 1.20 1fc9A1 ILE 356 HG23 0.03 -0.03 -0.28 -0.04 0.93 0.61 1fc9A1 ILE 356 HD13 -0.00 0.02 -0.19 -0.04 0.88 0.67 1fc9A1 ASP 357 H -0.14 0.49 0.21 -0.55 8.40 8.41 1fc9A1 ASP 357 HA -0.05 0.06 0.70 -0.75 4.63 4.58 1fc9A1 ASP 357 HB2 -0.05 0.09 -0.17 -0.04 2.71 2.55 1fc9A1 ASP 357 HB3 -0.17 0.01 0.07 -0.04 2.70 2.56 1fc9A1 SER 358 H -0.05 0.10 0.08 -0.55 8.46 8.05 1fc9A1 SER 358 HA -0.07 0.50 1.03 -0.75 4.49 5.21 1fc9A1 SER 358 HB2 -0.04 0.00 0.12 -0.04 3.95 4.00 1fc9A1 SER 358 HB3 -0.05 -0.05 -0.12 -0.04 3.93 3.67 1fc9A1 ALA 359 H -0.03 -0.10 0.02 -0.55 8.40 7.74 1fc9A1 ALA 359 HA -0.02 0.33 1.10 -0.75 4.34 5.00 1fc9A1 ALA 359 HB3 -0.02 -0.02 0.00 -0.04 1.41 1.33 1fc9A1 THR 360 H -0.02 -0.08 0.00 -0.55 8.28 7.63 1fc9A1 THR 360 HA -0.01 0.13 0.45 -0.75 4.39 4.20 1fc9A1 THR 360 HB 0.02 -0.06 -0.08 -0.04 4.32 4.15 1fc9A1 THR 360 HG23 0.03 0.06 -0.30 -0.04 1.22 0.97 1fc9A1 PRO 361 HA 0.05 0.11 0.48 -0.51 4.44 4.56 1fc9A1 PRO 361 HB2 -0.26 -0.05 0.18 -0.04 2.28 2.11 1fc9A1 PRO 361 HB3 -0.08 0.00 0.16 -0.04 2.02 2.06 1fc9A1 PRO 361 HG2 -0.15 0.07 0.16 -0.04 2.03 2.08 1fc9A1 PRO 361 HG3 -0.07 0.03 0.15 -0.04 2.03 2.10 1fc9A1 PRO 361 HD2 -0.05 0.27 0.27 -0.04 3.68 4.13 1fc9A1 PRO 361 HD3 -0.03 0.17 0.30 -0.04 3.65 4.04 1fc9A1 LEU 362 H 0.17 0.27 0.31 -0.55 8.37 8.58 1fc9A1 LEU 362 HA 0.20 0.17 0.94 -0.75 4.35 4.91 1fc9A1 LEU 362 HB2 0.04 0.08 -0.07 -0.04 1.64 1.65 1fc9A1 LEU 362 HB3 0.05 0.22 0.13 -0.04 1.64 2.01 1fc9A1 LEU 362 HG 0.03 -0.05 -0.47 -0.04 1.64 1.11 1fc9A1 LEU 362 HD13 0.06 -0.02 -0.14 -0.04 0.93 0.79 1fc9A1 LEU 362 HD23 -0.03 -0.01 -0.24 -0.04 0.89 0.58 1fc9A1 VAL 363 H 0.06 0.74 0.39 -0.55 8.24 8.87 1fc9A1 VAL 363 HA -0.11 0.21 0.85 -0.75 4.13 4.33 1fc9A1 VAL 363 HB -1.03 0.03 -0.17 -0.04 2.12 0.92 1fc9A1 VAL 363 HG13 -0.36 0.01 -0.03 -0.04 0.97 0.55 1fc9A1 VAL 363 HG23 -0.27 -0.00 -0.18 -0.04 0.95 0.45 1fc9A1 VAL 364 H -0.05 0.65 0.31 -0.55 8.24 8.59 1fc9A1 VAL 364 HA 0.00 0.21 1.20 -0.75 4.13 4.79 1fc9A1 VAL 364 HB -0.00 -0.07 0.14 -0.04 2.12 2.15 1fc9A1 VAL 364 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.76 1fc9A1 VAL 364 HG23 0.01 0.03 -0.21 -0.04 0.95 0.74 1fc9A1 LEU 365 H 0.01 0.80 0.38 -0.55 8.37 9.01 1fc9A1 LEU 365 HA -0.00 0.31 0.67 -0.75 4.35 4.58 1fc9A1 LEU 365 HB2 0.05 -0.23 0.21 -0.04 1.64 1.63 1fc9A1 LEU 365 HB3 0.03 0.05 0.04 -0.04 1.64 1.72 1fc9A1 LEU 365 HG 0.05 0.01 -0.16 -0.04 1.64 1.50 1fc9A1 LEU 365 HD13 0.14 -0.00 -0.10 -0.04 0.93 0.92 1fc9A1 LEU 365 HD23 -0.01 0.01 -0.21 -0.04 0.89 0.63 1fc9A1 VAL 366 H 0.01 0.72 0.46 -0.55 8.24 8.89 1fc9A1 VAL 366 HA 0.03 0.08 0.84 -0.75 4.13 4.33 1fc9A1 VAL 366 HB 0.03 -0.09 0.06 -0.04 2.12 2.09 1fc9A1 VAL 366 HG13 0.02 0.02 -0.36 -0.04 0.97 0.62 1fc9A1 VAL 366 HG23 0.01 0.08 -0.26 -0.04 0.95 0.74 1fc9A1 ASN 367 H 0.04 0.11 0.24 -0.55 8.53 8.38 1fc9A1 ASN 367 HA 0.02 0.31 0.66 -0.75 4.76 4.99 1fc9A1 ASN 367 HB2 0.02 -0.02 0.26 -0.04 2.88 3.10 1fc9A1 ASN 367 HB3 0.02 0.19 -0.08 -0.04 2.79 2.89 1fc9A1 ASN 367 HD21 0.03 0.03 -0.02 -0.04 7.03 7.03 1fc9A1 ASN 367 HD22 0.03 0.16 -0.00 -0.04 7.74 7.89 1fc9A1 ARG 368 H 0.02 0.17 0.17 -0.55 8.46 8.27 1fc9A1 ARG 368 HA 0.03 0.25 0.38 -0.75 4.34 4.24 1fc9A1 ARG 368 HB2 -0.09 0.05 0.05 -0.04 1.90 1.87 1fc9A1 ARG 368 HB3 -0.03 0.09 0.10 -0.04 1.80 1.93 1fc9A1 ARG 368 HG2 0.01 -0.14 0.13 -0.04 1.67 1.63 1fc9A1 ARG 368 HG3 0.02 0.04 -0.09 -0.04 1.67 1.59 1fc9A1 ARG 368 HD2 -0.02 0.13 0.01 -0.04 3.22 3.29 1fc9A1 ARG 368 HD3 -0.04 0.03 0.02 -0.04 3.22 3.19 1fc9A1 GLY 369 H 0.08 -0.01 -0.29 -0.55 8.43 7.66 1fc9A1 GLY 369 HA2 0.28 0.23 0.50 -0.51 4.01 4.51 1fc9A1 GLY 369 HA3 0.11 -0.02 0.32 -0.51 4.01 3.91 1fc9A1 THR 370 H 0.11 0.65 -0.21 -0.55 8.28 8.28 1fc9A1 THR 370 HA 0.07 0.17 0.69 -0.75 4.39 4.57 1fc9A1 THR 370 HB 0.07 0.17 0.30 -0.04 4.32 4.81 1fc9A1 THR 370 HG23 0.05 -0.01 -0.15 -0.04 1.22 1.08 1fc9A1 ALA 371 H 0.04 0.64 0.30 -0.55 8.40 8.83 1fc9A1 ALA 371 HA 0.06 0.03 0.90 -0.75 4.34 4.58 1fc9A1 ALA 371 HB3 -0.17 0.03 -0.07 -0.04 1.41 1.17 1fc9A1 SER 372 H 0.00 0.16 0.21 -0.55 8.46 8.28 1fc9A1 SER 372 HA 0.02 0.26 0.43 -0.75 4.49 4.44 1fc9A1 SER 372 HB2 -0.04 0.06 0.08 -0.04 3.95 4.01 1fc9A1 SER 372 HB3 -0.03 0.19 -0.01 -0.04 3.93 4.04 1fc9A1 ALA 373 H -0.08 0.17 0.16 -0.55 8.40 8.10 1fc9A1 ALA 373 HA -0.30 0.04 0.35 -0.75 4.34 3.67 1fc9A1 ALA 373 HB3 -0.32 0.05 -0.10 -0.04 1.41 1.00 1fc9A1 SER 374 H -0.09 0.49 -0.22 -0.55 8.46 8.09 1fc9A1 SER 374 HA -0.11 0.09 0.46 -0.75 4.49 4.18 1fc9A1 SER 374 HB2 0.05 -0.03 0.05 -0.04 3.95 3.98 1fc9A1 SER 374 HB3 0.12 0.06 0.02 -0.04 3.93 4.09 1fc9A1 GLU 375 H -0.06 0.20 -0.64 -0.55 8.60 7.56 1fc9A1 GLU 375 HA -0.01 0.08 0.39 -0.75 4.29 4.00 1fc9A1 GLU 375 HB2 -0.02 0.12 -0.07 -0.04 2.09 2.08 1fc9A1 GLU 375 HB3 0.00 0.01 -0.14 -0.04 1.99 1.81 1fc9A1 GLU 375 HG2 0.04 0.07 -0.14 -0.04 2.34 2.28 1fc9A1 GLU 375 HG3 0.04 -0.12 -0.41 -0.04 2.34 1.81 1fc9A1 VAL 376 H -0.19 0.50 -0.23 -0.55 8.24 7.77 1fc9A1 VAL 376 HA -0.13 0.04 0.33 -0.75 4.13 3.62 1fc9A1 VAL 376 HB -0.33 0.10 0.07 -0.04 2.12 1.92 1fc9A1 VAL 376 HG13 -0.16 0.01 -0.23 -0.04 0.97 0.55 1fc9A1 VAL 376 HG23 -0.71 0.02 -0.10 -0.04 0.95 0.11 1fc9A1 LEU 377 H -0.22 0.40 -0.36 -0.55 8.37 7.65 1fc9A1 LEU 377 HA -0.12 0.04 0.26 -0.75 4.35 3.77 1fc9A1 LEU 377 HB2 -0.22 -0.01 0.11 -0.04 1.64 1.47 1fc9A1 LEU 377 HB3 -0.06 0.16 0.15 -0.04 1.64 1.86 1fc9A1 LEU 377 HG 0.03 0.03 -0.29 -0.04 1.64 1.36 1fc9A1 LEU 377 HD13 -0.02 0.01 -0.08 -0.04 0.93 0.80 1fc9A1 LEU 377 HD23 0.27 -0.01 -0.07 -0.04 0.89 1.04 1fc9A1 ALA 378 H -0.03 0.52 -0.09 -0.55 8.40 8.24 1fc9A1 ALA 378 HA -0.00 0.05 0.34 -0.75 4.34 3.97 1fc9A1 ALA 378 HB3 0.00 0.00 0.01 -0.04 1.41 1.39 1fc9A1 GLY 379 H -0.03 0.66 -0.25 -0.55 8.43 8.26 1fc9A1 GLY 379 HA2 -0.01 -0.02 0.35 -0.51 4.01 3.83 1fc9A1 GLY 379 HA3 -0.02 0.03 0.29 -0.51 4.01 3.80 1fc9A1 ALA 380 H -0.04 0.56 -0.17 -0.55 8.40 8.20 1fc9A1 ALA 380 HA -0.02 0.03 0.60 -0.75 4.34 4.20 1fc9A1 ALA 380 HB3 -0.04 0.04 0.15 -0.04 1.41 1.52 1fc9A1 LEU 381 H -0.03 0.55 -0.12 -0.55 8.37 8.23 1fc9A1 LEU 381 HA -0.02 0.02 0.35 -0.75 4.35 3.94 1fc9A1 LEU 381 HB2 -0.01 0.05 0.03 -0.04 1.64 1.67 1fc9A1 LEU 381 HB3 -0.01 -0.02 -0.08 -0.04 1.64 1.49 1fc9A1 LEU 381 HG -0.03 0.14 -0.01 -0.04 1.64 1.70 1fc9A1 LEU 381 HD13 0.00 -0.03 -0.19 -0.04 0.93 0.68 1fc9A1 LEU 381 HD23 -0.05 0.00 -0.11 -0.04 0.89 0.69 1fc9A1 LYS 382 H -0.01 0.45 -0.23 -0.55 8.42 8.08 1fc9A1 LYS 382 HA -0.00 0.26 0.49 -0.75 4.32 4.31 1fc9A1 LYS 382 HB2 -0.00 -0.00 0.03 -0.04 1.87 1.86 1fc9A1 LYS 382 HB3 -0.00 -0.03 0.15 -0.04 1.79 1.86 1fc9A1 LYS 382 HG2 0.00 -0.01 -0.19 -0.04 1.46 1.22 1fc9A1 LYS 382 HG3 0.00 0.00 0.05 -0.04 1.46 1.47 1fc9A1 LYS 382 HD2 0.00 0.04 -0.02 -0.04 1.69 1.67 1fc9A1 LYS 382 HD3 0.00 -0.09 -0.02 -0.04 1.68 1.53 1fc9A1 LYS 382 HE2 0.00 -0.08 -0.02 -0.04 2.99 2.85 1fc9A1 LYS 382 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.89 1fc9A1 ASP 383 H -0.01 0.65 0.11 -0.55 8.40 8.60 1fc9A1 ASP 383 HA -0.00 0.05 0.45 -0.75 4.63 4.38 1fc9A1 ASP 383 HB2 -0.00 0.14 0.22 -0.04 2.71 3.03 1fc9A1 ASP 383 HB3 -0.00 -0.07 0.08 -0.04 2.70 2.67 1fc9A1 SER 384 H -0.01 0.44 -0.29 -0.55 8.46 8.05 1fc9A1 SER 384 HA -0.01 0.05 0.58 -0.75 4.49 4.36 1fc9A1 SER 384 HB2 -0.01 -0.05 0.15 -0.04 3.95 4.00 1fc9A1 SER 384 HB3 -0.01 0.05 0.15 -0.04 3.93 4.08 1fc9A1 LYS 385 H -0.00 0.36 -0.68 -0.55 8.42 7.55 1fc9A1 LYS 385 HA 0.00 0.00 0.33 -0.75 4.32 3.90 1fc9A1 LYS 385 HB2 -0.00 0.15 0.02 -0.04 1.87 2.00 1fc9A1 LYS 385 HB3 0.01 -0.06 0.20 -0.04 1.79 1.90 1fc9A1 LYS 385 HG2 0.00 0.10 -0.14 -0.04 1.46 1.38 1fc9A1 LYS 385 HG3 0.00 -0.09 -0.04 -0.04 1.46 1.29 1fc9A1 LYS 385 HD2 0.01 -0.04 0.04 -0.04 1.69 1.65 1fc9A1 LYS 385 HD3 0.01 -0.08 0.03 -0.04 1.68 1.59 1fc9A1 LYS 385 HE2 0.01 0.00 0.13 -0.04 2.99 3.09 1fc9A1 LYS 385 HE3 0.01 -0.06 0.06 -0.04 2.99 2.96 1fc9A1 ARG 386 H -0.01 0.08 -0.27 -0.55 8.46 7.70 1fc9A1 ARG 386 HA -0.01 0.09 0.48 -0.75 4.34 4.16 1fc9A1 ARG 386 HB2 -0.03 -0.05 0.04 -0.04 1.90 1.82 1fc9A1 ARG 386 HB3 -0.02 -0.06 0.10 -0.04 1.80 1.77 1fc9A1 ARG 386 HG2 -0.06 -0.11 -0.24 -0.04 1.67 1.22 1fc9A1 ARG 386 HG3 -0.04 -0.06 -0.18 -0.04 1.67 1.35 1fc9A1 ARG 386 HD2 -0.02 0.01 0.14 -0.04 3.22 3.31 1fc9A1 ARG 386 HD3 -0.04 -0.04 0.16 -0.04 3.22 3.26 1fc9A1 GLY 387 H 0.00 0.46 -0.04 -0.55 8.43 8.31 1fc9A1 GLY 387 HA2 0.05 0.20 0.81 -0.51 4.01 4.56 1fc9A1 GLY 387 HA3 0.02 -0.10 0.11 -0.51 4.01 3.53 1fc9A1 LEU 388 H 0.03 0.54 0.36 -0.55 8.37 8.75 1fc9A1 LEU 388 HA 0.01 0.17 0.97 -0.75 4.35 4.74 1fc9A1 LEU 388 HB2 -0.06 -0.01 0.11 -0.04 1.64 1.63 1fc9A1 LEU 388 HB3 -0.02 -0.05 0.09 -0.04 1.64 1.62 1fc9A1 LEU 388 HG 0.07 0.02 -0.01 -0.04 1.64 1.68 1fc9A1 LEU 388 HD13 0.12 0.02 0.02 -0.04 0.93 1.06 1fc9A1 LEU 388 HD23 0.03 0.00 0.05 -0.04 0.89 0.93 1fc9A1 ILE 389 H -0.01 0.18 0.25 -0.55 8.25 8.11 1fc9A1 ILE 389 HA -0.02 0.25 0.96 -0.75 4.18 4.62 1fc9A1 ILE 389 HB -0.01 -0.09 0.18 -0.04 1.89 1.94 1fc9A1 ILE 389 HG12 -0.00 0.03 -0.10 -0.04 1.49 1.38 1fc9A1 ILE 389 HG13 -0.00 0.01 -0.13 -0.04 1.21 1.05 1fc9A1 ILE 389 HG23 -0.00 0.01 -0.29 -0.04 0.93 0.61 1fc9A1 ILE 389 HD13 -0.00 0.04 -0.22 -0.04 0.88 0.66 1fc9A1 ALA 390 H -0.03 0.69 0.31 -0.55 8.40 8.82 1fc9A1 ALA 390 HA -0.03 0.26 0.99 -0.75 4.34 4.80 1fc9A1 ALA 390 HB3 -0.07 0.02 -0.03 -0.04 1.41 1.28 1fc9A1 GLY 391 H -0.01 0.67 0.32 -0.55 8.43 8.86 1fc9A1 GLY 391 HA2 -0.00 -0.02 0.36 -0.51 4.01 3.84 1fc9A1 GLY 391 HA3 0.00 0.32 1.07 -0.51 4.01 4.89 1fc9A1 GLU 392 H 0.01 0.45 0.29 -0.55 8.60 8.80 1fc9A1 GLU 392 HA -0.00 0.14 0.88 -0.75 4.29 4.56 1fc9A1 GLU 392 HB2 -0.00 0.00 0.18 -0.04 2.09 2.22 1fc9A1 GLU 392 HB3 0.00 0.06 0.02 -0.04 1.99 2.03 1fc9A1 GLU 392 HG2 0.01 -0.07 0.26 -0.04 2.34 2.50 1fc9A1 GLU 392 HG3 0.00 0.29 -0.14 -0.04 2.34 2.46 1fc9A1 ARG 393 H -0.00 0.08 0.13 -0.55 8.46 8.12 1fc9A1 ARG 393 HA 0.01 0.25 0.50 -0.75 4.34 4.34 1fc9A1 ARG 393 HB2 -0.00 -0.03 0.10 -0.04 1.90 1.92 1fc9A1 ARG 393 HB3 -0.01 -0.06 0.09 -0.04 1.80 1.78 1fc9A1 ARG 393 HG2 0.01 -0.17 -0.04 -0.04 1.67 1.43 1fc9A1 ARG 393 HG3 0.00 0.05 -0.08 -0.04 1.67 1.60 1fc9A1 ARG 393 HD2 -0.02 -0.17 -0.13 -0.04 3.22 2.86 1fc9A1 ARG 393 HD3 -0.01 0.67 -0.19 -0.04 3.22 3.65 1fc9A1 THR 394 H 0.02 0.25 0.21 -0.55 8.28 8.21 1fc9A1 THR 394 HA 0.06 0.29 0.47 -0.75 4.39 4.45 1fc9A1 THR 394 HB 0.08 0.19 0.24 -0.04 4.32 4.79 1fc9A1 THR 394 HG23 0.03 0.07 0.04 -0.04 1.22 1.32 1fc9A1 PHE 395 H 0.22 0.63 0.27 -0.55 8.34 8.91 1fc9A1 PHE 395 HA 0.02 0.15 0.41 -0.75 4.62 4.44 1fc9A1 PHE 395 HB2 0.02 0.15 -0.09 -0.04 3.15 3.19 1fc9A1 PHE 395 HB3 0.02 -0.37 0.09 -0.04 3.06 2.77 1fc9A1 PHE 395 HD2 0.03 0.03 -0.14 -0.04 7.28 7.16 1fc9A1 PHE 395 HE2 0.03 0.02 0.01 -0.04 7.38 7.41 1fc9A1 PHE 395 HZ 0.01 -0.01 -0.14 -0.04 7.32 7.14 1fc9A1 GLY 396 H 0.17 -0.02 -0.12 -0.55 8.43 7.92 1fc9A1 GLY 396 HA2 0.09 0.12 0.14 -0.51 4.01 3.86 1fc9A1 GLY 396 HA3 0.09 0.28 0.45 -0.51 4.01 4.32 1fc9A1 LYS 397 H 0.19 0.03 -0.03 -0.55 8.42 8.05 1fc9A1 LYS 397 HA 0.13 0.14 0.69 -0.75 4.32 4.53 1fc9A1 LYS 397 HB2 -0.01 0.15 0.00 -0.04 1.87 1.97 1fc9A1 LYS 397 HB3 -0.04 -0.21 0.24 -0.04 1.79 1.73 1fc9A1 LYS 397 HG2 -0.05 -0.02 -0.04 -0.04 1.46 1.32 1fc9A1 LYS 397 HG3 0.00 0.04 0.03 -0.04 1.46 1.49 1fc9A1 LYS 397 HD2 -0.24 0.05 -0.01 -0.04 1.69 1.45 1fc9A1 LYS 397 HD3 -0.23 -0.02 0.02 -0.04 1.68 1.41 1fc9A1 LYS 397 HE2 -0.10 0.04 0.03 -0.04 2.99 2.92 1fc9A1 LYS 397 HE3 -0.07 -0.05 0.04 -0.04 2.99 2.87 1fc9A1 GLY 398 H 0.04 0.22 0.11 -0.55 8.43 8.26 1fc9A1 GLY 398 HA2 0.16 0.24 0.92 -0.51 4.01 4.83 1fc9A1 GLY 398 HA3 0.06 -0.09 0.30 -0.51 4.01 3.77 1fc9A1 LEU 399 H -0.14 0.06 0.05 -0.55 8.37 7.79 1fc9A1 LEU 399 HA -0.26 0.26 0.85 -0.75 4.35 4.44 1fc9A1 LEU 399 HB2 -0.51 -0.03 0.02 -0.04 1.64 1.07 1fc9A1 LEU 399 HB3 -0.31 0.06 0.09 -0.04 1.64 1.44 1fc9A1 LEU 399 HG -0.11 -0.16 0.09 -0.04 1.64 1.41 1fc9A1 LEU 399 HD13 -0.02 0.01 0.01 -0.04 0.93 0.90 1fc9A1 LEU 399 HD23 -0.13 0.03 -0.03 -0.04 0.89 0.72 1fc9A1 ILE 400 H -0.33 0.59 0.35 -0.55 8.25 8.30 1fc9A1 ILE 400 HA -0.30 0.14 0.88 -0.75 4.18 4.16 1fc9A1 ILE 400 HB -0.37 -0.08 0.08 -0.04 1.89 1.48 1fc9A1 ILE 400 HG12 -1.01 0.02 -0.15 -0.04 1.49 0.31 1fc9A1 ILE 400 HG13 -0.93 -0.01 -0.38 -0.04 1.21 -0.16 1fc9A1 ILE 400 HG23 -0.27 0.01 -0.15 -0.04 0.93 0.49 1fc9A1 ILE 400 HD13 -0.81 -0.01 -0.23 -0.04 0.88 -0.20 1fc9A1 GLN 401 H -0.16 0.22 0.19 -0.55 8.47 8.18 1fc9A1 GLN 401 HA -0.09 0.29 1.12 -0.75 4.36 4.93 1fc9A1 GLN 401 HB2 -0.05 -0.03 0.02 -0.04 2.15 2.05 1fc9A1 GLN 401 HB3 0.03 0.02 -0.16 -0.04 2.02 1.87 1fc9A1 GLN 401 HG2 0.13 0.13 -0.20 -0.04 2.40 2.42 1fc9A1 GLN 401 HG3 -0.03 -0.01 -0.35 -0.04 2.39 1.96 1fc9A1 GLN 401 HE21 -1.00 -0.03 -0.20 -0.04 6.97 5.70 1fc9A1 GLN 401 HE22 -0.33 -0.02 -0.16 -0.04 7.69 7.15 1fc9A1 THR 402 H -0.02 0.62 0.38 -0.55 8.28 8.71 1fc9A1 THR 402 HA -0.01 0.19 0.99 -0.75 4.39 4.80 1fc9A1 THR 402 HB -0.02 0.02 -0.18 -0.04 4.32 4.10 1fc9A1 THR 402 HG23 -0.01 0.02 0.06 -0.04 1.22 1.25 1fc9A1 VAL 403 H 0.01 0.17 0.15 -0.55 8.24 8.02 1fc9A1 VAL 403 HA 0.01 0.35 1.07 -0.75 4.13 4.81 1fc9A1 VAL 403 HB 0.00 0.00 0.07 -0.04 2.12 2.15 1fc9A1 VAL 403 HG13 -0.03 -0.02 -0.41 -0.04 0.97 0.47 1fc9A1 VAL 403 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.76 1fc9A1 VAL 404 H 0.02 0.79 0.36 -0.55 8.24 8.86 1fc9A1 VAL 404 HA 0.01 0.14 0.84 -0.75 4.13 4.36 1fc9A1 VAL 404 HB 0.03 -0.06 0.19 -0.04 2.12 2.23 1fc9A1 VAL 404 HG13 0.02 0.01 -0.06 -0.04 0.97 0.91 1fc9A1 VAL 404 HG23 0.01 0.03 -0.09 -0.04 0.95 0.86 1fc9A1 ASP 405 H 0.02 0.16 0.11 -0.55 8.40 8.15 1fc9A1 ASP 405 HA 0.01 0.07 0.64 -0.75 4.63 4.60 1fc9A1 ASP 405 HB2 0.02 -0.03 0.05 -0.04 2.71 2.71 1fc9A1 ASP 405 HB3 0.02 0.10 -0.01 -0.04 2.70 2.76 1fc9A1 LEU 406 H 0.04 0.96 0.35 -0.55 8.37 9.17 1fc9A1 LEU 406 HA 0.06 0.32 1.03 -0.75 4.35 5.00 1fc9A1 LEU 406 HB2 0.14 -0.17 -0.02 -0.04 1.64 1.55 1fc9A1 LEU 406 HB3 0.11 -0.05 0.12 -0.04 1.64 1.78 1fc9A1 LEU 406 HG 0.13 0.03 -0.26 -0.04 1.64 1.49 1fc9A1 LEU 406 HD13 0.23 0.00 -0.14 -0.04 0.93 0.98 1fc9A1 LEU 406 HD23 0.08 0.04 -0.35 -0.04 0.89 0.62 1fc9A1 SER 407 H 0.07 0.21 0.15 -0.55 8.46 8.34 1fc9A1 SER 407 HA 0.05 0.15 0.37 -0.75 4.49 4.30 1fc9A1 SER 407 HB2 0.05 0.06 0.05 -0.04 3.95 4.06 1fc9A1 SER 407 HB3 0.05 0.06 0.11 -0.04 3.93 4.12 1fc9A1 ASP 408 H 0.10 -0.05 -0.56 -0.55 8.40 7.34 1fc9A1 ASP 408 HA 0.10 0.09 0.44 -0.75 4.63 4.50 1fc9A1 ASP 408 HB2 0.18 0.01 -0.03 -0.04 2.71 2.82 1fc9A1 ASP 408 HB3 0.14 -0.72 -0.20 -0.04 2.70 1.88 1fc9A1 GLY 409 H 0.06 0.80 -0.09 -0.55 8.43 8.65 1fc9A1 GLY 409 HA2 0.02 0.06 0.32 -0.51 4.01 3.91 1fc9A1 GLY 409 HA3 0.03 0.14 0.75 -0.51 4.01 4.43 1fc9A1 SER 410 H 0.08 -0.16 -0.33 -0.55 8.46 7.50 1fc9A1 SER 410 HA -0.13 0.15 0.60 -0.75 4.49 4.35 1fc9A1 SER 410 HB2 -0.34 0.20 0.16 -0.04 3.95 3.93 1fc9A1 SER 410 HB3 0.02 -0.06 0.05 -0.04 3.93 3.90 1fc9A1 GLY 411 H -0.34 0.57 0.30 -0.55 8.43 8.41 1fc9A1 GLY 411 HA2 0.01 0.20 0.71 -0.51 4.01 4.42 1fc9A1 GLY 411 HA3 -0.07 0.04 0.18 -0.51 4.01 3.64 1fc9A1 VAL 412 H 0.03 0.64 0.27 -0.55 8.24 8.63 1fc9A1 VAL 412 HA 0.09 0.18 1.03 -0.75 4.13 4.68 1fc9A1 VAL 412 HB 0.07 -0.02 0.17 -0.04 2.12 2.29 1fc9A1 VAL 412 HG13 0.09 0.02 -0.21 -0.04 0.97 0.84 1fc9A1 VAL 412 HG23 0.19 -0.01 -0.08 -0.04 0.95 1.01 1fc9A1 ALA 413 H 0.03 0.66 0.30 -0.55 8.40 8.84 1fc9A1 ALA 413 HA 0.04 0.11 0.69 -0.75 4.34 4.43 1fc9A1 ALA 413 HB3 0.11 -0.02 0.06 -0.04 1.41 1.52 1fc9A1 VAL 414 H 0.04 0.75 0.36 -0.55 8.24 8.84 1fc9A1 VAL 414 HA 0.11 0.15 0.94 -0.75 4.13 4.57 1fc9A1 VAL 414 HB 0.06 0.03 -0.17 -0.04 2.12 2.00 1fc9A1 VAL 414 HG13 0.03 0.03 -0.13 -0.04 0.97 0.85 1fc9A1 VAL 414 HG23 0.16 -0.00 -0.21 -0.04 0.95 0.86 1fc9A1 THR 415 H 0.16 0.13 0.07 -0.55 8.28 8.10 1fc9A1 THR 415 HA -0.09 0.18 0.84 -0.75 4.39 4.56 1fc9A1 THR 415 HB 0.00 -0.03 0.20 -0.04 4.32 4.45 1fc9A1 THR 415 HG23 -0.21 -0.00 -0.03 -0.04 1.22 0.94 1fc9A1 VAL 416 H -0.16 0.47 0.42 -0.55 8.24 8.43 1fc9A1 VAL 416 HA -0.21 0.26 1.17 -0.75 4.13 4.60 1fc9A1 VAL 416 HB -0.11 0.10 0.07 -0.04 2.12 2.13 1fc9A1 VAL 416 HG13 -0.05 0.04 -0.23 -0.04 0.97 0.68 1fc9A1 VAL 416 HG23 -0.14 -0.01 -0.16 -0.04 0.95 0.60 1fc9A1 ALA 417 H -0.24 0.20 0.33 -0.55 8.40 8.14 1fc9A1 ALA 417 HA -0.22 0.29 0.76 -0.75 4.34 4.42 1fc9A1 ALA 417 HB3 -0.23 -0.01 -0.07 -0.04 1.41 1.06 1fc9A1 ARG 418 H -0.21 0.56 0.43 -0.55 8.46 8.69 1fc9A1 ARG 418 HA -0.28 0.19 1.11 -0.75 4.34 4.61 1fc9A1 ARG 418 HB2 -0.13 0.07 0.04 -0.04 1.90 1.84 1fc9A1 ARG 418 HB3 -0.10 0.01 -0.12 -0.04 1.80 1.56 1fc9A1 ARG 418 HG2 -0.14 -0.06 -0.04 -0.04 1.67 1.39 1fc9A1 ARG 418 HG3 -0.18 -0.02 -0.41 -0.04 1.67 1.02 1fc9A1 ARG 418 HD2 -0.08 -0.01 -0.08 -0.04 3.22 3.01 1fc9A1 ARG 418 HD3 -0.10 -0.01 -0.09 -0.04 3.22 2.97 1fc9A1 TYR 419 H -0.19 0.61 0.35 -0.55 8.29 8.51 1fc9A1 TYR 419 HA -0.07 0.25 0.75 -0.75 4.56 4.74 1fc9A1 TYR 419 HB2 -0.05 -0.14 0.11 -0.04 3.06 2.95 1fc9A1 TYR 419 HB3 -0.02 0.08 -0.04 -0.04 2.98 2.96 1fc9A1 TYR 419 HD2 -0.10 0.03 -0.05 -0.04 7.15 6.98 1fc9A1 TYR 419 HE2 -0.68 -0.00 -0.13 -0.04 6.85 6.00 1fc9A1 GLN 420 H 0.11 0.69 0.41 -0.55 8.47 9.13 1fc9A1 GLN 420 HA 0.04 0.24 1.06 -0.75 4.36 4.95 1fc9A1 GLN 420 HB2 0.02 -0.00 -0.14 -0.04 2.15 1.99 1fc9A1 GLN 420 HB3 0.01 -0.03 -0.53 -0.04 2.02 1.43 1fc9A1 GLN 420 HG2 -0.01 -0.03 -0.55 -0.04 2.40 1.78 1fc9A1 GLN 420 HG3 -0.00 0.02 -0.28 -0.04 2.39 2.08 1fc9A1 GLN 420 HE21 -0.02 0.08 -0.12 -0.04 6.97 6.86 1fc9A1 GLN 420 HE22 -0.03 -0.08 -0.20 -0.04 7.69 7.35 1fc9A1 THR 421 H 0.02 0.64 0.19 -0.55 8.28 8.58 1fc9A1 THR 421 HA 0.02 0.16 0.43 -0.75 4.39 4.25 1fc9A1 THR 421 HB 0.01 0.14 0.12 -0.04 4.32 4.54 1fc9A1 THR 421 HG23 0.01 0.05 -0.01 -0.04 1.22 1.23 1fc9A1 PRO 422 HA 0.02 0.03 0.19 -0.51 4.44 4.17 1fc9A1 PRO 422 HB2 0.00 0.07 -0.00 -0.04 2.28 2.31 1fc9A1 PRO 422 HB3 0.01 -0.05 -0.21 -0.04 2.02 1.73 1fc9A1 PRO 422 HG2 -0.00 0.11 0.11 -0.04 2.03 2.20 1fc9A1 PRO 422 HG3 0.01 0.18 -0.23 -0.04 2.03 1.95 1fc9A1 PRO 422 HD2 0.00 0.12 0.12 -0.04 3.68 3.88 1fc9A1 PRO 422 HD3 0.00 0.14 0.11 -0.04 3.65 3.87 1fc9A1 ALA 423 H 0.01 0.09 -0.28 -0.55 8.40 7.66 1fc9A1 ALA 423 HA 0.00 0.17 0.33 -0.75 4.34 4.08 1fc9A1 ALA 423 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 1fc9A1 GLY 424 H 0.01 0.60 -0.58 -0.55 8.43 7.92 1fc9A1 GLY 424 HA2 0.00 -0.02 0.18 -0.51 4.01 3.67 1fc9A1 GLY 424 HA3 -0.00 0.14 0.57 -0.51 4.01 4.21 1fc9A1 VAL 425 H 0.01 0.01 -0.14 -0.55 8.24 7.57 1fc9A1 VAL 425 HA 0.00 0.19 0.87 -0.75 4.13 4.43 1fc9A1 VAL 425 HB 0.01 -0.11 -0.00 -0.04 2.12 1.97 1fc9A1 VAL 425 HG13 0.01 0.09 -0.12 -0.04 0.97 0.90 1fc9A1 VAL 425 HG23 0.00 0.02 -0.23 -0.04 0.95 0.70 1fc9A1 ASP 426 H -0.00 0.17 0.13 -0.55 8.40 8.15 1fc9A1 ASP 426 HA 0.01 0.14 0.41 -0.75 4.63 4.44 1fc9A1 ASP 426 HB2 -0.00 0.04 0.13 -0.04 2.71 2.83 1fc9A1 ASP 426 HB3 -0.00 0.02 -0.02 -0.04 2.70 2.65 1fc9A1 ILE 427 H 0.04 0.59 0.34 -0.55 8.25 8.68 1fc9A1 ILE 427 HA 0.03 0.18 0.52 -0.75 4.18 4.16 1fc9A1 ILE 427 HB 0.11 0.03 0.09 -0.04 1.89 2.07 1fc9A1 ILE 427 HG12 0.02 0.03 -0.20 -0.04 1.49 1.31 1fc9A1 ILE 427 HG13 0.04 0.06 -0.23 -0.04 1.21 1.05 1fc9A1 ILE 427 HG23 0.06 -0.05 -0.35 -0.04 0.93 0.55 1fc9A1 ILE 427 HD13 -0.00 -0.02 -0.30 -0.04 0.88 0.52 1fc9A1 ASN 428 H 0.02 0.08 0.04 -0.55 8.53 8.13 1fc9A1 ASN 428 HA 0.05 0.07 0.23 -0.75 4.76 4.36 1fc9A1 ASN 428 HB2 -0.02 -0.08 0.08 -0.04 2.88 2.82 1fc9A1 ASN 428 HB3 -0.01 0.08 0.06 -0.04 2.79 2.88 1fc9A1 ASN 428 HD21 0.04 0.01 -0.00 -0.04 7.03 7.04 1fc9A1 ASN 428 HD22 0.00 0.05 -0.06 -0.04 7.74 7.68 1fc9A1 LYS 429 H 0.07 0.70 0.37 -0.55 8.42 9.00 1fc9A1 LYS 429 HA 0.04 0.06 0.48 -0.75 4.32 4.15 1fc9A1 LYS 429 HB2 0.02 0.17 0.16 -0.04 1.87 2.18 1fc9A1 LYS 429 HB3 0.02 0.05 0.00 -0.04 1.79 1.81 1fc9A1 LYS 429 HG2 0.04 0.06 -0.10 -0.04 1.46 1.42 1fc9A1 LYS 429 HG3 0.03 -0.13 -0.19 -0.04 1.46 1.13 1fc9A1 LYS 429 HD2 0.02 -0.06 -0.06 -0.04 1.69 1.55 1fc9A1 LYS 429 HD3 0.01 -0.03 -0.05 -0.04 1.68 1.57 1fc9A1 LYS 429 HE2 0.01 0.03 -0.03 -0.04 2.99 2.96 1fc9A1 LYS 429 HE3 0.01 0.10 0.02 -0.04 2.99 3.08 1fc9A1 ILE 430 H 0.02 0.41 -0.46 -0.55 8.25 7.68 1fc9A1 ILE 430 HA 0.01 0.03 0.44 -0.75 4.18 3.91 1fc9A1 ILE 430 HB 0.02 0.20 0.00 -0.04 1.89 2.07 1fc9A1 ILE 430 HG12 0.01 -0.03 0.00 -0.04 1.49 1.43 1fc9A1 ILE 430 HG13 0.01 -0.05 0.03 -0.04 1.21 1.15 1fc9A1 ILE 430 HG23 0.01 0.03 -0.11 -0.04 0.93 0.81 1fc9A1 ILE 430 HD13 0.00 -0.02 0.01 -0.04 0.88 0.84 1fc9A1 GLY 431 H 0.04 0.49 -0.07 -0.55 8.43 8.34 1fc9A1 GLY 431 HA2 0.05 -0.18 0.23 -0.51 4.01 3.60 1fc9A1 GLY 431 HA3 0.04 0.17 0.23 -0.51 4.01 3.94 1fc9A1 VAL 432 H 0.03 0.01 0.13 -0.55 8.24 7.86 1fc9A1 VAL 432 HA 0.01 0.21 0.88 -0.75 4.13 4.48 1fc9A1 VAL 432 HB 0.02 -0.07 0.02 -0.04 2.12 2.05 1fc9A1 VAL 432 HG13 0.00 0.03 -0.28 -0.04 0.97 0.68 1fc9A1 VAL 432 HG23 0.01 -0.03 -0.11 -0.04 0.95 0.78 1fc9A1 SER 433 H 0.01 0.17 0.06 -0.55 8.46 8.15 1fc9A1 SER 433 HA 0.00 0.11 0.63 -0.75 4.49 4.48 1fc9A1 SER 433 HB2 0.00 -0.03 0.05 -0.04 3.95 3.93 1fc9A1 SER 433 HB3 0.00 0.12 -0.08 -0.04 3.93 3.93 1fc9A1 PRO 434 HA -0.00 0.01 0.21 -0.51 4.44 4.15 1fc9A1 PRO 434 HB2 -0.01 0.05 -0.56 -0.04 2.28 1.73 1fc9A1 PRO 434 HB3 -0.01 -0.09 -0.47 -0.04 2.02 1.41 1fc9A1 PRO 434 HG2 -0.00 0.03 -0.11 -0.04 2.03 1.90 1fc9A1 PRO 434 HG3 -0.00 -0.04 -0.72 -0.04 2.03 1.23 1fc9A1 PRO 434 HD2 0.00 0.05 0.09 -0.04 3.68 3.78 1fc9A1 PRO 434 HD3 0.00 0.21 -0.26 -0.04 3.65 3.57 1fc9A1 ASP 435 H -0.01 0.64 0.44 -0.55 8.40 8.92 1fc9A1 ASP 435 HA 0.00 0.08 0.73 -0.75 4.63 4.69 1fc9A1 ASP 435 HB2 -0.01 -0.03 0.25 -0.04 2.71 2.89 1fc9A1 ASP 435 HB3 0.00 0.02 0.09 -0.04 2.70 2.77 1fc9A1 VAL 436 H -0.02 0.52 0.27 -0.55 8.24 8.46 1fc9A1 VAL 436 HA -0.01 0.14 0.83 -0.75 4.13 4.34 1fc9A1 VAL 436 HB -0.04 -0.13 0.20 -0.04 2.12 2.10 1fc9A1 VAL 436 HG13 -0.02 0.03 -0.14 -0.04 0.97 0.80 1fc9A1 VAL 436 HG23 -0.02 0.05 -0.06 -0.04 0.95 0.88 1fc9A1 GLN 437 H -0.00 0.19 0.04 -0.55 8.47 8.15 1fc9A1 GLN 437 HA -0.01 0.23 0.70 -0.75 4.36 4.53 1fc9A1 GLN 437 HB2 -0.00 -0.04 0.12 -0.04 2.15 2.18 1fc9A1 GLN 437 HB3 -0.00 -0.01 0.10 -0.04 2.02 2.07 1fc9A1 GLN 437 HG2 -0.00 0.05 0.03 -0.04 2.40 2.43 1fc9A1 GLN 437 HG3 -0.00 -0.04 0.02 -0.04 2.39 2.33 1fc9A1 GLN 437 HE21 -0.00 0.60 -0.14 -0.04 6.97 7.39 1fc9A1 GLN 437 HE22 -0.00 0.06 -0.30 -0.04 7.69 7.41 1fc9A1 LEU 438 H -0.01 0.68 0.40 -0.55 8.37 8.90 1fc9A1 LEU 438 HA -0.00 0.13 0.67 -0.75 4.35 4.39 1fc9A1 LEU 438 HB2 -0.01 -0.05 -0.19 -0.04 1.64 1.36 1fc9A1 LEU 438 HB3 -0.01 -0.02 -0.07 -0.04 1.64 1.50 1fc9A1 LEU 438 HG -0.02 0.04 -0.74 -0.04 1.64 0.88 1fc9A1 LEU 438 HD13 -0.03 -0.00 -0.24 -0.04 0.93 0.62 1fc9A1 LEU 438 HD23 -0.01 0.04 -0.10 -0.04 0.89 0.78 1fc9A1 ASP 439 H -0.00 0.16 0.11 -0.55 8.40 8.12 1fc9A1 ASP 439 HA -0.00 0.18 0.62 -0.75 4.63 4.67 1fc9A1 ASP 439 HB2 -0.00 0.08 0.11 -0.04 2.71 2.86 1fc9A1 ASP 439 HB3 -0.00 0.04 0.20 -0.04 2.70 2.90 1fc9A1 PRO 440 HA 0.01 0.12 0.32 -0.51 4.44 4.37 1fc9A1 PRO 440 HB2 0.01 -0.01 0.03 -0.04 2.28 2.27 1fc9A1 PRO 440 HB3 0.01 0.09 0.20 -0.04 2.02 2.28 1fc9A1 PRO 440 HG2 0.01 0.00 0.07 -0.04 2.03 2.07 1fc9A1 PRO 440 HG3 0.01 0.01 0.17 -0.04 2.03 2.17 1fc9A1 PRO 440 HD2 0.00 0.03 0.23 -0.04 3.68 3.90 1fc9A1 PRO 440 HD3 0.00 0.42 0.38 -0.04 3.65 4.41 1fc9A1 GLU 441 H 0.00 -0.06 -0.90 -0.55 8.60 7.10 1fc9A1 GLU 441 HA 0.01 0.21 0.67 -0.75 4.29 4.42 1fc9A1 GLU 441 HB2 0.00 -0.07 -0.08 -0.04 2.09 1.90 1fc9A1 GLU 441 HB3 0.00 0.05 -0.23 -0.04 1.99 1.77 1fc9A1 GLU 441 HG2 0.00 0.04 -0.05 -0.04 2.34 2.29 1fc9A1 GLU 441 HG3 0.00 -0.05 -0.09 -0.04 2.34 2.16 1fc9A1 VAL 442 H -0.00 0.16 -0.08 -0.55 8.24 7.77 1fc9A1 VAL 442 HA -0.01 0.02 0.40 -0.75 4.13 3.79 1fc9A1 VAL 442 HB -0.00 0.12 0.13 -0.04 2.12 2.32 1fc9A1 VAL 442 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.84 1fc9A1 VAL 442 HG23 -0.00 -0.05 0.09 -0.04 0.95 0.94 1fc9A1 LEU 443 H -0.00 0.08 -0.38 -0.55 8.37 7.52 1fc9A1 LEU 443 HA -0.03 0.24 0.91 -0.75 4.35 4.72 1fc9A1 LEU 443 HB2 -0.01 -0.07 -0.07 -0.04 1.64 1.44 1fc9A1 LEU 443 HB3 -0.00 -0.00 -0.08 -0.04 1.64 1.52 1fc9A1 LEU 443 HG -0.11 0.06 -0.11 -0.04 1.64 1.44 1fc9A1 LEU 443 HD13 -0.06 0.04 -0.04 -0.04 0.93 0.83 1fc9A1 LEU 443 HD23 -0.06 -0.02 -0.12 -0.04 0.89 0.65 1fc9A1 PRO 444 HA -0.02 0.13 0.30 -0.51 4.44 4.35 1fc9A1 PRO 444 HB2 -0.06 -0.08 -0.11 -0.04 2.28 1.99 1fc9A1 PRO 444 HB3 -0.03 -0.03 0.10 -0.04 2.02 2.01 1fc9A1 PRO 444 HG2 -0.07 -0.02 -0.56 -0.04 2.03 1.35 1fc9A1 PRO 444 HG3 -0.04 0.06 -0.02 -0.04 2.03 1.99 1fc9A1 PRO 444 HD2 -0.06 0.10 0.14 -0.04 3.68 3.81 1fc9A1 PRO 444 HD3 -0.03 0.39 0.20 -0.04 3.65 4.17 1fc9A1 THR 445 H -0.01 -0.00 0.17 -0.55 8.28 7.88 1fc9A1 THR 445 HA 0.06 0.37 1.09 -0.75 4.39 5.15 1fc9A1 THR 445 HB 0.05 -0.03 0.07 -0.04 4.32 4.37 1fc9A1 THR 445 HG23 0.05 0.03 -0.21 -0.04 1.22 1.06 1fc9A1 ASP 446 H -0.03 -0.06 0.06 -0.55 8.40 7.83 1fc9A1 ASP 446 HA 0.00 0.21 0.67 -0.75 4.63 4.76 1fc9A1 ASP 446 HB2 -0.02 -0.01 0.05 -0.04 2.71 2.69 1fc9A1 ASP 446 HB3 -0.01 0.09 0.06 -0.04 2.70 2.80 1fc9A1 LEU 447 H -0.00 0.18 0.09 -0.55 8.37 8.09 1fc9A1 LEU 447 HA -0.08 0.12 0.16 -0.75 4.35 3.80 1fc9A1 LEU 447 HB2 -0.03 -0.05 0.08 -0.04 1.64 1.60 1fc9A1 LEU 447 HB3 -0.02 0.05 -0.06 -0.04 1.64 1.57 1fc9A1 LEU 447 HG 0.02 -0.04 0.07 -0.04 1.64 1.65 1fc9A1 LEU 447 HD13 -0.07 0.02 0.02 -0.04 0.93 0.86 1fc9A1 LEU 447 HD23 0.17 0.00 -0.28 -0.04 0.89 0.74 1fc9A1 GLU 448 H -0.04 0.09 -0.11 -0.55 8.60 8.00 1fc9A1 GLU 448 HA -0.04 0.10 0.33 -0.75 4.29 3.93 1fc9A1 GLU 448 HB2 -0.03 0.07 0.03 -0.04 2.09 2.12 1fc9A1 GLU 448 HB3 -0.03 0.04 0.08 -0.04 1.99 2.04 1fc9A1 GLU 448 HG2 -0.03 0.04 0.04 -0.04 2.34 2.35 1fc9A1 GLU 448 HG3 -0.03 -0.17 0.05 -0.04 2.34 2.15 1fc9A1 GLY 449 H -0.05 0.03 -0.24 -0.55 8.43 7.62 1fc9A1 GLY 449 HA2 -0.04 0.05 0.22 -0.51 4.01 3.73 1fc9A1 GLY 449 HA3 -0.05 -0.00 0.25 -0.51 4.01 3.70 1fc9A1 VAL 450 H -0.13 0.51 -0.41 -0.55 8.24 7.66 1fc9A1 VAL 450 HA -0.18 0.04 0.31 -0.75 4.13 3.56 1fc9A1 VAL 450 HB -0.35 0.11 0.01 -0.04 2.12 1.85 1fc9A1 VAL 450 HG13 -0.73 -0.01 -0.30 -0.04 0.97 -0.12 1fc9A1 VAL 450 HG23 -0.45 0.05 -0.42 -0.04 0.95 0.08 1fc9A1 CYS 451 H -0.12 0.56 -0.02 -0.55 8.50 8.37 1fc9A1 CYS 451 HA -0.05 -0.01 0.38 -0.75 4.58 4.15 1fc9A1 CYS 451 HB2 -0.04 0.06 0.11 -0.04 2.97 3.07 1fc9A1 CYS 451 HB3 -0.02 -0.02 0.08 -0.04 2.97 2.97 1fc9A1 ARG 452 H -0.05 0.52 -0.27 -0.55 8.46 8.10 1fc9A1 ARG 452 HA -0.02 0.04 0.29 -0.75 4.34 3.89 1fc9A1 ARG 452 HB2 -0.03 -0.08 0.03 -0.04 1.90 1.78 1fc9A1 ARG 452 HB3 -0.04 0.01 0.09 -0.04 1.80 1.83 1fc9A1 ARG 452 HG2 -0.02 0.08 -0.28 -0.04 1.67 1.40 1fc9A1 ARG 452 HG3 -0.02 -0.02 -0.05 -0.04 1.67 1.54 1fc9A1 ARG 452 HD2 -0.02 -0.02 -0.05 -0.04 3.22 3.09 1fc9A1 ARG 452 HD3 -0.02 -0.05 -0.04 -0.04 3.22 3.06 1fc9A1 VAL 453 H -0.05 0.57 -0.09 -0.55 8.24 8.12 1fc9A1 VAL 453 HA -0.02 -0.01 0.24 -0.75 4.13 3.58 1fc9A1 VAL 453 HB -0.05 0.03 0.05 -0.04 2.12 2.11 1fc9A1 VAL 453 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.80 1fc9A1 VAL 453 HG23 -0.03 0.06 0.06 -0.04 0.95 1.00 1fc9A1 LEU 454 H -0.04 0.50 -0.22 -0.55 8.37 8.07 1fc9A1 LEU 454 HA 0.00 0.04 0.53 -0.75 4.35 4.17 1fc9A1 LEU 454 HB2 -0.02 0.05 0.06 -0.04 1.64 1.68 1fc9A1 LEU 454 HB3 0.02 -0.07 -0.05 -0.04 1.64 1.49 1fc9A1 LEU 454 HG -0.06 0.15 -0.04 -0.04 1.64 1.66 1fc9A1 LEU 454 HD13 0.02 -0.03 -0.15 -0.04 0.93 0.72 1fc9A1 LEU 454 HD23 0.01 -0.00 -0.05 -0.04 0.89 0.80 1fc9A1 GLY 455 H -0.01 0.60 -0.31 -0.55 8.43 8.16 1fc9A1 GLY 455 HA2 0.01 -0.15 0.93 -0.51 4.01 4.29 1fc9A1 GLY 455 HA3 -0.00 0.10 0.36 -0.51 4.01 3.95 1fc9A1 SER 456 H 0.00 0.35 -0.40 -0.55 8.46 7.87 1fc9A1 SER 456 HA -0.00 0.07 0.54 -0.75 4.49 4.35 1fc9A1 SER 456 HB2 -0.00 -0.17 0.15 -0.04 3.95 3.89 1fc9A1 SER 456 HB3 -0.01 0.41 -0.38 -0.04 3.93 3.92 1fc9A1 ASP 457 H -0.00 0.18 0.15 -0.55 8.40 8.17 1fc9A1 ASP 457 HA 0.00 0.04 0.40 -0.75 4.63 4.32 1fc9A1 ASP 457 HB2 -0.00 0.01 0.12 -0.04 2.71 2.79 1fc9A1 ASP 457 HB3 0.00 0.02 0.10 -0.04 2.70 2.78 1fc9A1 ALA 458 H -0.00 0.09 -0.40 -0.55 8.40 7.55 1fc9A1 ALA 458 HA 0.00 0.23 0.94 -0.75 4.34 4.76 1fc9A1 ALA 458 HB3 -0.00 -0.02 0.04 -0.04 1.41 1.39 1fc9A1 ALA 459 H 0.01 0.33 -0.24 -0.55 8.40 7.95 1fc9A1 ALA 459 HA 0.00 0.25 0.65 -0.75 4.34 4.48 1fc9A1 ALA 459 HB3 0.01 -0.10 0.15 -0.04 1.41 1.43 1fc9A1 PRO 460 HA 0.00 0.02 0.31 -0.51 4.44 4.26 1fc9A1 PRO 460 HB2 -0.01 -0.02 -0.18 -0.04 2.28 2.04 1fc9A1 PRO 460 HB3 -0.00 -0.01 -0.01 -0.04 2.02 1.95 1fc9A1 PRO 460 HG2 -0.01 -0.00 -0.05 -0.04 2.03 1.93 1fc9A1 PRO 460 HG3 -0.01 -0.01 -0.07 -0.04 2.03 1.91 1fc9A1 PRO 460 HD2 -0.00 0.09 0.08 -0.04 3.68 3.80 1fc9A1 PRO 460 HD3 -0.01 0.28 0.16 -0.04 3.65 4.05 1fc9A1 ARG 461 H 0.01 0.10 0.02 -0.55 8.46 8.03 1fc9A1 ARG 461 HA 0.05 0.56 0.74 -0.75 4.34 4.93 1fc9A1 ARG 461 HB2 0.02 -0.08 0.17 -0.04 1.90 1.97 1fc9A1 ARG 461 HB3 0.04 -0.02 0.13 -0.04 1.80 1.91 1fc9A1 ARG 461 HG2 0.04 0.21 -0.04 -0.04 1.67 1.83 1fc9A1 ARG 461 HG3 0.02 -0.08 0.02 -0.04 1.67 1.59 1fc9A1 ARG 461 HD2 0.02 -0.07 0.04 -0.04 3.22 3.17 1fc9A1 ARG 461 HD3 0.04 0.04 0.07 -0.04 3.22 3.33 1fc9A1 LEU 462 H 0.01 0.51 -0.37 -0.55 8.37 7.98 1fc9A1 LEU 462 HA -0.12 -0.05 0.16 -0.75 4.35 3.59 1fc9A1 LEU 462 HB2 -0.06 0.13 0.01 -0.04 1.64 1.68 1fc9A1 LEU 462 HB3 -0.53 -0.04 -0.19 -0.04 1.64 0.84 1fc9A1 LEU 462 HG 0.00 0.19 -0.02 -0.04 1.64 1.77 1fc9A1 LEU 462 HD13 -0.02 -0.00 -0.09 -0.04 0.93 0.78 1fc9A1 LEU 462 HD23 -0.06 -0.05 -0.16 -0.04 0.89 0.58 1fc9A1 PHE 463 H 0.18 0.22 -0.41 -0.55 8.34 7.77 1fc9A1 PHE 463 HA 0.01 0.11 0.35 -0.75 4.62 4.34 1fc9A1 PHE 463 HB2 0.01 0.14 -0.20 -0.04 3.15 3.06 1fc9A1 PHE 463 HB3 0.01 -0.01 -0.01 -0.04 3.06 3.01 1fc9A1 PHE 463 HD2 0.02 0.09 -0.26 -0.04 7.28 7.09 1fc9A1 PHE 463 HE2 0.02 0.01 -0.29 -0.04 7.38 7.09 1fc9A1 PHE 463 HZ 0.03 -0.02 -0.21 -0.04 7.32 7.09