============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 70.007 -94.009 75.252 -99.200 -91.000 PHE 31 1.000 79.163 -90.318 69.906 -99.200 -91.000 PHE 36 1.000 73.438 -91.040 66.232 -99.200 -91.000 PHE 38 1.000 66.953 -86.015 59.373 -99.200 -91.000 PHE 42 1.000 53.429 -85.155 57.025 -99.200 -91.000 HIS 51 0.900 48.342 -64.497 61.805 -99.200 -91.000 PHE 53 1.000 57.354 -73.961 57.707 -99.200 -91.000 HIS 56 0.900 57.833 -75.587 52.261 -99.200 -91.000 TYR 60 0.840 59.620 -79.879 49.841 -99.200 -91.000 PHE 72 1.000 73.498 -87.088 54.328 -99.200 -91.000 HIS 81 0.900 50.502 -84.238 61.827 -99.200 -91.000 TRP 84 1.040 44.545 -88.105 55.201 -99.200 -91.000 TRP6 84 1.020 46.310 -87.380 53.801 -99.200 -91.000 PHE 101 1.000 48.349 -80.712 72.013 -99.200 -91.000 PHE 126 1.000 45.740 -85.934 76.686 -99.200 -91.000 TRP 130 1.040 48.125 -94.239 86.481 -99.200 -91.000 TRP6 130 1.020 49.578 -93.083 87.950 -99.200 -91.000 PHE 141 1.000 42.022-105.689 68.253 -99.200 -91.000 TYR 148 0.840 60.900 -97.565 69.770 -99.200 -91.000 PHE 156 1.000 53.977 -77.739 88.427 -99.200 -91.000 TYR 158 0.840 45.644 -72.035 83.680 -99.200 -91.000 PHE 165 1.000 63.419 -86.957 84.590 -99.200 -91.000 TRP 174 1.040 52.882 -99.866 79.963 -99.200 -91.000 TRP6 174 1.020 52.025-100.373 82.109 -99.200 -91.000 TYR 179 0.840 63.807 -86.348 78.842 -99.200 -91.000 HIS 183 0.900 58.789 -81.457 70.957 -99.200 -91.000 PHE 195 1.000 66.009 -74.776 83.590 -99.200 -91.000 PHE 197 1.000 74.697 -82.094 78.842 -99.200 -91.000 PHE 212 1.000 61.668 -86.072 69.402 -99.200 -91.000 HIS 216 0.900 67.516 -74.522 62.225 -99.200 -91.000 TYR 252 0.840 74.400 -98.744 90.626 -99.200 -91.000 TYR 253 0.840 69.797 -97.802 83.285 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nxhH1 LYS 4003 HA 0.10 -0.08 0.22 -0.75 4.32 3.80 2nxhH1 LYS 4003 HB2 0.08 0.36 0.08 -0.04 1.87 2.35 2nxhH1 LYS 4003 HB3 0.07 -0.07 0.03 -0.04 1.79 1.78 2nxhH1 LYS 4003 HG2 0.05 -0.07 -0.05 -0.04 1.46 1.35 2nxhH1 LYS 4003 HG3 0.04 -0.05 -0.27 -0.04 1.46 1.14 2nxhH1 LYS 4003 HD2 0.06 -0.07 -0.20 -0.04 1.69 1.45 2nxhH1 LYS 4003 HD3 0.07 0.06 -0.61 -0.04 1.68 1.16 2nxhH1 LYS 4003 HE2 0.06 0.00 -0.06 -0.04 2.99 2.96 2nxhH1 LYS 4003 HE3 0.05 -0.08 -0.05 -0.04 2.99 2.88 2nxhH1 PHE 4004 H 0.20 0.13 0.16 -0.55 8.34 8.28 2nxhH1 PHE 4004 HA 0.00 0.19 0.56 -0.75 4.62 4.62 2nxhH1 PHE 4004 HB2 -0.01 -0.00 0.11 -0.04 3.15 3.21 2nxhH1 PHE 4004 HB3 -0.07 -0.08 0.01 -0.04 3.06 2.88 2nxhH1 PHE 4004 HD2 -0.04 -0.00 -0.13 -0.04 7.28 7.07 2nxhH1 PHE 4004 HE2 0.01 0.11 -0.12 -0.04 7.38 7.33 2nxhH1 PHE 4004 HZ 0.04 -0.06 -0.25 -0.04 7.32 7.01 2nxhH1 LEU 4005 H -0.65 0.50 0.45 -0.55 8.37 8.13 2nxhH1 LEU 4005 HA -0.21 0.31 0.90 -0.75 4.35 4.59 2nxhH1 LEU 4005 HB2 -0.18 0.14 0.09 -0.04 1.64 1.65 2nxhH1 LEU 4005 HB3 -0.34 -0.16 0.12 -0.04 1.64 1.21 2nxhH1 LEU 4005 HG -0.24 -0.13 -0.26 -0.04 1.64 0.97 2nxhH1 LEU 4005 HD13 -0.11 0.13 -0.09 -0.04 0.93 0.83 2nxhH1 LEU 4005 HD23 -0.36 -0.02 -0.18 -0.04 0.89 0.28 2nxhH1 VAL 4006 H -0.31 0.74 0.22 -0.55 8.24 8.34 2nxhH1 VAL 4006 HA -0.18 0.19 1.00 -0.75 4.13 4.38 2nxhH1 VAL 4006 HB -0.93 0.02 0.03 -0.04 2.12 1.20 2nxhH1 VAL 4006 HG13 -0.07 -0.03 -0.22 -0.04 0.97 0.62 2nxhH1 VAL 4006 HG23 -0.16 -0.00 -0.21 -0.04 0.95 0.53 2nxhH1 ILE 4007 H -0.15 0.58 0.22 -0.55 8.25 8.36 2nxhH1 ILE 4007 HA -0.12 0.31 0.93 -0.75 4.18 4.55 2nxhH1 ILE 4007 HB -0.14 -0.12 0.08 -0.04 1.89 1.68 2nxhH1 ILE 4007 HG12 -0.12 0.06 -0.17 -0.04 1.49 1.21 2nxhH1 ILE 4007 HG13 -0.17 -0.02 -0.29 -0.04 1.21 0.69 2nxhH1 ILE 4007 HG23 -0.25 -0.01 -0.27 -0.04 0.93 0.36 2nxhH1 ILE 4007 HD13 -0.12 -0.02 -0.26 -0.04 0.88 0.44 2nxhH1 ALA 4008 H -0.15 0.68 0.36 -0.55 8.40 8.74 2nxhH1 ALA 4008 HA -0.37 0.14 0.74 -0.75 4.34 4.09 2nxhH1 ALA 4008 HB3 -0.07 -0.01 -0.08 -0.04 1.41 1.21 2nxhH1 GLY 4009 H -0.28 0.27 0.33 -0.55 8.43 8.20 2nxhH1 GLY 4009 HA2 -0.46 -0.01 0.36 -0.51 4.01 3.39 2nxhH1 GLY 4009 HA3 -0.85 0.36 0.67 -0.51 4.01 3.67 2nxhH1 PRO 4010 HA -0.01 0.25 0.75 -0.51 4.44 4.93 2nxhH1 PRO 4010 HB2 0.07 -0.01 0.10 -0.04 2.28 2.40 2nxhH1 PRO 4010 HB3 -0.03 0.00 0.17 -0.04 2.02 2.13 2nxhH1 PRO 4010 HG2 0.06 0.02 -0.02 -0.04 2.03 2.04 2nxhH1 PRO 4010 HG3 0.12 -0.07 -0.00 -0.04 2.03 2.04 2nxhH1 PRO 4010 HD2 -0.46 0.27 0.24 -0.04 3.68 3.69 2nxhH1 PRO 4010 HD3 -0.07 0.06 0.18 -0.04 3.65 3.78 2nxhH1 ASN 4011 H 0.04 0.12 0.15 -0.55 8.53 8.30 2nxhH1 ASN 4011 HA 0.05 0.07 0.28 -0.75 4.76 4.40 2nxhH1 ASN 4011 HB2 0.03 0.04 0.05 -0.04 2.88 2.95 2nxhH1 ASN 4011 HB3 0.06 -0.04 0.05 -0.04 2.79 2.82 2nxhH1 ASN 4011 HD21 0.23 -0.02 -0.12 -0.04 7.03 7.08 2nxhH1 ASN 4011 HD22 0.13 0.00 -0.08 -0.04 7.74 7.75 2nxhH1 ALA 4012 H 0.10 0.06 -0.09 -0.55 8.40 7.93 2nxhH1 ALA 4012 HA 0.14 0.25 0.92 -0.75 4.34 4.91 2nxhH1 ALA 4012 HB3 0.25 -0.00 -0.18 -0.04 1.41 1.44 2nxhH1 ILE 4013 H 0.24 0.58 0.05 -0.55 8.25 8.57 2nxhH1 ILE 4013 HA 0.22 0.09 0.51 -0.75 4.18 4.25 2nxhH1 ILE 4013 HB 0.33 -0.00 0.15 -0.04 1.89 2.33 2nxhH1 ILE 4013 HG12 0.23 0.03 -0.20 -0.04 1.49 1.50 2nxhH1 ILE 4013 HG13 0.21 0.07 -0.46 -0.04 1.21 0.99 2nxhH1 ILE 4013 HG23 0.32 -0.01 -0.13 -0.04 0.93 1.07 2nxhH1 ILE 4013 HD13 0.26 0.01 -0.18 -0.04 0.88 0.93 2nxhH1 GLU 4014 H 0.17 0.43 -0.02 -0.55 8.60 8.63 2nxhH1 GLU 4014 HA 0.17 0.06 0.33 -0.75 4.29 4.10 2nxhH1 GLU 4014 HB2 0.06 -0.04 0.06 -0.04 2.09 2.13 2nxhH1 GLU 4014 HB3 -0.09 0.05 0.07 -0.04 1.99 1.97 2nxhH1 GLU 4014 HG2 -0.16 -0.04 -0.06 -0.04 2.34 2.03 2nxhH1 GLU 4014 HG3 0.08 0.24 0.06 -0.04 2.34 2.68 2nxhH1 SER 4015 H 0.20 0.20 -0.11 -0.55 8.46 8.20 2nxhH1 SER 4015 HA 0.28 0.18 0.36 -0.75 4.49 4.56 2nxhH1 SER 4015 HB2 0.10 -0.04 0.15 -0.04 3.95 4.12 2nxhH1 SER 4015 HB3 0.10 0.34 -0.01 -0.04 3.93 4.31 2nxhH1 GLU 4016 H 0.20 0.27 0.14 -0.55 8.60 8.67 2nxhH1 GLU 4016 HA 0.04 0.11 0.44 -0.75 4.29 4.13 2nxhH1 GLU 4016 HB2 -0.02 0.10 0.07 -0.04 2.09 2.19 2nxhH1 GLU 4016 HB3 -0.06 0.06 0.13 -0.04 1.99 2.08 2nxhH1 GLU 4016 HG2 0.09 0.01 0.10 -0.04 2.34 2.50 2nxhH1 GLU 4016 HG3 0.05 -0.07 -0.04 -0.04 2.34 2.24 2nxhH1 GLU 4017 H 0.07 0.07 -0.20 -0.55 8.60 7.99 2nxhH1 GLU 4017 HA 0.03 0.15 0.40 -0.75 4.29 4.13 2nxhH1 GLU 4017 HB2 0.04 0.02 0.07 -0.04 2.09 2.18 2nxhH1 GLU 4017 HB3 0.04 -0.02 0.00 -0.04 1.99 1.96 2nxhH1 GLU 4017 HG2 0.02 0.01 -0.11 -0.04 2.34 2.22 2nxhH1 GLU 4017 HG3 0.02 0.03 0.04 -0.04 2.34 2.39 2nxhH1 LEU 4018 H 0.06 0.07 -0.26 -0.55 8.37 7.69 2nxhH1 LEU 4018 HA -0.02 0.08 0.41 -0.75 4.35 4.06 2nxhH1 LEU 4018 HB2 0.01 0.00 0.09 -0.04 1.64 1.70 2nxhH1 LEU 4018 HB3 0.07 0.04 0.16 -0.04 1.64 1.87 2nxhH1 LEU 4018 HG -0.04 0.05 -0.18 -0.04 1.64 1.44 2nxhH1 LEU 4018 HD13 -0.39 -0.00 0.08 -0.04 0.93 0.58 2nxhH1 LEU 4018 HD23 0.04 -0.01 0.09 -0.04 0.89 0.98 2nxhH1 LEU 4019 H 0.09 0.35 -0.16 -0.55 8.37 8.10 2nxhH1 LEU 4019 HA 0.25 0.05 0.37 -0.75 4.35 4.27 2nxhH1 LEU 4019 HB2 0.05 0.10 0.13 -0.04 1.64 1.88 2nxhH1 LEU 4019 HB3 0.03 0.06 -0.04 -0.04 1.64 1.64 2nxhH1 LEU 4019 HG 0.15 0.05 -0.01 -0.04 1.64 1.80 2nxhH1 LEU 4019 HD13 0.14 0.01 -0.17 -0.04 0.93 0.87 2nxhH1 LEU 4019 HD23 0.29 -0.02 -0.06 -0.04 0.89 1.06 2nxhH1 LEU 4020 H 0.05 0.56 -0.10 -0.55 8.37 8.33 2nxhH1 LEU 4020 HA 0.21 0.07 0.43 -0.75 4.35 4.31 2nxhH1 LEU 4020 HB2 0.07 0.03 0.11 -0.04 1.64 1.81 2nxhH1 LEU 4020 HB3 0.17 0.01 0.03 -0.04 1.64 1.81 2nxhH1 LEU 4020 HG 0.03 0.19 0.11 -0.04 1.64 1.93 2nxhH1 LEU 4020 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 2nxhH1 LEU 4020 HD23 0.02 -0.00 -0.10 -0.04 0.89 0.77 2nxhH1 LYS 4021 H 0.03 0.42 -0.30 -0.55 8.42 8.02 2nxhH1 LYS 4021 HA 0.00 0.06 0.48 -0.75 4.32 4.11 2nxhH1 LYS 4021 HB2 0.00 0.13 0.16 -0.04 1.87 2.11 2nxhH1 LYS 4021 HB3 -0.03 0.04 0.15 -0.04 1.79 1.91 2nxhH1 LYS 4021 HG2 -0.03 -0.04 -0.03 -0.04 1.46 1.31 2nxhH1 LYS 4021 HG3 -0.01 0.01 0.07 -0.04 1.46 1.49 2nxhH1 LYS 4021 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 2nxhH1 LYS 4021 HD3 -0.04 -0.06 0.01 -0.04 1.68 1.54 2nxhH1 LYS 4021 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2nxhH1 LYS 4021 HE3 -0.02 -0.02 0.00 -0.04 2.99 2.91 2nxhH1 VAL 4022 H 0.02 0.52 -0.04 -0.55 8.24 8.20 2nxhH1 VAL 4022 HA -0.03 0.01 0.54 -0.75 4.13 3.89 2nxhH1 VAL 4022 HB 0.21 0.12 0.14 -0.04 2.12 2.55 2nxhH1 VAL 4022 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.80 2nxhH1 VAL 4022 HG23 -0.06 0.01 0.01 -0.04 0.95 0.88 2nxhH1 GLY 4023 H -0.02 0.71 -0.04 -0.55 8.43 8.54 2nxhH1 GLY 4023 HA2 -0.12 0.02 0.38 -0.51 4.01 3.78 2nxhH1 GLY 4023 HA3 -0.45 0.09 0.31 -0.51 4.01 3.45 2nxhH1 GLU 4024 H -0.40 0.41 -0.39 -0.55 8.60 7.67 2nxhH1 GLU 4024 HA -0.89 0.08 0.40 -0.75 4.29 3.13 2nxhH1 GLU 4024 HB2 -0.07 0.14 0.16 -0.04 2.09 2.27 2nxhH1 GLU 4024 HB3 -0.12 0.07 0.13 -0.04 1.99 2.02 2nxhH1 GLU 4024 HG2 -0.06 -0.04 -0.12 -0.04 2.34 2.07 2nxhH1 GLU 4024 HG3 0.03 0.02 0.05 -0.04 2.34 2.40 2nxhH1 GLU 4025 H -0.16 0.30 -0.17 -0.55 8.60 8.02 2nxhH1 GLU 4025 HA -0.11 0.03 0.45 -0.75 4.29 3.91 2nxhH1 GLU 4025 HB2 -0.07 -0.00 0.11 -0.04 2.09 2.09 2nxhH1 GLU 4025 HB3 -0.07 0.09 0.13 -0.04 1.99 2.10 2nxhH1 GLU 4025 HG2 -0.04 -0.04 -0.05 -0.04 2.34 2.18 2nxhH1 GLU 4025 HG3 -0.05 0.00 -0.18 -0.04 2.34 2.07 2nxhH1 ILE 4026 H -0.14 0.61 -0.14 -0.55 8.25 8.03 2nxhH1 ILE 4026 HA -0.21 -0.03 0.35 -0.75 4.18 3.53 2nxhH1 ILE 4026 HB -0.01 0.09 0.08 -0.04 1.89 2.01 2nxhH1 ILE 4026 HG12 -0.01 -0.07 -0.08 -0.04 1.49 1.29 2nxhH1 ILE 4026 HG13 -0.00 0.09 -0.03 -0.04 1.21 1.23 2nxhH1 ILE 4026 HG23 -0.03 0.01 -0.18 -0.04 0.93 0.69 2nxhH1 ILE 4026 HD13 0.06 -0.04 -0.22 -0.04 0.88 0.63 2nxhH1 LYS 4027 H -0.32 0.58 -0.25 -0.55 8.42 7.87 2nxhH1 LYS 4027 HA -0.15 0.08 0.42 -0.75 4.32 3.91 2nxhH1 LYS 4027 HB2 -0.33 0.06 0.14 -0.04 1.87 1.70 2nxhH1 LYS 4027 HB3 -0.26 0.09 0.22 -0.04 1.79 1.80 2nxhH1 LYS 4027 HG2 0.19 -0.02 0.04 -0.04 1.46 1.63 2nxhH1 LYS 4027 HG3 -0.01 -0.08 -0.16 -0.04 1.46 1.17 2nxhH1 LYS 4027 HD2 -0.01 -0.11 0.10 -0.04 1.69 1.63 2nxhH1 LYS 4027 HD3 0.08 0.20 0.11 -0.04 1.68 2.03 2nxhH1 LYS 4027 HE2 0.11 -0.01 0.02 -0.04 2.99 3.07 2nxhH1 LYS 4027 HE3 0.04 -0.12 -0.01 -0.04 2.99 2.86 2nxhH1 ARG 4028 H -0.17 0.53 -0.11 -0.55 8.46 8.16 2nxhH1 ARG 4028 HA -0.08 0.02 0.40 -0.75 4.34 3.91 2nxhH1 ARG 4028 HB2 -0.08 0.05 0.15 -0.04 1.90 1.98 2nxhH1 ARG 4028 HB3 -0.10 0.10 0.18 -0.04 1.80 1.94 2nxhH1 ARG 4028 HG2 -0.07 -0.03 -0.14 -0.04 1.67 1.39 2nxhH1 ARG 4028 HG3 -0.06 -0.01 0.05 -0.04 1.67 1.61 2nxhH1 ARG 4028 HD2 -0.04 -0.02 -0.01 -0.04 3.22 3.10 2nxhH1 ARG 4028 HD3 -0.05 -0.00 0.00 -0.04 3.22 3.13 2nxhH1 LEU 4029 H -0.20 0.58 -0.13 -0.55 8.37 8.08 2nxhH1 LEU 4029 HA -0.01 -0.04 0.42 -0.75 4.35 3.96 2nxhH1 LEU 4029 HB2 -0.46 0.14 0.09 -0.04 1.64 1.37 2nxhH1 LEU 4029 HB3 0.00 -0.02 -0.06 -0.04 1.64 1.53 2nxhH1 LEU 4029 HG 0.13 -0.05 -0.11 -0.04 1.64 1.57 2nxhH1 LEU 4029 HD13 0.23 -0.04 -0.03 -0.04 0.93 1.04 2nxhH1 LEU 4029 HD23 -0.05 0.01 -0.12 -0.04 0.89 0.69 2nxhH1 SER 4030 H -0.43 0.50 -0.34 -0.55 8.46 7.64 2nxhH1 SER 4030 HA -0.15 0.03 0.36 -0.75 4.49 3.98 2nxhH1 SER 4030 HB2 -0.29 -0.06 0.12 -0.04 3.95 3.69 2nxhH1 SER 4030 HB3 -0.15 0.28 0.28 -0.04 3.93 4.29 2nxhH1 GLU 4031 H -0.09 0.42 -0.19 -0.55 8.60 8.20 2nxhH1 GLU 4031 HA -0.00 0.04 0.42 -0.75 4.29 3.99 2nxhH1 GLU 4031 HB2 -0.06 0.08 0.14 -0.04 2.09 2.21 2nxhH1 GLU 4031 HB3 -0.03 -0.09 0.04 -0.04 1.99 1.87 2nxhH1 GLU 4031 HG2 -0.04 0.30 0.05 -0.04 2.34 2.60 2nxhH1 GLU 4031 HG3 -0.03 -0.11 -0.01 -0.04 2.34 2.14 2nxhH1 LYS 4032 H -0.10 0.42 -0.14 -0.55 8.42 8.05 2nxhH1 LYS 4032 HA -0.16 0.03 0.50 -0.75 4.32 3.93 2nxhH1 LYS 4032 HB2 -0.22 -0.03 0.09 -0.04 1.87 1.67 2nxhH1 LYS 4032 HB3 -0.37 0.03 0.16 -0.04 1.79 1.56 2nxhH1 LYS 4032 HG2 -1.13 0.01 -0.27 -0.04 1.46 0.03 2nxhH1 LYS 4032 HG3 -0.37 -0.03 0.04 -0.04 1.46 1.06 2nxhH1 LYS 4032 HD2 -0.25 -0.03 -0.02 -0.04 1.69 1.36 2nxhH1 LYS 4032 HD3 -0.53 -0.03 -0.03 -0.04 1.68 1.05 2nxhH1 LYS 4032 HE2 -0.58 0.01 -0.05 -0.04 2.99 2.32 2nxhH1 LYS 4032 HE3 -0.25 0.00 -0.02 -0.04 2.99 2.68 2nxhH1 PHE 4033 H 0.12 0.84 -0.07 -0.55 8.34 8.68 2nxhH1 PHE 4033 HA 0.09 0.08 0.87 -0.75 4.62 4.91 2nxhH1 PHE 4033 HB2 0.40 0.13 0.15 -0.04 3.15 3.79 2nxhH1 PHE 4033 HB3 0.18 -0.08 0.09 -0.04 3.06 3.20 2nxhH1 PHE 4033 HD2 0.13 0.05 -0.01 -0.04 7.28 7.42 2nxhH1 PHE 4033 HE2 0.05 -0.05 -0.03 -0.04 7.38 7.31 2nxhH1 PHE 4033 HZ 0.04 -0.01 -0.02 -0.04 7.32 7.28 2nxhH1 LYS 4034 H 0.10 0.26 -0.19 -0.55 8.42 8.05 2nxhH1 LYS 4034 HA 0.14 0.24 0.42 -0.75 4.32 4.37 2nxhH1 LYS 4034 HB2 0.07 -0.08 0.05 -0.04 1.87 1.87 2nxhH1 LYS 4034 HB3 0.07 -0.03 0.10 -0.04 1.79 1.89 2nxhH1 LYS 4034 HG2 0.03 0.15 0.02 -0.04 1.46 1.63 2nxhH1 LYS 4034 HG3 0.03 -0.10 0.06 -0.04 1.46 1.41 2nxhH1 LYS 4034 HD2 0.05 -0.09 0.07 -0.04 1.69 1.69 2nxhH1 LYS 4034 HD3 0.07 0.27 0.07 -0.04 1.68 2.05 2nxhH1 LYS 4034 HE2 0.01 0.40 0.22 -0.04 2.99 3.57 2nxhH1 LYS 4034 HE3 0.02 -0.13 0.07 -0.04 2.99 2.91 2nxhH1 GLU 4035 H 0.18 -0.02 -0.44 -0.55 8.60 7.77 2nxhH1 GLU 4035 HA 0.09 0.15 0.55 -0.75 4.29 4.32 2nxhH1 GLU 4035 HB2 0.10 -0.04 0.05 -0.04 2.09 2.15 2nxhH1 GLU 4035 HB3 0.13 -0.03 -0.01 -0.04 1.99 2.04 2nxhH1 GLU 4035 HG2 0.06 -0.03 0.04 -0.04 2.34 2.37 2nxhH1 GLU 4035 HG3 0.08 -0.03 0.11 -0.04 2.34 2.46 2nxhH1 VAL 4036 H 0.20 0.55 -0.37 -0.55 8.24 8.07 2nxhH1 VAL 4036 HA 0.04 0.20 0.93 -0.75 4.13 4.54 2nxhH1 VAL 4036 HB 0.14 0.14 0.04 -0.04 2.12 2.40 2nxhH1 VAL 4036 HG13 -0.70 -0.01 -0.30 -0.04 0.97 -0.08 2nxhH1 VAL 4036 HG23 -0.03 -0.06 -0.15 -0.04 0.95 0.67 2nxhH1 GLU 4037 H -0.07 0.74 0.16 -0.55 8.60 8.88 2nxhH1 GLU 4037 HA 0.08 0.18 0.86 -0.75 4.29 4.65 2nxhH1 GLU 4037 HB2 0.02 0.09 -0.08 -0.04 2.09 2.08 2nxhH1 GLU 4037 HB3 -0.04 -0.11 0.06 -0.04 1.99 1.86 2nxhH1 GLU 4037 HG2 0.05 0.02 -0.08 -0.04 2.34 2.29 2nxhH1 GLU 4037 HG3 0.05 0.03 -0.02 -0.04 2.34 2.36 2nxhH1 PHE 4038 H 0.31 0.25 0.09 -0.55 8.34 8.43 2nxhH1 PHE 4038 HA -0.00 0.26 0.87 -0.75 4.62 4.99 2nxhH1 PHE 4038 HB2 0.04 0.03 0.10 -0.04 3.15 3.28 2nxhH1 PHE 4038 HB3 0.03 -0.05 -0.08 -0.04 3.06 2.93 2nxhH1 PHE 4038 HD2 0.03 0.07 -0.07 -0.04 7.28 7.27 2nxhH1 PHE 4038 HE2 0.09 0.05 -0.11 -0.04 7.38 7.37 2nxhH1 PHE 4038 HZ 0.09 -0.07 -0.14 -0.04 7.32 7.16 2nxhH1 VAL 4039 H 0.04 0.58 0.33 -0.55 8.24 8.64 2nxhH1 VAL 4039 HA 0.10 0.19 0.79 -0.75 4.13 4.46 2nxhH1 VAL 4039 HB -0.06 -0.12 -0.05 -0.04 2.12 1.85 2nxhH1 VAL 4039 HG13 0.02 -0.01 -0.44 -0.04 0.97 0.49 2nxhH1 VAL 4039 HG23 -0.03 0.03 -0.33 -0.04 0.95 0.58 2nxhH1 PHE 4040 H 0.22 0.75 0.17 -0.55 8.34 8.92 2nxhH1 PHE 4040 HA -0.01 0.29 0.78 -0.75 4.62 4.93 2nxhH1 PHE 4040 HB2 0.01 -0.00 0.05 -0.04 3.15 3.17 2nxhH1 PHE 4040 HB3 0.02 0.05 0.14 -0.04 3.06 3.23 2nxhH1 PHE 4040 HD2 -0.01 -0.02 -0.19 -0.04 7.28 7.02 2nxhH1 PHE 4040 HE2 -0.02 -0.11 -0.19 -0.04 7.38 7.03 2nxhH1 PHE 4040 HZ -0.00 -0.14 0.05 -0.04 7.32 7.19 2nxhH1 LYS 4041 H -0.59 0.50 0.09 -0.55 8.42 7.87 2nxhH1 LYS 4041 HA -0.04 0.42 1.09 -0.75 4.32 5.05 2nxhH1 LYS 4041 HB2 -0.17 0.00 -0.29 -0.04 1.87 1.36 2nxhH1 LYS 4041 HB3 -0.38 -0.08 -0.27 -0.04 1.79 1.02 2nxhH1 LYS 4041 HG2 0.01 0.06 -0.18 -0.04 1.46 1.31 2nxhH1 LYS 4041 HG3 0.06 -0.07 -0.28 -0.04 1.46 1.13 2nxhH1 LYS 4041 HD2 -0.19 -0.06 -0.37 -0.04 1.69 1.02 2nxhH1 LYS 4041 HD3 -0.07 0.13 -0.76 -0.04 1.68 0.94 2nxhH1 LYS 4041 HE2 0.10 -0.07 -0.21 -0.04 2.99 2.76 2nxhH1 LYS 4041 HE3 0.36 -0.03 -0.22 -0.04 2.99 3.06 2nxhH1 SER 4042 H 0.04 0.42 0.18 -0.55 8.46 8.55 2nxhH1 SER 4042 HA -0.00 0.27 0.28 -0.75 4.49 4.27 2nxhH1 SER 4042 HB2 0.02 0.15 -0.18 -0.04 3.95 3.89 2nxhH1 SER 4042 HB3 0.22 -0.10 -0.16 -0.04 3.93 3.85 2nxhH1 SER 4043 H 0.08 0.67 0.20 -0.55 8.46 8.85 2nxhH1 SER 4043 HA 0.03 0.02 0.74 -0.75 4.49 4.52 2nxhH1 SER 4043 HB2 0.04 0.00 0.09 -0.04 3.95 4.04 2nxhH1 SER 4043 HB3 -0.06 0.02 0.01 -0.04 3.93 3.85 2nxhH1 PHE 4044 H -0.07 0.22 0.23 -0.55 8.34 8.17 2nxhH1 PHE 4044 HA 0.15 0.09 0.59 -0.75 4.62 4.70 2nxhH1 PHE 4044 HB2 0.13 -0.02 0.05 -0.04 3.15 3.27 2nxhH1 PHE 4044 HB3 0.10 0.09 0.07 -0.04 3.06 3.28 2nxhH1 PHE 4044 HD2 0.07 -0.03 -0.21 -0.04 7.28 7.06 2nxhH1 PHE 4044 HE2 0.01 0.04 -0.02 -0.04 7.38 7.36 2nxhH1 PHE 4044 HZ -0.06 -0.10 0.07 -0.04 7.32 7.19 2nxhH1 ASP 4045 H -0.46 0.11 -0.16 -0.55 8.40 7.34 2nxhH1 ASP 4045 HA -0.14 0.37 0.53 -0.75 4.63 4.64 2nxhH1 ASP 4045 HB2 0.05 -0.01 -0.24 -0.04 2.71 2.47 2nxhH1 ASP 4045 HB3 -0.51 -0.05 -0.06 -0.04 2.70 2.04 2nxhH1 LYS 4046 H -0.17 0.61 0.16 -0.55 8.42 8.46 2nxhH1 LYS 4046 HA -0.10 0.07 0.72 -0.75 4.32 4.26 2nxhH1 LYS 4046 HB2 -0.05 0.16 0.35 -0.04 1.87 2.28 2nxhH1 LYS 4046 HB3 -0.00 -0.07 0.09 -0.04 1.79 1.77 2nxhH1 LYS 4046 HG2 0.03 0.14 -0.08 -0.04 1.46 1.51 2nxhH1 LYS 4046 HG3 0.11 0.01 -0.08 -0.04 1.46 1.46 2nxhH1 LYS 4046 HD2 -0.00 -0.04 -0.40 -0.04 1.69 1.21 2nxhH1 LYS 4046 HD3 0.09 -0.02 -0.24 -0.04 1.68 1.48 2nxhH1 LYS 4046 HE2 0.07 -0.03 -0.11 -0.04 2.99 2.88 2nxhH1 LYS 4046 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.91 2nxhH1 ALA 4047 H -0.42 0.27 -0.11 -0.55 8.40 7.60 2nxhH1 ALA 4047 HA -0.17 0.18 0.50 -0.75 4.34 4.09 2nxhH1 ALA 4047 HB3 -0.47 0.00 -0.01 -0.04 1.41 0.90 2nxhH1 ASN 4048 H -0.04 0.00 -0.39 -0.55 8.53 7.55 2nxhH1 ASN 4048 HA 0.05 0.33 0.92 -0.75 4.76 5.30 2nxhH1 ASN 4048 HB2 0.31 0.05 0.11 -0.04 2.88 3.31 2nxhH1 ASN 4048 HB3 0.16 -0.02 -0.15 -0.04 2.79 2.74 2nxhH1 ASN 4048 HD21 -0.13 -0.01 -0.06 -0.04 7.03 6.80 2nxhH1 ASN 4048 HD22 -0.04 -0.02 -0.02 -0.04 7.74 7.62 2nxhH1 ARG 4049 H -0.00 0.20 -0.21 -0.55 8.46 7.89 2nxhH1 ARG 4049 HA 0.05 -0.02 0.37 -0.75 4.34 3.99 2nxhH1 ARG 4049 HB2 0.01 0.16 -0.05 -0.04 1.90 1.98 2nxhH1 ARG 4049 HB3 0.04 -0.16 0.09 -0.04 1.80 1.73 2nxhH1 ARG 4049 HG2 -0.02 0.14 0.04 -0.04 1.67 1.79 2nxhH1 ARG 4049 HG3 0.02 0.15 -0.07 -0.04 1.67 1.72 2nxhH1 ARG 4049 HD2 0.04 -0.12 -0.04 -0.04 3.22 3.06 2nxhH1 ARG 4049 HD3 0.05 0.05 0.06 -0.04 3.22 3.33 2nxhH1 SER 4050 H 0.06 0.06 0.19 -0.55 8.46 8.22 2nxhH1 SER 4050 HA 0.04 0.15 0.47 -0.75 4.49 4.40 2nxhH1 SER 4050 HB2 0.04 -0.05 0.11 -0.04 3.95 4.02 2nxhH1 SER 4050 HB3 0.04 0.04 0.08 -0.04 3.93 4.04 2nxhH1 SER 4051 H 0.04 0.02 -0.07 -0.55 8.46 7.91 2nxhH1 SER 4051 HA 0.04 0.30 1.05 -0.75 4.49 5.13 2nxhH1 SER 4051 HB2 0.07 0.11 -0.03 -0.04 3.95 4.06 2nxhH1 SER 4051 HB3 0.08 -0.03 0.07 -0.04 3.93 4.02 2nxhH1 ILE 4052 H -0.00 0.20 0.14 -0.55 8.25 8.04 2nxhH1 ILE 4052 HA -0.05 0.15 0.39 -0.75 4.18 3.91 2nxhH1 ILE 4052 HB -0.07 0.03 0.10 -0.04 1.89 1.91 2nxhH1 ILE 4052 HG12 -0.11 -0.01 0.01 -0.04 1.49 1.34 2nxhH1 ILE 4052 HG13 -0.14 0.03 0.07 -0.04 1.21 1.13 2nxhH1 ILE 4052 HG23 -0.30 -0.00 -0.06 -0.04 0.93 0.53 2nxhH1 ILE 4052 HD13 -0.05 0.01 0.03 -0.04 0.88 0.82 2nxhH1 HIS 4053 H 0.08 -0.07 -0.32 -0.55 8.41 7.56 2nxhH1 HIS 4053 HA 0.01 0.17 0.57 -0.75 4.63 4.62 2nxhH1 HIS 4053 HB2 0.01 -0.06 -0.00 -0.04 3.26 3.17 2nxhH1 HIS 4053 HB3 0.02 0.03 0.01 -0.04 3.20 3.21 2nxhH1 HIS 4053 HD2 0.01 0.03 0.00 -0.04 6.97 6.97 2nxhH1 HIS 4053 HE1 0.00 0.02 -0.01 -0.04 7.75 7.72 2nxhH1 SER 4054 H 0.08 0.10 -0.31 -0.55 8.46 7.79 2nxhH1 SER 4054 HA 0.10 0.05 0.43 -0.75 4.49 4.33 2nxhH1 SER 4054 HB2 0.05 0.10 0.06 -0.04 3.95 4.11 2nxhH1 SER 4054 HB3 0.08 0.04 0.14 -0.04 3.93 4.15 2nxhH1 PHE 4055 H 0.21 0.12 0.21 -0.55 8.34 8.33 2nxhH1 PHE 4055 HA -0.02 0.06 0.50 -0.75 4.62 4.40 2nxhH1 PHE 4055 HB2 -0.00 0.03 0.17 -0.04 3.15 3.31 2nxhH1 PHE 4055 HB3 -0.00 0.20 0.17 -0.04 3.06 3.39 2nxhH1 PHE 4055 HD2 -0.03 0.04 -0.17 -0.04 7.28 7.08 2nxhH1 PHE 4055 HE2 -0.12 0.00 -0.21 -0.04 7.38 7.01 2nxhH1 PHE 4055 HZ -0.17 0.10 -0.12 -0.04 7.32 7.09 2nxhH1 ARG 4056 H -0.79 0.05 0.23 -0.55 8.46 7.39 2nxhH1 ARG 4056 HA -0.24 0.19 1.02 -0.75 4.34 4.55 2nxhH1 ARG 4056 HB2 -0.28 0.03 0.14 -0.04 1.90 1.74 2nxhH1 ARG 4056 HB3 -0.22 -0.13 -0.05 -0.04 1.80 1.37 2nxhH1 ARG 4056 HG2 -0.12 0.22 0.02 -0.04 1.67 1.75 2nxhH1 ARG 4056 HG3 -0.12 0.17 -0.18 -0.04 1.67 1.49 2nxhH1 ARG 4056 HD2 -0.07 0.03 -0.04 -0.04 3.22 3.10 2nxhH1 ARG 4056 HD3 -0.10 -0.01 -0.02 -0.04 3.22 3.05 2nxhH1 GLY 4057 H -1.06 0.18 0.24 -0.55 8.43 7.24 2nxhH1 GLY 4057 HA2 -0.62 0.08 0.23 -0.51 4.01 3.19 2nxhH1 GLY 4057 HA3 -0.23 0.27 0.75 -0.51 4.01 4.29 2nxhH1 HIS 4058 H 0.09 0.25 0.16 -0.55 8.41 8.37 2nxhH1 HIS 4058 HA -0.06 0.24 0.97 -0.75 4.63 5.02 2nxhH1 HIS 4058 HB2 -0.26 -0.00 0.10 -0.04 3.26 3.06 2nxhH1 HIS 4058 HB3 -0.34 -0.00 0.22 -0.04 3.20 3.04 2nxhH1 HIS 4058 HD2 0.16 0.12 -0.02 -0.04 6.97 7.19 2nxhH1 HIS 4058 HE1 0.13 -0.00 0.02 -0.04 7.75 7.86 2nxhH1 GLY 4059 H 0.13 0.16 -0.14 -0.55 8.43 8.03 2nxhH1 GLY 4059 HA2 0.18 0.03 0.33 -0.51 4.01 4.05 2nxhH1 GLY 4059 HA3 0.15 0.20 0.74 -0.51 4.01 4.59 2nxhH1 LEU 4060 H 0.15 0.19 0.12 -0.55 8.37 8.29 2nxhH1 LEU 4060 HA -0.59 0.06 0.39 -0.75 4.35 3.46 2nxhH1 LEU 4060 HB2 -0.26 0.00 0.12 -0.04 1.64 1.46 2nxhH1 LEU 4060 HB3 0.00 -0.01 0.13 -0.04 1.64 1.72 2nxhH1 LEU 4060 HG -0.23 0.06 -0.18 -0.04 1.64 1.25 2nxhH1 LEU 4060 HD13 -1.44 -0.01 0.02 -0.04 0.93 -0.53 2nxhH1 LEU 4060 HD23 -0.32 0.02 0.01 -0.04 0.89 0.57 2nxhH1 GLU 4061 H 0.06 0.10 -0.08 -0.55 8.60 8.13 2nxhH1 GLU 4061 HA 0.00 0.13 0.38 -0.75 4.29 4.05 2nxhH1 GLU 4061 HB2 0.09 -0.05 0.10 -0.04 2.09 2.20 2nxhH1 GLU 4061 HB3 0.06 0.08 -0.02 -0.04 1.99 2.08 2nxhH1 GLU 4061 HG2 0.05 0.08 0.03 -0.04 2.34 2.46 2nxhH1 GLU 4061 HG3 0.07 -0.09 0.07 -0.04 2.34 2.35 2nxhH1 TYR 4062 H 0.22 0.14 -0.19 -0.55 8.29 7.91 2nxhH1 TYR 4062 HA 0.04 0.05 0.38 -0.75 4.56 4.28 2nxhH1 TYR 4062 HB2 0.08 0.05 0.11 -0.04 3.06 3.25 2nxhH1 TYR 4062 HB3 0.13 0.11 -0.06 -0.04 2.98 3.12 2nxhH1 TYR 4062 HD2 0.11 0.02 -0.09 -0.04 7.15 7.15 2nxhH1 TYR 4062 HE2 0.05 0.01 -0.06 -0.04 6.85 6.81 2nxhH1 GLY 4063 H 0.21 0.52 -0.26 -0.55 8.43 8.35 2nxhH1 GLY 4063 HA2 0.16 -0.03 0.35 -0.51 4.01 3.98 2nxhH1 GLY 4063 HA3 0.22 0.02 0.31 -0.51 4.01 4.06 2nxhH1 VAL 4064 H -0.06 0.79 0.05 -0.55 8.24 8.47 2nxhH1 VAL 4064 HA -0.01 0.02 0.38 -0.75 4.13 3.76 2nxhH1 VAL 4064 HB -0.05 0.06 0.13 -0.04 2.12 2.21 2nxhH1 VAL 4064 HG13 -0.03 0.01 -0.12 -0.04 0.97 0.79 2nxhH1 VAL 4064 HG23 -0.15 0.03 -0.00 -0.04 0.95 0.79 2nxhH1 LYS 4065 H -0.06 0.45 -0.29 -0.55 8.42 7.97 2nxhH1 LYS 4065 HA -0.06 0.05 0.40 -0.75 4.32 3.96 2nxhH1 LYS 4065 HB2 -0.06 0.09 0.12 -0.04 1.87 1.98 2nxhH1 LYS 4065 HB3 -0.19 0.11 0.16 -0.04 1.79 1.83 2nxhH1 LYS 4065 HG2 -0.11 -0.04 -0.11 -0.04 1.46 1.16 2nxhH1 LYS 4065 HG3 -0.06 0.01 0.03 -0.04 1.46 1.41 2nxhH1 LYS 4065 HD2 -0.02 0.00 -0.02 -0.04 1.69 1.62 2nxhH1 LYS 4065 HD3 -0.06 -0.04 -0.00 -0.04 1.68 1.54 2nxhH1 LYS 4065 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.86 2nxhH1 LYS 4065 HE3 -0.02 0.03 -0.01 -0.04 2.99 2.94 2nxhH1 ALA 4066 H -0.20 0.57 -0.04 -0.55 8.40 8.18 2nxhH1 ALA 4066 HA -0.15 -0.02 0.46 -0.75 4.34 3.88 2nxhH1 ALA 4066 HB3 -0.17 -0.00 0.08 -0.04 1.41 1.28 2nxhH1 LEU 4067 H -0.00 0.69 -0.07 -0.55 8.37 8.44 2nxhH1 LEU 4067 HA -0.00 -0.03 0.35 -0.75 4.35 3.91 2nxhH1 LEU 4067 HB2 0.04 0.12 0.08 -0.04 1.64 1.84 2nxhH1 LEU 4067 HB3 0.07 0.02 -0.05 -0.04 1.64 1.64 2nxhH1 LEU 4067 HG 0.13 0.05 0.00 -0.04 1.64 1.77 2nxhH1 LEU 4067 HD13 0.15 -0.00 -0.11 -0.04 0.93 0.93 2nxhH1 LEU 4067 HD23 0.25 -0.00 -0.09 -0.04 0.89 1.00 2nxhH1 ARG 4068 H -0.04 0.46 -0.35 -0.55 8.46 7.99 2nxhH1 ARG 4068 HA -0.02 0.09 0.45 -0.75 4.34 4.10 2nxhH1 ARG 4068 HB2 -0.03 0.10 0.11 -0.04 1.90 2.04 2nxhH1 ARG 4068 HB3 -0.04 0.07 0.14 -0.04 1.80 1.93 2nxhH1 ARG 4068 HG2 -0.04 -0.06 -0.10 -0.04 1.67 1.44 2nxhH1 ARG 4068 HG3 -0.02 0.03 0.08 -0.04 1.67 1.71 2nxhH1 ARG 4068 HD2 -0.03 -0.06 -0.02 -0.04 3.22 3.07 2nxhH1 ARG 4068 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.14 2nxhH1 LYS 4069 H -0.07 0.44 -0.17 -0.55 8.42 8.07 2nxhH1 LYS 4069 HA -0.08 0.03 0.46 -0.75 4.32 3.98 2nxhH1 LYS 4069 HB2 -0.08 0.01 0.13 -0.04 1.87 1.90 2nxhH1 LYS 4069 HB3 -0.08 0.12 0.19 -0.04 1.79 1.98 2nxhH1 LYS 4069 HG2 -0.08 -0.07 -0.01 -0.04 1.46 1.27 2nxhH1 LYS 4069 HG3 -0.11 -0.01 -0.22 -0.04 1.46 1.08 2nxhH1 LYS 4069 HD2 -0.12 -0.00 0.01 -0.04 1.69 1.54 2nxhH1 LYS 4069 HD3 -0.11 -0.00 0.11 -0.04 1.68 1.64 2nxhH1 LYS 4069 HE2 -0.07 0.03 0.02 -0.04 2.99 2.93 2nxhH1 LYS 4069 HE3 -0.07 -0.05 0.00 -0.04 2.99 2.84 2nxhH1 VAL 4070 H -0.09 0.43 -0.15 -0.55 8.24 7.88 2nxhH1 VAL 4070 HA -0.00 -0.02 0.37 -0.75 4.13 3.72 2nxhH1 VAL 4070 HB -0.24 0.21 0.12 -0.04 2.12 2.16 2nxhH1 VAL 4070 HG13 -0.72 -0.01 -0.13 -0.04 0.97 0.07 2nxhH1 VAL 4070 HG23 -0.27 0.02 -0.08 -0.04 0.95 0.58 2nxhH1 LYS 4071 H -0.06 0.49 -0.23 -0.55 8.42 8.06 2nxhH1 LYS 4071 HA -0.00 0.05 0.44 -0.75 4.32 4.06 2nxhH1 LYS 4071 HB2 -0.00 0.04 0.13 -0.04 1.87 1.99 2nxhH1 LYS 4071 HB3 -0.02 0.07 0.19 -0.04 1.79 1.99 2nxhH1 LYS 4071 HG2 -0.00 -0.06 -0.15 -0.04 1.46 1.21 2nxhH1 LYS 4071 HG3 0.02 0.18 0.03 -0.04 1.46 1.65 2nxhH1 LYS 4071 HD2 0.02 0.02 0.07 -0.04 1.69 1.76 2nxhH1 LYS 4071 HD3 0.01 -0.03 0.04 -0.04 1.68 1.65 2nxhH1 LYS 4071 HE2 0.02 -0.04 -0.02 -0.04 2.99 2.90 2nxhH1 LYS 4071 HE3 0.03 -0.03 -0.00 -0.04 2.99 2.95 2nxhH1 GLU 4072 H -0.06 0.53 -0.06 -0.55 8.60 8.47 2nxhH1 GLU 4072 HA -0.04 0.09 0.56 -0.75 4.29 4.14 2nxhH1 GLU 4072 HB2 -0.08 -0.02 0.14 -0.04 2.09 2.09 2nxhH1 GLU 4072 HB3 -0.06 -0.06 0.06 -0.04 1.99 1.89 2nxhH1 GLU 4072 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 2nxhH1 GLU 4072 HG3 -0.04 0.35 0.16 -0.04 2.34 2.78 2nxhH1 GLU 4073 H -0.17 0.71 -0.01 -0.55 8.60 8.59 2nxhH1 GLU 4073 HA -0.26 0.07 0.54 -0.75 4.29 3.89 2nxhH1 GLU 4073 HB2 -0.30 -0.06 0.12 -0.04 2.09 1.80 2nxhH1 GLU 4073 HB3 -0.62 0.04 0.08 -0.04 1.99 1.45 2nxhH1 GLU 4073 HG2 -1.22 0.02 -0.06 -0.04 2.34 1.03 2nxhH1 GLU 4073 HG3 -0.41 -0.02 0.09 -0.04 2.34 1.96 2nxhH1 PHE 4074 H -0.07 0.38 -0.18 -0.55 8.34 7.92 2nxhH1 PHE 4074 HA -0.05 0.20 0.99 -0.75 4.62 5.01 2nxhH1 PHE 4074 HB2 -0.11 0.11 0.05 -0.04 3.15 3.16 2nxhH1 PHE 4074 HB3 -0.07 -0.03 0.08 -0.04 3.06 3.01 2nxhH1 PHE 4074 HD2 -0.12 0.04 0.01 -0.04 7.28 7.17 2nxhH1 PHE 4074 HE2 -0.08 -0.08 0.01 -0.04 7.38 7.19 2nxhH1 PHE 4074 HZ -0.05 -0.03 -0.01 -0.04 7.32 7.19 2nxhH1 GLY 4075 H 0.01 0.26 -0.12 -0.55 8.43 8.03 2nxhH1 GLY 4075 HA2 0.02 0.14 0.38 -0.51 4.01 4.04 2nxhH1 GLY 4075 HA3 0.04 -0.01 0.41 -0.51 4.01 3.94 2nxhH1 LEU 4076 H 0.06 0.07 -0.11 -0.55 8.37 7.84 2nxhH1 LEU 4076 HA 0.08 0.20 0.86 -0.75 4.35 4.73 2nxhH1 LEU 4076 HB2 0.04 -0.08 -0.06 -0.04 1.64 1.50 2nxhH1 LEU 4076 HB3 0.12 0.03 -0.02 -0.04 1.64 1.73 2nxhH1 LEU 4076 HG 0.07 0.11 -0.25 -0.04 1.64 1.53 2nxhH1 LEU 4076 HD13 -0.03 -0.03 -0.08 -0.04 0.93 0.75 2nxhH1 LEU 4076 HD23 0.05 0.02 -0.11 -0.04 0.89 0.81 2nxhH1 LYS 4077 H 0.09 0.23 0.23 -0.55 8.42 8.42 2nxhH1 LYS 4077 HA 0.06 0.11 0.53 -0.75 4.32 4.26 2nxhH1 LYS 4077 HB2 0.08 0.12 0.19 -0.04 1.87 2.21 2nxhH1 LYS 4077 HB3 0.06 -0.06 0.06 -0.04 1.79 1.81 2nxhH1 LYS 4077 HG2 0.05 0.01 0.07 -0.04 1.46 1.55 2nxhH1 LYS 4077 HG3 0.06 0.05 0.08 -0.04 1.46 1.62 2nxhH1 LYS 4077 HD2 0.06 0.04 -0.02 -0.04 1.69 1.72 2nxhH1 LYS 4077 HD3 0.05 -0.05 -0.03 -0.04 1.68 1.61 2nxhH1 LYS 4077 HE2 0.05 -0.00 0.01 -0.04 2.99 3.00 2nxhH1 LYS 4077 HE3 0.05 0.03 0.01 -0.04 2.99 3.03 2nxhH1 ILE 4078 H 0.06 0.15 0.29 -0.55 8.25 8.21 2nxhH1 ILE 4078 HA 0.15 0.33 1.11 -0.75 4.18 5.02 2nxhH1 ILE 4078 HB 0.07 0.18 0.10 -0.04 1.89 2.19 2nxhH1 ILE 4078 HG12 0.06 0.11 -0.26 -0.04 1.49 1.36 2nxhH1 ILE 4078 HG13 0.04 0.02 -0.09 -0.04 1.21 1.15 2nxhH1 ILE 4078 HG23 0.12 -0.04 -0.19 -0.04 0.93 0.79 2nxhH1 ILE 4078 HD13 0.11 -0.01 -0.08 -0.04 0.88 0.86 2nxhH1 THR 4079 H 0.11 0.69 0.32 -0.55 8.28 8.85 2nxhH1 THR 4079 HA 0.05 0.29 0.82 -0.75 4.39 4.80 2nxhH1 THR 4079 HB 0.01 0.00 -0.23 -0.04 4.32 4.07 2nxhH1 THR 4079 HG23 -0.00 -0.01 -0.34 -0.04 1.22 0.82 2nxhH1 THR 4080 H 0.06 0.52 0.32 -0.55 8.28 8.62 2nxhH1 THR 4080 HA 0.07 0.03 0.51 -0.75 4.39 4.24 2nxhH1 THR 4080 HB 0.15 0.12 -0.12 -0.04 4.32 4.43 2nxhH1 THR 4080 HG23 0.19 0.01 -0.16 -0.04 1.22 1.21 2nxhH1 ASP 4081 H -0.03 0.06 0.15 -0.55 8.40 8.03 2nxhH1 ASP 4081 HA -0.09 0.32 1.11 -0.75 4.63 5.21 2nxhH1 ASP 4081 HB2 -0.27 0.13 -0.00 -0.04 2.71 2.52 2nxhH1 ASP 4081 HB3 -0.11 -0.05 -0.12 -0.04 2.70 2.39 2nxhH1 ILE 4082 H -0.24 0.56 0.31 -0.55 8.25 8.34 2nxhH1 ILE 4082 HA -0.19 0.11 0.89 -0.75 4.18 4.23 2nxhH1 ILE 4082 HB -0.16 -0.12 0.02 -0.04 1.89 1.59 2nxhH1 ILE 4082 HG12 -0.11 0.15 0.03 -0.04 1.49 1.52 2nxhH1 ILE 4082 HG13 -0.14 -0.05 -0.21 -0.04 1.21 0.77 2nxhH1 ILE 4082 HG23 -0.01 0.02 -0.24 -0.04 0.93 0.66 2nxhH1 ILE 4082 HD13 -0.07 0.02 -0.10 -0.04 0.88 0.69 2nxhH1 HIS 4083 H -0.10 0.02 0.18 -0.55 8.41 7.97 2nxhH1 HIS 4083 HA -0.04 0.25 0.97 -0.75 4.63 5.05 2nxhH1 HIS 4083 HB2 -0.03 -0.00 -0.01 -0.04 3.26 3.18 2nxhH1 HIS 4083 HB3 -0.02 0.04 0.07 -0.04 3.20 3.25 2nxhH1 HIS 4083 HD2 -0.07 -0.01 -0.10 -0.04 6.97 6.74 2nxhH1 HIS 4083 HE1 -0.72 -0.01 -0.00 -0.04 7.75 6.97 2nxhH1 GLU 4084 H -0.15 0.10 0.19 -0.55 8.60 8.19 2nxhH1 GLU 4084 HA 0.03 0.19 0.66 -0.75 4.29 4.41 2nxhH1 GLU 4084 HB2 -0.02 -0.04 -0.00 -0.04 2.09 1.99 2nxhH1 GLU 4084 HB3 0.20 -0.04 0.04 -0.04 1.99 2.15 2nxhH1 GLU 4084 HG2 0.12 0.05 0.14 -0.04 2.34 2.61 2nxhH1 GLU 4084 HG3 0.13 0.07 -0.30 -0.04 2.34 2.19 2nxhH1 SER 4085 H 0.05 0.20 0.08 -0.55 8.46 8.24 2nxhH1 SER 4085 HA -0.02 0.12 0.33 -0.75 4.49 4.17 2nxhH1 SER 4085 HB2 0.12 -0.04 0.10 -0.04 3.95 4.09 2nxhH1 SER 4085 HB3 0.08 0.11 -0.02 -0.04 3.93 4.06 2nxhH1 TRP 4086 H 0.28 0.07 -0.17 -0.55 7.97 7.59 2nxhH1 TRP 4086 HA 0.03 0.14 0.34 -0.75 4.62 4.36 2nxhH1 TRP 4086 HB2 0.02 0.06 0.10 -0.04 3.23 3.37 2nxhH1 TRP 4086 HB3 0.03 0.00 0.08 -0.04 3.23 3.30 2nxhH1 TRP 4086 HD1 0.04 -0.03 -0.03 -0.04 7.22 7.15 2nxhH1 TRP 4086 HE1 0.06 0.02 -0.04 -0.04 10.20 10.19 2nxhH1 TRP 4086 HE3 0.02 0.05 -0.17 -0.04 7.59 7.44 2nxhH1 TRP 4086 HZ2 0.08 -0.00 -0.03 -0.04 7.44 7.44 2nxhH1 TRP 4086 HZ3 -0.01 0.01 -0.04 -0.04 7.13 7.06 2nxhH1 TRP 4086 HH2 0.03 -0.07 -0.01 -0.04 7.19 7.10 2nxhH1 GLN 4087 H -0.64 0.41 -0.40 -0.55 8.47 7.29 2nxhH1 GLN 4087 HA -0.62 0.12 0.56 -0.75 4.36 3.66 2nxhH1 GLN 4087 HB2 -0.39 0.03 0.11 -0.04 2.15 1.87 2nxhH1 GLN 4087 HB3 -0.37 0.00 0.08 -0.04 2.02 1.69 2nxhH1 GLN 4087 HG2 -2.27 0.03 -0.02 -0.04 2.40 0.10 2nxhH1 GLN 4087 HG3 -1.73 -0.01 0.03 -0.04 2.39 0.63 2nxhH1 GLN 4087 HE21 0.26 0.02 -0.01 -0.04 6.97 7.20 2nxhH1 GLN 4087 HE22 -0.10 0.04 -0.01 -0.04 7.69 7.58 2nxhH1 ALA 4088 H -0.13 0.36 -0.11 -0.55 8.40 7.98 2nxhH1 ALA 4088 HA -0.06 -0.01 0.29 -0.75 4.34 3.81 2nxhH1 ALA 4088 HB3 -0.02 0.04 -0.07 -0.04 1.41 1.32 2nxhH1 GLU 4089 H 0.01 0.13 -0.16 -0.55 8.60 8.04 2nxhH1 GLU 4089 HA 0.01 0.12 0.35 -0.75 4.29 4.02 2nxhH1 GLU 4089 HB2 0.05 -0.00 0.09 -0.04 2.09 2.18 2nxhH1 GLU 4089 HB3 0.07 0.03 0.10 -0.04 1.99 2.15 2nxhH1 GLU 4089 HG2 0.03 -0.01 -0.18 -0.04 2.34 2.14 2nxhH1 GLU 4089 HG3 0.03 0.06 0.00 -0.04 2.34 2.39 2nxhH1 PRO 4090 HA 0.01 0.08 0.42 -0.51 4.44 4.45 2nxhH1 PRO 4090 HB2 -0.01 -0.05 -0.02 -0.04 2.28 2.16 2nxhH1 PRO 4090 HB3 0.07 -0.00 0.09 -0.04 2.02 2.14 2nxhH1 PRO 4090 HG2 -0.08 0.15 0.12 -0.04 2.03 2.18 2nxhH1 PRO 4090 HG3 0.20 -0.02 0.09 -0.04 2.03 2.26 2nxhH1 PRO 4090 HD2 0.03 -0.01 -0.21 -0.04 3.68 3.45 2nxhH1 PRO 4090 HD3 0.11 0.08 0.11 -0.04 3.65 3.92 2nxhH1 VAL 4091 H -0.06 0.53 -0.31 -0.55 8.24 7.85 2nxhH1 VAL 4091 HA -0.06 -0.02 0.49 -0.75 4.13 3.78 2nxhH1 VAL 4091 HB -0.04 0.17 0.07 -0.04 2.12 2.28 2nxhH1 VAL 4091 HG13 0.04 -0.01 -0.21 -0.04 0.97 0.75 2nxhH1 VAL 4091 HG23 -0.11 -0.04 -0.03 -0.04 0.95 0.74 2nxhH1 ALA 4092 H -0.01 0.68 0.02 -0.55 8.40 8.54 2nxhH1 ALA 4092 HA 0.01 0.05 0.38 -0.75 4.34 4.03 2nxhH1 ALA 4092 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 2nxhH1 GLU 4093 H -0.00 0.22 -0.65 -0.55 8.60 7.62 2nxhH1 GLU 4093 HA 0.01 0.06 0.34 -0.75 4.29 3.95 2nxhH1 GLU 4093 HB2 -0.00 0.06 0.03 -0.04 2.09 2.14 2nxhH1 GLU 4093 HB3 0.00 -0.07 0.06 -0.04 1.99 1.94 2nxhH1 GLU 4093 HG2 0.01 0.15 0.05 -0.04 2.34 2.50 2nxhH1 GLU 4093 HG3 0.00 -0.09 0.06 -0.04 2.34 2.27 2nxhH1 VAL 4094 H 0.01 0.29 -0.31 -0.55 8.24 7.68 2nxhH1 VAL 4094 HA 0.01 0.22 0.92 -0.75 4.13 4.53 2nxhH1 VAL 4094 HB 0.01 -0.04 0.02 -0.04 2.12 2.07 2nxhH1 VAL 4094 HG13 0.02 -0.03 -0.20 -0.04 0.97 0.71 2nxhH1 VAL 4094 HG23 -0.01 0.01 -0.18 -0.04 0.95 0.74 2nxhH1 ALA 4095 H 0.02 0.40 0.12 -0.55 8.40 8.39 2nxhH1 ALA 4095 HA 0.05 -0.02 0.42 -0.75 4.34 4.04 2nxhH1 ALA 4095 HB3 0.05 0.00 -0.11 -0.04 1.41 1.30 2nxhH1 ASP 4096 H 0.05 0.50 0.41 -0.55 8.40 8.81 2nxhH1 ASP 4096 HA 0.04 0.14 0.60 -0.75 4.63 4.66 2nxhH1 ASP 4096 HB2 0.05 0.01 0.21 -0.04 2.71 2.94 2nxhH1 ASP 4096 HB3 0.05 -0.02 0.07 -0.04 2.70 2.76 2nxhH1 ILE 4097 H 0.04 0.39 0.20 -0.55 8.25 8.34 2nxhH1 ILE 4097 HA 0.07 0.31 0.83 -0.75 4.18 4.63 2nxhH1 ILE 4097 HB 0.01 -0.10 -0.05 -0.04 1.89 1.71 2nxhH1 ILE 4097 HG12 0.10 0.11 -0.25 -0.04 1.49 1.41 2nxhH1 ILE 4097 HG13 0.03 -0.05 -0.35 -0.04 1.21 0.80 2nxhH1 ILE 4097 HG23 0.04 -0.02 -0.45 -0.04 0.93 0.45 2nxhH1 ILE 4097 HD13 -0.15 -0.01 -0.24 -0.04 0.88 0.45 2nxhH1 ILE 4098 H 0.04 0.85 0.17 -0.55 8.25 8.76 2nxhH1 ILE 4098 HA 0.02 0.10 0.80 -0.75 4.18 4.35 2nxhH1 ILE 4098 HB 0.01 0.08 0.09 -0.04 1.89 2.04 2nxhH1 ILE 4098 HG12 0.02 -0.05 -0.14 -0.04 1.49 1.27 2nxhH1 ILE 4098 HG13 0.02 0.10 -0.18 -0.04 1.21 1.11 2nxhH1 ILE 4098 HG23 -0.02 -0.04 -0.16 -0.04 0.93 0.67 2nxhH1 ILE 4098 HD13 0.00 0.02 -0.01 -0.04 0.88 0.85 2nxhH1 GLN 4099 H -0.01 0.65 0.30 -0.55 8.47 8.87 2nxhH1 GLN 4099 HA -0.02 0.28 0.82 -0.75 4.36 4.68 2nxhH1 GLN 4099 HB2 0.01 0.02 -0.24 -0.04 2.15 1.90 2nxhH1 GLN 4099 HB3 -0.04 -0.14 -0.34 -0.04 2.02 1.46 2nxhH1 GLN 4099 HG2 -0.11 -0.07 -0.45 -0.04 2.40 1.73 2nxhH1 GLN 4099 HG3 -0.08 0.10 -0.17 -0.04 2.39 2.20 2nxhH1 GLN 4099 HE21 -0.03 -0.01 -0.18 -0.04 6.97 6.71 2nxhH1 GLN 4099 HE22 -0.14 -0.06 -0.21 -0.04 7.69 7.24 2nxhH1 ILE 4100 H -0.06 0.76 0.34 -0.55 8.25 8.74 2nxhH1 ILE 4100 HA -0.09 0.18 0.86 -0.75 4.18 4.37 2nxhH1 ILE 4100 HB -0.04 -0.09 0.15 -0.04 1.89 1.86 2nxhH1 ILE 4100 HG12 -0.02 0.07 -0.24 -0.04 1.49 1.26 2nxhH1 ILE 4100 HG13 -0.01 0.01 -0.15 -0.04 1.21 1.01 2nxhH1 ILE 4100 HG23 -0.03 0.02 -0.25 -0.04 0.93 0.63 2nxhH1 ILE 4100 HD13 -0.04 0.01 -0.24 -0.04 0.88 0.57 2nxhH1 PRO 4101 HA -0.17 0.02 0.38 -0.51 4.44 4.16 2nxhH1 PRO 4101 HB2 -0.01 -0.09 0.02 -0.04 2.28 2.16 2nxhH1 PRO 4101 HB3 -0.07 -0.01 0.06 -0.04 2.02 1.96 2nxhH1 PRO 4101 HG2 -0.10 0.08 0.07 -0.04 2.03 2.03 2nxhH1 PRO 4101 HG3 -0.18 -0.02 -0.00 -0.04 2.03 1.79 2nxhH1 PRO 4101 HD2 -0.09 0.07 0.20 -0.04 3.68 3.82 2nxhH1 PRO 4101 HD3 -0.18 0.31 0.33 -0.04 3.65 4.07 2nxhH1 ALA 4102 H -0.28 0.13 0.12 -0.55 8.40 7.82 2nxhH1 ALA 4102 HA -0.18 0.49 0.25 -0.75 4.34 4.15 2nxhH1 ALA 4102 HB3 -0.35 -0.01 -0.05 -0.04 1.41 0.95 2nxhH1 PHE 4103 H -0.21 0.09 -0.14 -0.55 8.34 7.52 2nxhH1 PHE 4103 HA 0.29 0.07 0.48 -0.75 4.62 4.70 2nxhH1 PHE 4103 HB2 0.06 -0.00 -0.02 -0.04 3.15 3.14 2nxhH1 PHE 4103 HB3 0.09 0.05 0.06 -0.04 3.06 3.22 2nxhH1 PHE 4103 HD2 0.11 -0.01 -0.02 -0.04 7.28 7.31 2nxhH1 PHE 4103 HE2 0.05 0.06 -0.01 -0.04 7.38 7.44 2nxhH1 PHE 4103 HZ 0.04 0.03 -0.02 -0.04 7.32 7.33 2nxhH1 LEU 4104 H 0.10 0.27 -0.55 -0.55 8.37 7.64 2nxhH1 LEU 4104 HA 0.13 0.16 0.84 -0.75 4.35 4.73 2nxhH1 LEU 4104 HB2 0.03 0.12 0.02 -0.04 1.64 1.76 2nxhH1 LEU 4104 HB3 0.05 -0.06 0.15 -0.04 1.64 1.75 2nxhH1 LEU 4104 HG 0.13 -0.14 -0.11 -0.04 1.64 1.48 2nxhH1 LEU 4104 HD13 0.07 0.03 0.07 -0.04 0.93 1.06 2nxhH1 LEU 4104 HD23 0.11 0.03 -0.13 -0.04 0.89 0.86 2nxhH1 CYS 4105 H 0.11 0.34 -0.28 -0.55 8.50 8.12 2nxhH1 CYS 4105 HA 0.01 0.08 0.27 -0.75 4.58 4.19 2nxhH1 CYS 4105 HB2 -0.03 -0.03 0.05 -0.04 2.97 2.93 2nxhH1 CYS 4105 HB3 -0.06 0.26 0.09 -0.04 2.97 3.23 2nxhH1 ARG 4106 H 0.14 0.06 -0.54 -0.55 8.46 7.57 2nxhH1 ARG 4106 HA 0.05 0.24 0.79 -0.75 4.34 4.67 2nxhH1 ARG 4106 HB2 0.12 0.01 -0.02 -0.04 1.90 1.97 2nxhH1 ARG 4106 HB3 0.04 -0.01 0.05 -0.04 1.80 1.83 2nxhH1 ARG 4106 HG2 0.17 0.01 -0.19 -0.04 1.67 1.61 2nxhH1 ARG 4106 HG3 0.21 -0.01 -0.06 -0.04 1.67 1.78 2nxhH1 ARG 4106 HD2 0.03 -0.02 0.04 -0.04 3.22 3.22 2nxhH1 ARG 4106 HD3 0.05 0.05 -0.01 -0.04 3.22 3.26 2nxhH1 GLN 4107 H 0.05 0.46 -0.21 -0.55 8.47 8.23 2nxhH1 GLN 4107 HA 0.02 0.07 0.60 -0.75 4.36 4.30 2nxhH1 GLN 4107 HB2 0.03 0.10 0.22 -0.04 2.15 2.46 2nxhH1 GLN 4107 HB3 0.03 -0.12 0.08 -0.04 2.02 1.97 2nxhH1 GLN 4107 HG2 0.06 -0.01 0.11 -0.04 2.40 2.52 2nxhH1 GLN 4107 HG3 0.05 0.02 0.07 -0.04 2.39 2.48 2nxhH1 GLN 4107 HE21 -0.00 0.05 -0.07 -0.04 6.97 6.90 2nxhH1 GLN 4107 HE22 0.04 -0.04 -0.09 -0.04 7.69 7.56 2nxhH1 THR 4108 H 0.01 0.32 0.23 -0.55 8.28 8.30 2nxhH1 THR 4108 HA 0.02 0.12 0.29 -0.75 4.39 4.06 2nxhH1 THR 4108 HB 0.01 -0.08 0.14 -0.04 4.32 4.35 2nxhH1 THR 4108 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 2nxhH1 ASP 4109 H 0.02 0.11 -0.10 -0.55 8.40 7.88 2nxhH1 ASP 4109 HA 0.04 0.12 0.34 -0.75 4.63 4.38 2nxhH1 ASP 4109 HB2 0.04 -0.04 0.05 -0.04 2.71 2.72 2nxhH1 ASP 4109 HB3 0.04 -0.01 0.00 -0.04 2.70 2.70 2nxhH1 LEU 4110 H 0.02 0.22 -0.32 -0.55 8.37 7.75 2nxhH1 LEU 4110 HA 0.00 -0.03 0.39 -0.75 4.35 3.95 2nxhH1 LEU 4110 HB2 0.01 -0.10 0.01 -0.04 1.64 1.52 2nxhH1 LEU 4110 HB3 0.01 0.22 0.04 -0.04 1.64 1.87 2nxhH1 LEU 4110 HG -0.04 0.05 -0.24 -0.04 1.64 1.38 2nxhH1 LEU 4110 HD13 -0.05 -0.05 -0.43 -0.04 0.93 0.36 2nxhH1 LEU 4110 HD23 -0.03 0.07 -0.10 -0.04 0.89 0.80 2nxhH1 LEU 4111 H 0.02 0.44 -0.13 -0.55 8.37 8.15 2nxhH1 LEU 4111 HA 0.01 0.04 0.36 -0.75 4.35 4.01 2nxhH1 LEU 4111 HB2 0.02 0.09 0.09 -0.04 1.64 1.80 2nxhH1 LEU 4111 HB3 0.02 0.01 -0.09 -0.04 1.64 1.54 2nxhH1 LEU 4111 HG 0.01 0.03 -0.12 -0.04 1.64 1.52 2nxhH1 LEU 4111 HD13 0.01 0.06 -0.13 -0.04 0.93 0.83 2nxhH1 LEU 4111 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.76 2nxhH1 LEU 4112 H 0.03 0.62 -0.02 -0.55 8.37 8.45 2nxhH1 LEU 4112 HA 0.05 0.10 0.36 -0.75 4.35 4.11 2nxhH1 LEU 4112 HB2 0.05 -0.04 0.06 -0.04 1.64 1.67 2nxhH1 LEU 4112 HB3 0.06 0.03 0.01 -0.04 1.64 1.70 2nxhH1 LEU 4112 HG 0.06 0.06 0.01 -0.04 1.64 1.73 2nxhH1 LEU 4112 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.86 2nxhH1 LEU 4112 HD23 0.16 0.02 -0.04 -0.04 0.89 0.98 2nxhH1 ALA 4113 H 0.02 0.36 -0.37 -0.55 8.40 7.87 2nxhH1 ALA 4113 HA 0.02 0.04 0.41 -0.75 4.34 4.06 2nxhH1 ALA 4113 HB3 0.01 0.02 0.15 -0.04 1.41 1.55 2nxhH1 ALA 4114 H 0.00 0.40 -0.23 -0.55 8.40 8.02 2nxhH1 ALA 4114 HA -0.00 -0.02 0.44 -0.75 4.34 4.01 2nxhH1 ALA 4114 HB3 -0.00 0.01 0.02 -0.04 1.41 1.39 2nxhH1 ALA 4115 H 0.01 0.56 -0.09 -0.55 8.40 8.34 2nxhH1 ALA 4115 HA 0.01 0.05 0.33 -0.75 4.34 3.98 2nxhH1 ALA 4115 HB3 0.02 -0.02 -0.03 -0.04 1.41 1.34 2nxhH1 LYS 4116 H 0.01 0.36 -0.34 -0.55 8.42 7.89 2nxhH1 LYS 4116 HA -0.00 0.15 0.37 -0.75 4.32 4.08 2nxhH1 LYS 4116 HB2 0.01 0.04 0.14 -0.04 1.87 2.02 2nxhH1 LYS 4116 HB3 0.01 0.06 0.09 -0.04 1.79 1.91 2nxhH1 LYS 4116 HG2 0.01 0.02 0.05 -0.04 1.46 1.49 2nxhH1 LYS 4116 HG3 0.00 -0.02 0.06 -0.04 1.46 1.46 2nxhH1 LYS 4116 HD2 0.02 -0.01 -0.06 -0.04 1.69 1.60 2nxhH1 LYS 4116 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.58 2nxhH1 LYS 4116 HE2 0.03 0.04 -0.02 -0.04 2.99 3.00 2nxhH1 LYS 4116 HE3 0.03 -0.10 -0.02 -0.04 2.99 2.86 2nxhH1 THR 4117 H 0.01 0.34 -0.53 -0.55 8.28 7.55 2nxhH1 THR 4117 HA 0.01 0.03 0.44 -0.75 4.39 4.11 2nxhH1 THR 4117 HB 0.01 -0.03 0.10 -0.04 4.32 4.36 2nxhH1 THR 4117 HG23 0.01 0.03 -0.05 -0.04 1.22 1.16 2nxhH1 GLY 4118 H 0.01 0.47 -0.33 -0.55 8.43 8.02 2nxhH1 GLY 4118 HA2 0.00 0.05 0.30 -0.51 4.01 3.86 2nxhH1 GLY 4118 HA3 0.01 0.06 0.57 -0.51 4.01 4.14 2nxhH1 ARG 4119 H 0.01 -0.01 -0.49 -0.55 8.46 7.43 2nxhH1 ARG 4119 HA 0.03 0.11 0.61 -0.75 4.34 4.34 2nxhH1 ARG 4119 HB2 0.02 -0.09 -0.06 -0.04 1.90 1.73 2nxhH1 ARG 4119 HB3 0.03 0.09 -0.02 -0.04 1.80 1.87 2nxhH1 ARG 4119 HG2 0.02 -0.01 -0.10 -0.04 1.67 1.54 2nxhH1 ARG 4119 HG3 0.02 -0.02 0.02 -0.04 1.67 1.66 2nxhH1 ARG 4119 HD2 0.03 -0.01 0.12 -0.04 3.22 3.32 2nxhH1 ARG 4119 HD3 0.02 -0.06 -0.09 -0.04 3.22 3.05 2nxhH1 ALA 4120 H 0.06 0.38 0.30 -0.55 8.40 8.59 2nxhH1 ALA 4120 HA 0.05 0.08 0.63 -0.75 4.34 4.34 2nxhH1 ALA 4120 HB3 0.16 -0.01 0.11 -0.04 1.41 1.64 2nxhH1 VAL 4121 H 0.07 0.62 0.36 -0.55 8.24 8.75 2nxhH1 VAL 4121 HA 0.06 0.23 0.99 -0.75 4.13 4.65 2nxhH1 VAL 4121 HB 0.03 -0.04 0.05 -0.04 2.12 2.11 2nxhH1 VAL 4121 HG13 0.02 -0.02 -0.18 -0.04 0.97 0.75 2nxhH1 VAL 4121 HG23 0.02 0.03 -0.33 -0.04 0.95 0.64 2nxhH1 ASN 4122 H 0.05 0.69 0.18 -0.55 8.53 8.90 2nxhH1 ASN 4122 HA 0.16 0.19 0.82 -0.75 4.76 5.17 2nxhH1 ASN 4122 HB2 0.03 0.05 -0.25 -0.04 2.88 2.67 2nxhH1 ASN 4122 HB3 0.00 -0.05 -0.10 -0.04 2.79 2.60 2nxhH1 ASN 4122 HD21 -0.07 -0.05 -0.32 -0.04 7.03 6.55 2nxhH1 ASN 4122 HD22 -0.03 0.00 -0.28 -0.04 7.74 7.39 2nxhH1 VAL 4123 H 0.03 0.77 0.20 -0.55 8.24 8.70 2nxhH1 VAL 4123 HA -0.05 0.10 1.04 -0.75 4.13 4.47 2nxhH1 VAL 4123 HB -0.01 0.02 0.12 -0.04 2.12 2.21 2nxhH1 VAL 4123 HG13 -0.04 0.01 -0.19 -0.04 0.97 0.71 2nxhH1 VAL 4123 HG23 0.00 0.01 -0.16 -0.04 0.95 0.77 2nxhH1 LYS 4124 H -0.12 0.67 0.16 -0.55 8.42 8.56 2nxhH1 LYS 4124 HA -0.20 0.03 0.51 -0.75 4.32 3.91 2nxhH1 LYS 4124 HB2 -0.21 -0.05 0.04 -0.04 1.87 1.60 2nxhH1 LYS 4124 HB3 -0.29 0.02 -0.06 -0.04 1.79 1.42 2nxhH1 LYS 4124 HG2 -0.24 0.09 -0.12 -0.04 1.46 1.16 2nxhH1 LYS 4124 HG3 -0.35 -0.14 -0.07 -0.04 1.46 0.86 2nxhH1 LYS 4124 HD2 -0.42 0.05 -0.12 -0.04 1.69 1.15 2nxhH1 LYS 4124 HD3 -0.35 0.01 -0.21 -0.04 1.68 1.09 2nxhH1 LYS 4124 HE2 -1.19 -0.01 -0.18 -0.04 2.99 1.57 2nxhH1 LYS 4124 HE3 -0.60 0.01 -0.19 -0.04 2.99 2.17 2nxhH1 LYS 4125 H -0.16 0.66 0.31 -0.55 8.42 8.69 2nxhH1 LYS 4125 HA -0.15 -0.01 0.42 -0.75 4.32 3.82 2nxhH1 LYS 4125 HB2 -0.10 -0.00 0.04 -0.04 1.87 1.77 2nxhH1 LYS 4125 HB3 -0.15 -0.06 0.19 -0.04 1.79 1.72 2nxhH1 LYS 4125 HG2 -0.21 0.20 -0.23 -0.04 1.46 1.17 2nxhH1 LYS 4125 HG3 -0.18 -0.09 -0.07 -0.04 1.46 1.07 2nxhH1 LYS 4125 HD2 -0.17 0.05 -0.30 -0.04 1.69 1.24 2nxhH1 LYS 4125 HD3 -0.09 -0.01 -0.10 -0.04 1.68 1.44 2nxhH1 LYS 4125 HE2 -0.11 -0.04 -0.05 -0.04 2.99 2.75 2nxhH1 LYS 4125 HE3 -0.10 -0.02 -0.06 -0.04 2.99 2.77 2nxhH1 GLY 4126 H -0.32 0.08 0.21 -0.55 8.43 7.85 2nxhH1 GLY 4126 HA2 -0.42 0.01 0.38 -0.51 4.01 3.47 2nxhH1 GLY 4126 HA3 -1.16 -0.01 0.39 -0.51 4.01 2.72 2nxhH1 GLN 4127 H -0.24 0.09 0.13 -0.55 8.47 7.91 2nxhH1 GLN 4127 HA -0.15 0.39 0.58 -0.75 4.36 4.43 2nxhH1 GLN 4127 HB2 0.14 -0.05 0.06 -0.04 2.15 2.25 2nxhH1 GLN 4127 HB3 0.04 -0.06 0.10 -0.04 2.02 2.06 2nxhH1 GLN 4127 HG2 0.01 0.04 -0.07 -0.04 2.40 2.34 2nxhH1 GLN 4127 HG3 -0.10 0.24 -0.05 -0.04 2.39 2.44 2nxhH1 GLN 4127 HE21 -0.54 -0.11 -0.04 -0.04 6.97 6.24 2nxhH1 GLN 4127 HE22 -0.09 0.10 -0.05 -0.04 7.69 7.61 2nxhH1 PHE 4128 H -0.91 -0.04 -0.50 -0.55 8.34 6.34 2nxhH1 PHE 4128 HA -0.00 0.19 0.73 -0.75 4.62 4.79 2nxhH1 PHE 4128 HB2 -0.00 0.02 0.09 -0.04 3.15 3.22 2nxhH1 PHE 4128 HB3 0.02 0.00 0.00 -0.04 3.06 3.05 2nxhH1 PHE 4128 HD2 0.04 0.00 -0.19 -0.04 7.28 7.09 2nxhH1 PHE 4128 HE2 0.09 -0.00 0.00 -0.04 7.38 7.42 2nxhH1 PHE 4128 HZ 0.04 -0.02 -0.00 -0.04 7.32 7.30 2nxhH1 LEU 4129 H -0.44 0.41 -0.31 -0.55 8.37 7.49 2nxhH1 LEU 4129 HA -0.01 0.10 0.78 -0.75 4.35 4.46 2nxhH1 LEU 4129 HB2 -0.44 -0.15 0.02 -0.04 1.64 1.03 2nxhH1 LEU 4129 HB3 -0.25 0.08 -0.03 -0.04 1.64 1.40 2nxhH1 LEU 4129 HG -0.11 0.12 -0.11 -0.04 1.64 1.49 2nxhH1 LEU 4129 HD13 0.10 -0.00 -0.04 -0.04 0.93 0.94 2nxhH1 LEU 4129 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.63 2nxhH1 ALA 4130 H -0.19 0.10 0.17 -0.55 8.40 7.92 2nxhH1 ALA 4130 HA -0.50 0.19 0.56 -0.75 4.34 3.84 2nxhH1 ALA 4130 HB3 -0.96 0.01 0.10 -0.04 1.41 0.52 2nxhH1 PRO 4131 HA -0.13 0.11 0.37 -0.51 4.44 4.29 2nxhH1 PRO 4131 HB2 -0.01 0.05 0.01 -0.04 2.28 2.29 2nxhH1 PRO 4131 HB3 -0.04 0.07 0.12 -0.04 2.02 2.12 2nxhH1 PRO 4131 HG2 -0.19 0.04 0.05 -0.04 2.03 1.89 2nxhH1 PRO 4131 HG3 -0.21 0.07 0.11 -0.04 2.03 1.95 2nxhH1 PRO 4131 HD2 -1.46 0.07 0.18 -0.04 3.68 2.43 2nxhH1 PRO 4131 HD3 -0.58 0.19 0.26 -0.04 3.65 3.48 2nxhH1 TRP 4132 H -0.80 0.12 -0.21 -0.55 7.97 6.54 2nxhH1 TRP 4132 HA 0.47 0.20 0.48 -0.75 4.62 5.01 2nxhH1 TRP 4132 HB2 0.13 0.04 0.06 -0.04 3.23 3.41 2nxhH1 TRP 4132 HB3 0.21 0.07 0.05 -0.04 3.23 3.52 2nxhH1 TRP 4132 HD1 0.03 0.02 -0.19 -0.04 7.22 7.04 2nxhH1 TRP 4132 HE1 0.03 0.02 -0.02 -0.04 10.20 10.20 2nxhH1 TRP 4132 HE3 0.08 0.04 -0.01 -0.04 7.59 7.66 2nxhH1 TRP 4132 HZ2 0.03 0.02 0.01 -0.04 7.44 7.46 2nxhH1 TRP 4132 HZ3 0.03 0.03 -0.01 -0.04 7.13 7.15 2nxhH1 TRP 4132 HH2 0.03 0.02 0.01 -0.04 7.19 7.21 2nxhH1 ASP 4133 H -0.24 0.38 -0.48 -0.55 8.40 7.51 2nxhH1 ASP 4133 HA 0.05 0.11 0.54 -0.75 4.63 4.57 2nxhH1 ASP 4133 HB2 -0.11 0.19 0.08 -0.04 2.71 2.83 2nxhH1 ASP 4133 HB3 -0.01 -0.01 0.09 -0.04 2.70 2.73 2nxhH1 THR 4134 H 0.03 0.39 -0.41 -0.55 8.28 7.74 2nxhH1 THR 4134 HA -0.04 0.03 0.39 -0.75 4.39 4.01 2nxhH1 THR 4134 HB 0.11 -0.02 0.03 -0.04 4.32 4.40 2nxhH1 THR 4134 HG23 -0.00 -0.01 -0.02 -0.04 1.22 1.16 2nxhH1 LYS 4135 H -0.41 0.29 -0.44 -0.55 8.42 7.30 2nxhH1 LYS 4135 HA -1.55 0.12 0.36 -0.75 4.32 2.49 2nxhH1 LYS 4135 HB2 -2.29 0.07 0.09 -0.04 1.87 -0.31 2nxhH1 LYS 4135 HB3 -0.66 -0.00 0.08 -0.04 1.79 1.16 2nxhH1 LYS 4135 HG2 -0.52 -0.05 -0.20 -0.04 1.46 0.65 2nxhH1 LYS 4135 HG3 -1.09 0.06 0.01 -0.04 1.46 0.40 2nxhH1 LYS 4135 HD2 -0.66 0.03 0.00 -0.04 1.69 1.02 2nxhH1 LYS 4135 HD3 -0.33 -0.04 -0.03 -0.04 1.68 1.24 2nxhH1 LYS 4135 HE2 -0.13 -0.03 -0.04 -0.04 2.99 2.75 2nxhH1 LYS 4135 HE3 -0.06 0.06 -0.03 -0.04 2.99 2.92 2nxhH1 ASN 4136 H -0.24 0.23 -0.23 -0.55 8.53 7.74 2nxhH1 ASN 4136 HA -0.15 0.05 0.39 -0.75 4.76 4.30 2nxhH1 ASN 4136 HB2 -0.08 0.15 0.10 -0.04 2.88 3.01 2nxhH1 ASN 4136 HB3 -0.07 -0.01 -0.01 -0.04 2.79 2.65 2nxhH1 ASN 4136 HD21 -0.05 0.00 0.01 -0.04 7.03 6.95 2nxhH1 ASN 4136 HD22 -0.04 0.00 0.03 -0.04 7.74 7.69 2nxhH1 VAL 4137 H -0.12 0.20 -0.44 -0.55 8.24 7.34 2nxhH1 VAL 4137 HA -0.03 0.03 0.44 -0.75 4.13 3.81 2nxhH1 VAL 4137 HB -0.04 0.17 0.14 -0.04 2.12 2.35 2nxhH1 VAL 4137 HG13 -0.01 -0.00 -0.09 -0.04 0.97 0.82 2nxhH1 VAL 4137 HG23 -0.02 0.01 0.01 -0.04 0.95 0.91 2nxhH1 VAL 4138 H -0.11 0.51 -0.09 -0.55 8.24 7.99 2nxhH1 VAL 4138 HA 0.01 -0.00 0.36 -0.75 4.13 3.74 2nxhH1 VAL 4138 HB -0.10 0.11 0.13 -0.04 2.12 2.22 2nxhH1 VAL 4138 HG13 0.06 0.05 -0.04 -0.04 0.97 1.00 2nxhH1 VAL 4138 HG23 0.12 0.04 -0.07 -0.04 0.95 1.00 2nxhH1 GLU 4139 H -0.10 0.44 -0.18 -0.55 8.60 8.21 2nxhH1 GLU 4139 HA 0.00 0.04 0.39 -0.75 4.29 3.97 2nxhH1 GLU 4139 HB2 -0.08 0.02 0.08 -0.04 2.09 2.07 2nxhH1 GLU 4139 HB3 -0.07 0.09 0.14 -0.04 1.99 2.11 2nxhH1 GLU 4139 HG2 -0.03 -0.01 -0.23 -0.04 2.34 2.03 2nxhH1 GLU 4139 HG3 0.01 -0.01 0.02 -0.04 2.34 2.32 2nxhH1 LYS 4140 H -0.02 0.46 -0.23 -0.55 8.42 8.08 2nxhH1 LYS 4140 HA 0.04 -0.01 0.36 -0.75 4.32 3.96 2nxhH1 LYS 4140 HB2 0.01 0.18 0.15 -0.04 1.87 2.16 2nxhH1 LYS 4140 HB3 0.03 -0.09 -0.05 -0.04 1.79 1.64 2nxhH1 LYS 4140 HG2 -0.03 -0.07 0.04 -0.04 1.46 1.36 2nxhH1 LYS 4140 HG3 -0.03 0.21 0.10 -0.04 1.46 1.70 2nxhH1 LYS 4140 HD2 -0.00 0.06 -0.02 -0.04 1.69 1.69 2nxhH1 LYS 4140 HD3 0.00 -0.11 -0.01 -0.04 1.68 1.51 2nxhH1 LYS 4140 HE2 -0.03 -0.06 0.01 -0.04 2.99 2.88 2nxhH1 LYS 4140 HE3 -0.03 0.03 -0.03 -0.04 2.99 2.93 2nxhH1 LEU 4141 H 0.03 0.45 -0.15 -0.55 8.37 8.14 2nxhH1 LEU 4141 HA 0.04 -0.02 0.31 -0.75 4.35 3.93 2nxhH1 LEU 4141 HB2 0.02 0.16 0.11 -0.04 1.64 1.89 2nxhH1 LEU 4141 HB3 0.02 -0.02 -0.07 -0.04 1.64 1.53 2nxhH1 LEU 4141 HG 0.02 0.05 0.01 -0.04 1.64 1.67 2nxhH1 LEU 4141 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.78 2nxhH1 LEU 4141 HD23 0.02 -0.03 -0.07 -0.04 0.89 0.77 2nxhH1 LYS 4142 H 0.04 0.61 -0.13 -0.55 8.42 8.39 2nxhH1 LYS 4142 HA 0.02 0.25 0.44 -0.75 4.32 4.27 2nxhH1 LYS 4142 HB2 0.05 0.03 0.16 -0.04 1.87 2.07 2nxhH1 LYS 4142 HB3 0.04 -0.05 -0.00 -0.04 1.79 1.73 2nxhH1 LYS 4142 HG2 0.02 0.11 0.03 -0.04 1.46 1.58 2nxhH1 LYS 4142 HG3 0.03 0.05 0.01 -0.04 1.46 1.51 2nxhH1 LYS 4142 HD2 0.03 -0.06 -0.06 -0.04 1.69 1.56 2nxhH1 LYS 4142 HD3 0.03 -0.05 -0.01 -0.04 1.68 1.62 2nxhH1 LYS 4142 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 2nxhH1 LYS 4142 HE3 0.05 0.04 -0.01 -0.04 2.99 3.03 2nxhH1 PHE 4143 H 0.18 0.61 -0.11 -0.55 8.34 8.47 2nxhH1 PHE 4143 HA -0.00 -0.02 0.36 -0.75 4.62 4.20 2nxhH1 PHE 4143 HB2 -0.01 -0.01 0.13 -0.04 3.15 3.22 2nxhH1 PHE 4143 HB3 -0.01 0.14 0.16 -0.04 3.06 3.31 2nxhH1 PHE 4143 HD2 -0.00 0.01 -0.08 -0.04 7.28 7.17 2nxhH1 PHE 4143 HE2 -0.00 -0.04 -0.02 -0.04 7.38 7.28 2nxhH1 PHE 4143 HZ 0.00 -0.04 -0.01 -0.04 7.32 7.23 2nxhH1 GLY 4144 H 0.11 0.41 -0.35 -0.55 8.43 8.05 2nxhH1 GLY 4144 HA2 -0.06 -0.00 0.48 -0.51 4.01 3.92 2nxhH1 GLY 4144 HA3 0.04 -0.09 0.30 -0.51 4.01 3.75 2nxhH1 GLY 4145 H -0.05 0.58 -0.53 -0.55 8.43 7.88 2nxhH1 GLY 4145 HA2 -0.06 -0.02 0.25 -0.51 4.01 3.68 2nxhH1 GLY 4145 HA3 -0.05 0.11 0.66 -0.51 4.01 4.22 2nxhH1 ALA 4146 H -0.00 0.48 -0.02 -0.55 8.40 8.31 2nxhH1 ALA 4146 HA -0.00 0.11 0.45 -0.75 4.34 4.14 2nxhH1 ALA 4146 HB3 0.01 -0.05 -0.13 -0.04 1.41 1.20 2nxhH1 LYS 4147 H -0.01 0.07 0.14 -0.55 8.42 8.07 2nxhH1 LYS 4147 HA -0.01 0.19 0.83 -0.75 4.32 4.57 2nxhH1 LYS 4147 HB2 -0.01 -0.02 0.08 -0.04 1.87 1.88 2nxhH1 LYS 4147 HB3 -0.01 -0.04 0.03 -0.04 1.79 1.73 2nxhH1 LYS 4147 HG2 -0.01 -0.01 -0.08 -0.04 1.46 1.32 2nxhH1 LYS 4147 HG3 -0.01 0.18 -0.08 -0.04 1.46 1.51 2nxhH1 LYS 4147 HD2 -0.00 0.03 0.03 -0.04 1.69 1.71 2nxhH1 LYS 4147 HD3 -0.00 -0.06 0.00 -0.04 1.68 1.57 2nxhH1 LYS 4147 HE2 -0.01 0.12 0.03 -0.04 2.99 3.09 2nxhH1 LYS 4147 HE3 -0.00 -0.05 0.02 -0.04 2.99 2.92 2nxhH1 GLU 4148 H -0.02 0.10 0.09 -0.55 8.60 8.23 2nxhH1 GLU 4148 HA -0.13 0.17 0.80 -0.75 4.29 4.37 2nxhH1 GLU 4148 HB2 -0.02 0.04 0.07 -0.04 2.09 2.14 2nxhH1 GLU 4148 HB3 0.01 -0.08 0.24 -0.04 1.99 2.12 2nxhH1 GLU 4148 HG2 -0.21 -0.04 -0.15 -0.04 2.34 1.90 2nxhH1 GLU 4148 HG3 -0.12 0.05 -0.00 -0.04 2.34 2.23 2nxhH1 ILE 4149 H -0.19 0.29 0.11 -0.55 8.25 7.91 2nxhH1 ILE 4149 HA -0.06 0.28 1.13 -0.75 4.18 4.78 2nxhH1 ILE 4149 HB -0.04 0.05 0.07 -0.04 1.89 1.92 2nxhH1 ILE 4149 HG12 -0.00 -0.01 -0.22 -0.04 1.49 1.22 2nxhH1 ILE 4149 HG13 -0.03 -0.08 -0.67 -0.04 1.21 0.38 2nxhH1 ILE 4149 HG23 0.02 -0.02 -0.19 -0.04 0.93 0.70 2nxhH1 ILE 4149 HD13 0.01 0.02 -0.15 -0.04 0.88 0.71 2nxhH1 TYR 4150 H 0.11 0.72 0.44 -0.55 8.29 9.01 2nxhH1 TYR 4150 HA 0.01 0.30 1.02 -0.75 4.56 5.13 2nxhH1 TYR 4150 HB2 -0.01 -0.13 -0.02 -0.04 3.06 2.85 2nxhH1 TYR 4150 HB3 -0.02 -0.03 -0.16 -0.04 2.98 2.73 2nxhH1 TYR 4150 HD2 -0.02 0.01 -0.33 -0.04 7.15 6.77 2nxhH1 TYR 4150 HE2 -0.02 0.04 -0.19 -0.04 6.85 6.64 2nxhH1 LEU 4151 H 0.12 0.76 0.28 -0.55 8.37 8.99 2nxhH1 LEU 4151 HA 0.03 0.18 0.91 -0.75 4.35 4.72 2nxhH1 LEU 4151 HB2 0.08 0.10 0.03 -0.04 1.64 1.80 2nxhH1 LEU 4151 HB3 0.05 -0.06 -0.04 -0.04 1.64 1.54 2nxhH1 LEU 4151 HG 0.11 0.03 -0.30 -0.04 1.64 1.43 2nxhH1 LEU 4151 HD13 0.27 0.03 -0.12 -0.04 0.93 1.06 2nxhH1 LEU 4151 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 2nxhH1 THR 4152 H -0.05 0.69 0.20 -0.55 8.28 8.57 2nxhH1 THR 4152 HA -0.05 0.30 1.07 -0.75 4.39 4.96 2nxhH1 THR 4152 HB -0.19 -0.08 -0.07 -0.04 4.32 3.93 2nxhH1 THR 4152 HG23 -0.31 -0.02 -0.42 -0.04 1.22 0.43 2nxhH1 GLU 4153 H -0.04 0.82 0.39 -0.55 8.60 9.22 2nxhH1 GLU 4153 HA -0.10 0.08 0.66 -0.75 4.29 4.18 2nxhH1 GLU 4153 HB2 -0.02 0.06 0.05 -0.04 2.09 2.14 2nxhH1 GLU 4153 HB3 0.09 0.05 0.26 -0.04 1.99 2.35 2nxhH1 GLU 4153 HG2 -0.07 0.04 -0.07 -0.04 2.34 2.20 2nxhH1 GLU 4153 HG3 0.02 -0.04 -0.24 -0.04 2.34 2.04 2nxhH1 ARG 4154 H -0.16 0.30 0.17 -0.55 8.46 8.21 2nxhH1 ARG 4154 HA -0.21 0.17 0.73 -0.75 4.34 4.27 2nxhH1 ARG 4154 HB2 -0.21 -0.05 0.06 -0.04 1.90 1.65 2nxhH1 ARG 4154 HB3 -0.32 -0.06 -0.16 -0.04 1.80 1.22 2nxhH1 ARG 4154 HG2 -0.31 -0.14 -0.10 -0.04 1.67 1.07 2nxhH1 ARG 4154 HG3 -0.22 0.17 0.01 -0.04 1.67 1.58 2nxhH1 ARG 4154 HD2 -0.25 0.08 -0.10 -0.04 3.22 2.91 2nxhH1 ARG 4154 HD3 -0.18 0.13 -0.15 -0.04 3.22 2.97 2nxhH1 GLY 4155 H -0.12 -0.03 -0.01 -0.55 8.43 7.72 2nxhH1 GLY 4155 HA2 -0.10 0.05 0.32 -0.51 4.01 3.76 2nxhH1 GLY 4155 HA3 -0.07 0.23 0.55 -0.51 4.01 4.22 2nxhH1 THR 4156 H -0.06 0.47 0.34 -0.55 8.28 8.47 2nxhH1 THR 4156 HA -0.06 0.18 1.03 -0.75 4.39 4.78 2nxhH1 THR 4156 HB -0.05 -0.04 0.08 -0.04 4.32 4.27 2nxhH1 THR 4156 HG23 -0.04 0.06 0.00 -0.04 1.22 1.20 2nxhH1 THR 4157 H 0.03 0.56 0.32 -0.55 8.28 8.63 2nxhH1 THR 4157 HA 0.08 0.10 0.49 -0.75 4.39 4.32 2nxhH1 THR 4157 HB 0.07 -0.00 0.18 -0.04 4.32 4.53 2nxhH1 THR 4157 HG23 0.06 -0.02 -0.05 -0.04 1.22 1.16 2nxhH1 PHE 4158 H 0.15 0.57 0.15 -0.55 8.34 8.65 2nxhH1 PHE 4158 HA -0.03 0.06 0.74 -0.75 4.62 4.63 2nxhH1 PHE 4158 HB2 -0.03 0.01 -0.16 -0.04 3.15 2.93 2nxhH1 PHE 4158 HB3 -0.02 -0.01 -0.17 -0.04 3.06 2.82 2nxhH1 PHE 4158 HD2 -0.03 0.03 -0.06 -0.04 7.28 7.19 2nxhH1 PHE 4158 HE2 -0.02 -0.01 -0.05 -0.04 7.38 7.26 2nxhH1 PHE 4158 HZ -0.02 -0.01 -0.05 -0.04 7.32 7.20 2nxhH1 GLY 4159 H -0.23 0.09 0.00 -0.55 8.43 7.75 2nxhH1 GLY 4159 HA2 -0.41 -0.01 0.30 -0.51 4.01 3.38 2nxhH1 GLY 4159 HA3 -0.34 0.12 0.54 -0.51 4.01 3.81 2nxhH1 TYR 4160 H -0.09 0.13 0.15 -0.55 8.29 7.93 2nxhH1 TYR 4160 HA 0.00 0.13 0.86 -0.75 4.56 4.80 2nxhH1 TYR 4160 HB2 -0.01 0.02 0.07 -0.04 3.06 3.10 2nxhH1 TYR 4160 HB3 0.00 0.03 0.02 -0.04 2.98 2.99 2nxhH1 TYR 4160 HD2 -0.01 0.03 -0.02 -0.04 7.15 7.11 2nxhH1 TYR 4160 HE2 -0.02 0.00 -0.03 -0.04 6.85 6.77 2nxhH1 ASN 4161 H 0.16 0.08 0.12 -0.55 8.53 8.34 2nxhH1 ASN 4161 HA 0.09 0.09 0.32 -0.75 4.76 4.51 2nxhH1 ASN 4161 HB2 0.08 0.06 -0.08 -0.04 2.88 2.90 2nxhH1 ASN 4161 HB3 0.06 0.04 0.12 -0.04 2.79 2.97 2nxhH1 ASN 4161 HD21 0.02 -0.14 0.04 -0.04 7.03 6.91 2nxhH1 ASN 4161 HD22 0.06 0.72 0.20 -0.04 7.74 8.68 2nxhH1 ASN 4162 H 0.10 0.16 -0.32 -0.55 8.53 7.93 2nxhH1 ASN 4162 HA 0.09 0.10 0.56 -0.75 4.76 4.76 2nxhH1 ASN 4162 HB2 0.10 0.09 -0.30 -0.04 2.88 2.73 2nxhH1 ASN 4162 HB3 0.16 0.25 -0.11 -0.04 2.79 3.05 2nxhH1 ASN 4162 HD21 0.15 -0.05 -0.03 -0.04 7.03 7.05 2nxhH1 ASN 4162 HD22 0.28 -0.01 -0.06 -0.04 7.74 7.91 2nxhH1 LEU 4163 H 0.07 0.30 0.15 -0.55 8.37 8.33 2nxhH1 LEU 4163 HA 0.08 0.26 0.88 -0.75 4.35 4.82 2nxhH1 LEU 4163 HB2 0.02 0.15 -0.01 -0.04 1.64 1.75 2nxhH1 LEU 4163 HB3 -0.01 -0.12 -0.02 -0.04 1.64 1.45 2nxhH1 LEU 4163 HG 0.06 -0.07 -0.37 -0.04 1.64 1.22 2nxhH1 LEU 4163 HD13 0.01 0.04 -0.07 -0.04 0.93 0.87 2nxhH1 LEU 4163 HD23 0.05 -0.01 -0.26 -0.04 0.89 0.62 2nxhH1 VAL 4164 H -0.02 0.55 0.31 -0.55 8.24 8.52 2nxhH1 VAL 4164 HA -0.17 0.21 0.93 -0.75 4.13 4.35 2nxhH1 VAL 4164 HB -0.63 0.04 -0.08 -0.04 2.12 1.40 2nxhH1 VAL 4164 HG13 -0.15 0.01 -0.12 -0.04 0.97 0.67 2nxhH1 VAL 4164 HG23 -0.35 0.01 -0.06 -0.04 0.95 0.50 2nxhH1 VAL 4165 H -0.14 0.24 0.12 -0.55 8.24 7.90 2nxhH1 VAL 4165 HA -0.21 0.08 0.93 -0.75 4.13 4.17 2nxhH1 VAL 4165 HB -0.26 0.03 0.14 -0.04 2.12 1.98 2nxhH1 VAL 4165 HG13 -0.94 -0.02 -0.22 -0.04 0.97 -0.25 2nxhH1 VAL 4165 HG23 -0.01 0.03 -0.13 -0.04 0.95 0.79 2nxhH1 ASP 4166 H -0.20 0.22 0.06 -0.55 8.40 7.93 2nxhH1 ASP 4166 HA -0.08 0.17 0.73 -0.75 4.63 4.70 2nxhH1 ASP 4166 HB2 -0.09 0.10 0.05 -0.04 2.71 2.72 2nxhH1 ASP 4166 HB3 -0.11 -0.01 0.23 -0.04 2.70 2.77 2nxhH1 PHE 4167 H 0.08 0.34 0.06 -0.55 8.34 8.27 2nxhH1 PHE 4167 HA -0.05 0.05 0.32 -0.75 4.62 4.18 2nxhH1 PHE 4167 HB2 -0.06 0.02 0.08 -0.04 3.15 3.15 2nxhH1 PHE 4167 HB3 -0.07 0.10 0.09 -0.04 3.06 3.13 2nxhH1 PHE 4167 HD2 -0.12 0.04 0.01 -0.04 7.28 7.17 2nxhH1 PHE 4167 HE2 -0.35 -0.00 -0.02 -0.04 7.38 6.97 2nxhH1 PHE 4167 HZ -0.30 0.04 0.01 -0.04 7.32 7.03 2nxhH1 ARG 4168 H 0.04 0.02 -0.58 -0.55 8.46 7.40 2nxhH1 ARG 4168 HA 0.06 0.16 0.44 -0.75 4.34 4.24 2nxhH1 ARG 4168 HB2 0.06 -0.04 0.01 -0.04 1.90 1.89 2nxhH1 ARG 4168 HB3 0.09 0.03 0.04 -0.04 1.80 1.91 2nxhH1 ARG 4168 HG2 0.05 0.08 0.02 -0.04 1.67 1.78 2nxhH1 ARG 4168 HG3 0.06 -0.06 -0.00 -0.04 1.67 1.62 2nxhH1 ARG 4168 HD2 0.09 0.02 0.00 -0.04 3.22 3.29 2nxhH1 ARG 4168 HD3 0.06 0.03 0.00 -0.04 3.22 3.26 2nxhH1 SER 4169 H -0.03 0.51 -0.21 -0.55 8.46 8.20 2nxhH1 SER 4169 HA -0.00 -0.01 0.39 -0.75 4.49 4.11 2nxhH1 SER 4169 HB2 -0.07 -0.05 0.08 -0.04 3.95 3.87 2nxhH1 SER 4169 HB3 -0.09 0.03 0.16 -0.04 3.93 3.98 2nxhH1 LEU 4170 H 0.01 0.26 -0.28 -0.55 8.37 7.81 2nxhH1 LEU 4170 HA -0.02 -0.04 0.37 -0.75 4.35 3.91 2nxhH1 LEU 4170 HB2 0.06 0.14 0.15 -0.04 1.64 1.95 2nxhH1 LEU 4170 HB3 -0.02 0.29 0.01 -0.04 1.64 1.88 2nxhH1 LEU 4170 HG 0.04 -0.00 0.00 -0.04 1.64 1.63 2nxhH1 LEU 4170 HD13 0.03 -0.06 -0.06 -0.04 0.93 0.80 2nxhH1 LEU 4170 HD23 0.14 0.01 -0.04 -0.04 0.89 0.97 2nxhH1 PRO 4171 HA -0.09 0.15 0.47 -0.51 4.44 4.45 2nxhH1 PRO 4171 HB2 -0.04 0.00 -0.02 -0.04 2.28 2.18 2nxhH1 PRO 4171 HB3 -0.04 0.09 0.09 -0.04 2.02 2.12 2nxhH1 PRO 4171 HG2 0.00 0.13 0.11 -0.04 2.03 2.22 2nxhH1 PRO 4171 HG3 0.00 -0.01 0.08 -0.04 2.03 2.06 2nxhH1 PRO 4171 HD2 0.02 0.06 -0.05 -0.04 3.68 3.66 2nxhH1 PRO 4171 HD3 -0.01 0.18 0.08 -0.04 3.65 3.86 2nxhH1 ILE 4172 H -0.04 0.28 -0.33 -0.55 8.25 7.62 2nxhH1 ILE 4172 HA -0.15 0.08 0.44 -0.75 4.18 3.80 2nxhH1 ILE 4172 HB 0.05 -0.01 0.11 -0.04 1.89 2.00 2nxhH1 ILE 4172 HG12 0.11 -0.01 -0.01 -0.04 1.49 1.54 2nxhH1 ILE 4172 HG13 0.06 0.27 0.07 -0.04 1.21 1.57 2nxhH1 ILE 4172 HG23 0.27 -0.03 -0.26 -0.04 0.93 0.87 2nxhH1 ILE 4172 HD13 0.32 -0.07 -0.10 -0.04 0.88 1.00 2nxhH1 MET 4173 H -0.09 0.69 0.02 -0.55 8.47 8.54 2nxhH1 MET 4173 HA -0.23 -0.00 0.38 -0.75 4.52 3.91 2nxhH1 MET 4173 HB2 -0.03 0.12 0.03 -0.04 2.15 2.22 2nxhH1 MET 4173 HB3 0.07 -0.06 -0.01 -0.04 2.03 1.99 2nxhH1 MET 4173 HG2 0.18 0.04 0.05 -0.04 2.63 2.86 2nxhH1 MET 4173 HG3 0.02 0.14 0.11 -0.04 2.56 2.78 2nxhH1 MET 4173 HE3 -0.02 -0.01 -0.20 -0.04 2.10 1.83 2nxhH1 LYS 4174 H -0.22 0.37 -0.41 -0.55 8.42 7.61 2nxhH1 LYS 4174 HA -0.14 0.20 0.45 -0.75 4.32 4.08 2nxhH1 LYS 4174 HB2 -0.11 0.05 0.12 -0.04 1.87 1.89 2nxhH1 LYS 4174 HB3 -0.15 0.13 0.07 -0.04 1.79 1.80 2nxhH1 LYS 4174 HG2 -0.08 0.00 -0.03 -0.04 1.46 1.32 2nxhH1 LYS 4174 HG3 -0.10 0.02 -0.07 -0.04 1.46 1.27 2nxhH1 LYS 4174 HD2 -0.07 0.17 0.19 -0.04 1.69 1.95 2nxhH1 LYS 4174 HD3 -0.05 -0.15 0.10 -0.04 1.68 1.53 2nxhH1 LYS 4174 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.91 2nxhH1 LYS 4174 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.92 2nxhH1 GLN 4175 H -0.69 0.33 -0.55 -0.55 8.47 7.01 2nxhH1 GLN 4175 HA -0.25 0.10 0.39 -0.75 4.36 3.84 2nxhH1 GLN 4175 HB2 -1.72 -0.03 0.05 -0.04 2.15 0.41 2nxhH1 GLN 4175 HB3 -0.35 -0.10 0.07 -0.04 2.02 1.60 2nxhH1 GLN 4175 HG2 -0.28 0.03 0.06 -0.04 2.40 2.17 2nxhH1 GLN 4175 HG3 -0.53 0.24 0.18 -0.04 2.39 2.23 2nxhH1 GLN 4175 HE21 -0.11 -0.18 0.04 -0.04 6.97 6.68 2nxhH1 GLN 4175 HE22 -0.59 0.36 0.24 -0.04 7.69 7.67 2nxhH1 TRP 4176 H -0.80 0.35 -0.27 -0.55 7.97 6.71 2nxhH1 TRP 4176 HA 0.00 0.24 0.98 -0.75 4.62 5.09 2nxhH1 TRP 4176 HB2 0.01 -0.05 0.11 -0.04 3.23 3.26 2nxhH1 TRP 4176 HB3 0.01 -0.01 -0.02 -0.04 3.23 3.18 2nxhH1 TRP 4176 HD1 0.00 0.03 -0.18 -0.04 7.22 7.04 2nxhH1 TRP 4176 HE1 0.02 -0.07 -0.11 -0.04 10.20 10.00 2nxhH1 TRP 4176 HE3 0.03 0.06 -0.14 -0.04 7.59 7.51 2nxhH1 TRP 4176 HZ2 0.12 -0.09 -0.05 -0.04 7.44 7.38 2nxhH1 TRP 4176 HZ3 0.05 -0.01 -0.01 -0.04 7.13 7.11 2nxhH1 TRP 4176 HH2 0.12 -0.07 0.02 -0.04 7.19 7.21 2nxhH1 ALA 4177 H -0.04 0.41 0.02 -0.55 8.40 8.25 2nxhH1 ALA 4177 HA 0.02 0.07 0.40 -0.75 4.34 4.07 2nxhH1 ALA 4177 HB3 0.11 0.04 -0.16 -0.04 1.41 1.35 2nxhH1 LYS 4178 H -0.10 0.43 0.29 -0.55 8.42 8.49 2nxhH1 LYS 4178 HA -0.00 0.11 0.65 -0.75 4.32 4.32 2nxhH1 LYS 4178 HB2 -0.25 0.04 0.14 -0.04 1.87 1.77 2nxhH1 LYS 4178 HB3 0.15 -0.04 0.01 -0.04 1.79 1.88 2nxhH1 LYS 4178 HG2 -0.02 0.04 0.04 -0.04 1.46 1.48 2nxhH1 LYS 4178 HG3 -0.11 -0.00 0.03 -0.04 1.46 1.34 2nxhH1 LYS 4178 HD2 -0.41 -0.03 -0.02 -0.04 1.69 1.19 2nxhH1 LYS 4178 HD3 0.03 0.02 -0.02 -0.04 1.68 1.66 2nxhH1 LYS 4178 HE2 -0.02 0.03 -0.00 -0.04 2.99 2.96 2nxhH1 LYS 4178 HE3 -0.08 0.00 0.01 -0.04 2.99 2.88 2nxhH1 VAL 4179 H 0.03 0.14 0.23 -0.55 8.24 8.09 2nxhH1 VAL 4179 HA 0.05 0.34 1.21 -0.75 4.13 4.98 2nxhH1 VAL 4179 HB -0.00 -0.05 0.21 -0.04 2.12 2.23 2nxhH1 VAL 4179 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.84 2nxhH1 VAL 4179 HG23 -0.03 0.09 -0.19 -0.04 0.95 0.78 2nxhH1 ILE 4180 H 0.03 0.66 0.34 -0.55 8.25 8.73 2nxhH1 ILE 4180 HA -0.02 0.28 0.86 -0.75 4.18 4.54 2nxhH1 ILE 4180 HB -0.04 -0.10 -0.14 -0.04 1.89 1.57 2nxhH1 ILE 4180 HG12 0.03 -0.00 -0.42 -0.04 1.49 1.06 2nxhH1 ILE 4180 HG13 -0.17 -0.03 -0.31 -0.04 1.21 0.66 2nxhH1 ILE 4180 HG23 -0.01 -0.02 -0.45 -0.04 0.93 0.41 2nxhH1 ILE 4180 HD13 -0.22 0.04 -0.34 -0.04 0.88 0.32 2nxhH1 TYR 4181 H 0.13 0.61 0.31 -0.55 8.29 8.78 2nxhH1 TYR 4181 HA -0.02 0.13 0.99 -0.75 4.56 4.90 2nxhH1 TYR 4181 HB2 0.08 0.05 0.03 -0.04 3.06 3.18 2nxhH1 TYR 4181 HB3 0.10 0.03 0.22 -0.04 2.98 3.30 2nxhH1 TYR 4181 HD2 0.04 -0.03 -0.03 -0.04 7.15 7.09 2nxhH1 TYR 4181 HE2 -0.01 -0.05 -0.19 -0.04 6.85 6.57 2nxhH1 ASP 4182 H -0.40 0.85 0.24 -0.55 8.40 8.54 2nxhH1 ASP 4182 HA -0.09 0.08 0.74 -0.75 4.63 4.61 2nxhH1 ASP 4182 HB2 -0.49 0.00 -0.06 -0.04 2.71 2.12 2nxhH1 ASP 4182 HB3 -0.35 0.11 0.25 -0.04 2.70 2.68 2nxhH1 ALA 4183 H -0.09 0.74 0.36 -0.55 8.40 8.86 2nxhH1 ALA 4183 HA -0.31 0.11 0.47 -0.75 4.34 3.85 2nxhH1 ALA 4183 HB3 0.16 0.03 0.09 -0.04 1.41 1.65 2nxhH1 THR 4184 H 0.06 0.07 -0.08 -0.55 8.28 7.78 2nxhH1 THR 4184 HA -0.01 0.26 0.70 -0.75 4.39 4.59 2nxhH1 THR 4184 HB -0.13 0.10 -0.04 -0.04 4.32 4.20 2nxhH1 THR 4184 HG23 0.01 -0.04 0.16 -0.04 1.22 1.30 2nxhH1 HIS 4185 H 0.05 0.04 -0.06 -0.55 8.41 7.90 2nxhH1 HIS 4185 HA -0.04 0.11 0.39 -0.75 4.63 4.34 2nxhH1 HIS 4185 HB2 -0.21 0.01 0.02 -0.04 3.26 3.05 2nxhH1 HIS 4185 HB3 -0.14 0.09 0.02 -0.04 3.20 3.14 2nxhH1 HIS 4185 HD2 -0.08 0.04 -0.04 -0.04 6.97 6.84 2nxhH1 HIS 4185 HE1 0.21 0.01 -0.10 -0.04 7.75 7.82 2nxhH1 SER 4186 H -0.06 0.15 -0.48 -0.55 8.46 7.52 2nxhH1 SER 4186 HA -0.03 0.21 0.14 -0.75 4.49 4.05 2nxhH1 SER 4186 HB2 -0.04 0.07 -0.07 -0.04 3.95 3.88 2nxhH1 SER 4186 HB3 0.05 -0.07 -0.15 -0.04 3.93 3.72 2nxhH1 VAL 4187 H 0.03 0.25 -0.52 -0.55 8.24 7.45 2nxhH1 VAL 4187 HA 0.06 0.25 0.83 -0.75 4.13 4.52 2nxhH1 VAL 4187 HB 0.19 -0.06 0.13 -0.04 2.12 2.34 2nxhH1 VAL 4187 HG13 0.17 -0.01 -0.26 -0.04 0.97 0.82 2nxhH1 VAL 4187 HG23 0.09 -0.01 -0.14 -0.04 0.95 0.85 2nxhH1 GLN 4188 H 0.02 0.30 -0.36 -0.55 8.47 7.88 2nxhH1 GLN 4188 HA 0.03 0.00 0.64 -0.75 4.36 4.28 2nxhH1 GLN 4188 HB2 -0.01 0.12 0.08 -0.04 2.15 2.30 2nxhH1 GLN 4188 HB3 -0.02 -0.06 0.11 -0.04 2.02 2.01 2nxhH1 GLN 4188 HG2 0.04 0.04 -0.22 -0.04 2.40 2.22 2nxhH1 GLN 4188 HG3 0.04 0.00 -0.46 -0.04 2.39 1.93 2nxhH1 GLN 4188 HE21 0.21 -0.12 -0.05 -0.04 6.97 6.97 2nxhH1 GLN 4188 HE22 0.01 0.06 -0.05 -0.04 7.69 7.67 2nxhH1 LEU 4189 H 0.04 0.15 -0.80 -0.55 8.37 7.21 2nxhH1 LEU 4189 HA 0.06 0.19 0.61 -0.75 4.35 4.46 2nxhH1 LEU 4189 HB2 0.05 -0.14 -0.03 -0.04 1.64 1.48 2nxhH1 LEU 4189 HB3 0.06 0.27 -0.06 -0.04 1.64 1.87 2nxhH1 LEU 4189 HG 0.07 -0.12 -0.17 -0.04 1.64 1.37 2nxhH1 LEU 4189 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 2nxhH1 LEU 4189 HD23 0.07 0.06 -0.17 -0.04 0.89 0.81 2nxhH1 PRO 4190 HA 0.07 -0.05 0.35 -0.51 4.44 4.31 2nxhH1 PRO 4190 HB2 0.10 -0.07 0.01 -0.04 2.28 2.28 2nxhH1 PRO 4190 HB3 0.12 -0.02 0.01 -0.04 2.02 2.09 2nxhH1 PRO 4190 HG2 0.09 0.03 -0.11 -0.04 2.03 2.00 2nxhH1 PRO 4190 HG3 0.08 0.04 -0.09 -0.04 2.03 2.01 2nxhH1 PRO 4190 HD2 0.08 -0.01 -0.29 -0.04 3.68 3.42 2nxhH1 PRO 4190 HD3 0.06 0.57 -0.03 -0.04 3.65 4.21 2nxhH1 GLY 4191 H 0.06 0.07 0.18 -0.55 8.43 8.19 2nxhH1 GLY 4191 HA2 0.04 -0.03 0.29 -0.51 4.01 3.80 2nxhH1 GLY 4191 HA3 0.04 0.05 0.30 -0.51 4.01 3.89 2nxhH1 GLY 4198 HA2 0.02 -0.04 0.24 -0.51 4.01 3.72 2nxhH1 GLY 4198 HA3 0.03 0.05 0.27 -0.51 4.01 3.86 2nxhH1 GLY 4199 H 0.04 0.25 0.19 -0.55 8.43 8.37 2nxhH1 GLY 4199 HA2 0.05 0.19 0.54 -0.51 4.01 4.29 2nxhH1 GLY 4199 HA3 0.03 0.11 0.44 -0.51 4.01 4.07 2nxhH1 MET 4200 H 0.11 0.50 0.09 -0.55 8.47 8.62 2nxhH1 MET 4200 HA 0.06 0.14 0.97 -0.75 4.52 4.93 2nxhH1 MET 4200 HB2 0.47 0.04 0.24 -0.04 2.15 2.85 2nxhH1 MET 4200 HB3 0.22 -0.08 0.13 -0.04 2.03 2.27 2nxhH1 MET 4200 HG2 0.14 0.05 -0.06 -0.04 2.63 2.71 2nxhH1 MET 4200 HG3 0.14 -0.02 -0.32 -0.04 2.56 2.33 2nxhH1 MET 4200 HE3 0.07 0.03 -0.02 -0.04 2.10 2.14 2nxhH1 ARG 4201 H 0.01 0.34 0.06 -0.55 8.46 8.31 2nxhH1 ARG 4201 HA 0.03 0.08 0.39 -0.75 4.34 4.09 2nxhH1 ARG 4201 HB2 -0.01 0.20 0.06 -0.04 1.90 2.11 2nxhH1 ARG 4201 HB3 -0.02 -0.03 0.04 -0.04 1.80 1.75 2nxhH1 ARG 4201 HG2 -0.01 -0.07 -0.07 -0.04 1.67 1.48 2nxhH1 ARG 4201 HG3 0.00 0.04 0.00 -0.04 1.67 1.67 2nxhH1 ARG 4201 HD2 -0.02 -0.05 -0.04 -0.04 3.22 3.07 2nxhH1 ARG 4201 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2nxhH1 GLU 4202 H -0.16 0.10 -0.38 -0.55 8.60 7.61 2nxhH1 GLU 4202 HA -0.13 0.06 0.41 -0.75 4.29 3.88 2nxhH1 GLU 4202 HB2 -0.40 0.03 0.10 -0.04 2.09 1.77 2nxhH1 GLU 4202 HB3 -0.24 -0.01 0.09 -0.04 1.99 1.79 2nxhH1 GLU 4202 HG2 -0.51 -0.09 -0.05 -0.04 2.34 1.65 2nxhH1 GLU 4202 HG3 -2.08 0.07 -0.18 -0.04 2.34 0.10 2nxhH1 PHE 4203 H -0.04 0.54 -0.30 -0.55 8.34 7.99 2nxhH1 PHE 4203 HA 0.06 0.16 0.88 -0.75 4.62 4.96 2nxhH1 PHE 4203 HB2 0.06 0.14 0.09 -0.04 3.15 3.40 2nxhH1 PHE 4203 HB3 0.06 -0.05 0.12 -0.04 3.06 3.16 2nxhH1 PHE 4203 HD2 0.03 0.05 0.04 -0.04 7.28 7.37 2nxhH1 PHE 4203 HE2 0.02 0.00 -0.01 -0.04 7.38 7.35 2nxhH1 PHE 4203 HZ 0.02 0.00 -0.02 -0.04 7.32 7.28 2nxhH1 ILE 4204 H 0.12 0.41 -0.11 -0.55 8.25 8.12 2nxhH1 ILE 4204 HA 0.19 0.14 0.42 -0.75 4.18 4.18 2nxhH1 ILE 4204 HB 0.10 0.02 0.19 -0.04 1.89 2.15 2nxhH1 ILE 4204 HG12 0.08 0.11 0.10 -0.04 1.49 1.74 2nxhH1 ILE 4204 HG13 0.08 -0.07 0.18 -0.04 1.21 1.36 2nxhH1 ILE 4204 HG23 0.10 -0.00 -0.16 -0.04 0.93 0.83 2nxhH1 ILE 4204 HD13 0.02 -0.02 0.04 -0.04 0.88 0.87 2nxhH1 PHE 4205 H 0.25 0.19 -0.09 -0.55 8.34 8.13 2nxhH1 PHE 4205 HA 0.07 0.04 0.38 -0.75 4.62 4.35 2nxhH1 PHE 4205 HB2 0.02 -0.01 0.08 -0.04 3.15 3.20 2nxhH1 PHE 4205 HB3 0.02 0.09 0.04 -0.04 3.06 3.17 2nxhH1 PHE 4205 HD2 0.02 -0.02 0.04 -0.04 7.28 7.28 2nxhH1 PHE 4205 HE2 0.01 0.02 -0.03 -0.04 7.38 7.33 2nxhH1 PHE 4205 HZ 0.00 0.03 -0.03 -0.04 7.32 7.28 2nxhH1 PRO 4206 HA -0.14 0.05 0.44 -0.51 4.44 4.28 2nxhH1 PRO 4206 HB2 0.15 0.06 0.09 -0.04 2.28 2.54 2nxhH1 PRO 4206 HB3 0.02 0.02 0.08 -0.04 2.02 2.10 2nxhH1 PRO 4206 HG2 0.09 0.17 0.17 -0.04 2.03 2.41 2nxhH1 PRO 4206 HG3 -0.02 0.00 0.07 -0.04 2.03 2.04 2nxhH1 PRO 4206 HD2 0.17 -0.04 -0.38 -0.04 3.68 3.38 2nxhH1 PRO 4206 HD3 0.16 0.04 0.04 -0.04 3.65 3.84 2nxhH1 LEU 4207 H 0.19 0.60 -0.20 -0.55 8.37 8.41 2nxhH1 LEU 4207 HA 0.07 0.02 0.46 -0.75 4.35 4.14 2nxhH1 LEU 4207 HB2 0.32 0.21 0.11 -0.04 1.64 2.23 2nxhH1 LEU 4207 HB3 0.36 -0.09 -0.01 -0.04 1.64 1.86 2nxhH1 LEU 4207 HG 0.20 0.10 0.07 -0.04 1.64 1.97 2nxhH1 LEU 4207 HD13 0.17 -0.02 -0.07 -0.04 0.93 0.98 2nxhH1 LEU 4207 HD23 0.23 -0.02 -0.01 -0.04 0.89 1.05 2nxhH1 ILE 4208 H 0.24 0.46 -0.18 -0.55 8.25 8.22 2nxhH1 ILE 4208 HA 0.23 -0.01 0.46 -0.75 4.18 4.11 2nxhH1 ILE 4208 HB 0.32 0.10 0.13 -0.04 1.89 2.39 2nxhH1 ILE 4208 HG12 0.20 -0.00 -0.11 -0.04 1.49 1.54 2nxhH1 ILE 4208 HG13 0.33 -0.05 0.05 -0.04 1.21 1.50 2nxhH1 ILE 4208 HG23 0.39 0.14 0.04 -0.04 0.93 1.45 2nxhH1 ILE 4208 HD13 0.16 -0.01 -0.08 -0.04 0.88 0.92 2nxhH1 ARG 4209 H 0.03 0.52 -0.17 -0.55 8.46 8.29 2nxhH1 ARG 4209 HA -0.02 0.02 0.35 -0.75 4.34 3.93 2nxhH1 ARG 4209 HB2 -0.16 0.19 0.14 -0.04 1.90 2.03 2nxhH1 ARG 4209 HB3 -0.14 -0.03 0.01 -0.04 1.80 1.60 2nxhH1 ARG 4209 HG2 -0.11 -0.06 -0.02 -0.04 1.67 1.45 2nxhH1 ARG 4209 HG3 -0.43 0.23 0.04 -0.04 1.67 1.46 2nxhH1 ARG 4209 HD2 -0.23 0.00 -0.02 -0.04 3.22 2.93 2nxhH1 ARG 4209 HD3 -0.67 -0.04 -0.04 -0.04 3.22 2.43 2nxhH1 ALA 4210 H -0.16 0.32 -0.28 -0.55 8.40 7.73 2nxhH1 ALA 4210 HA -0.31 0.05 0.42 -0.75 4.34 3.74 2nxhH1 ALA 4210 HB3 -0.69 0.03 0.10 -0.04 1.41 0.80 2nxhH1 ALA 4211 H -0.24 0.48 -0.19 -0.55 8.40 7.91 2nxhH1 ALA 4211 HA -0.03 0.00 0.39 -0.75 4.34 3.94 2nxhH1 ALA 4211 HB3 -0.27 0.02 0.08 -0.04 1.41 1.19 2nxhH1 VAL 4212 H -0.02 0.52 -0.09 -0.55 8.24 8.10 2nxhH1 VAL 4212 HA 0.07 0.01 0.39 -0.75 4.13 3.84 2nxhH1 VAL 4212 HB -0.07 0.02 0.00 -0.04 2.12 2.03 2nxhH1 VAL 4212 HG13 0.03 0.01 0.00 -0.04 0.97 0.97 2nxhH1 VAL 4212 HG23 -0.03 0.03 0.01 -0.04 0.95 0.92 2nxhH1 ALA 4213 H -0.07 0.36 -0.35 -0.55 8.40 7.80 2nxhH1 ALA 4213 HA 0.06 0.03 0.34 -0.75 4.34 4.02 2nxhH1 ALA 4213 HB3 -0.09 -0.01 0.08 -0.04 1.41 1.35 2nxhH1 VAL 4214 H -0.11 0.43 -0.20 -0.55 8.24 7.80 2nxhH1 VAL 4214 HA -0.03 -0.01 0.47 -0.75 4.13 3.81 2nxhH1 VAL 4214 HB -0.06 0.05 0.17 -0.04 2.12 2.24 2nxhH1 VAL 4214 HG13 -0.00 0.01 -0.05 -0.04 0.97 0.88 2nxhH1 VAL 4214 HG23 -0.20 -0.00 0.05 -0.04 0.95 0.76 2nxhH1 GLY 4215 H -0.11 0.53 -0.14 -0.55 8.43 8.16 2nxhH1 GLY 4215 HA2 -0.78 0.04 0.33 -0.51 4.01 3.09 2nxhH1 GLY 4215 HA3 -0.79 0.17 0.87 -0.51 4.01 3.75 2nxhH1 CYS 4216 H -0.05 0.35 0.23 -0.55 8.50 8.49 2nxhH1 CYS 4216 HA -0.02 0.11 0.62 -0.75 4.58 4.52 2nxhH1 CYS 4216 HB2 0.07 0.03 0.06 -0.04 2.97 3.09 2nxhH1 CYS 4216 HB3 0.06 0.05 -0.18 -0.04 2.97 2.86 2nxhH1 ASP 4217 H 0.00 0.54 0.40 -0.55 8.40 8.79 2nxhH1 ASP 4217 HA 0.04 0.20 0.80 -0.75 4.63 4.92 2nxhH1 ASP 4217 HB2 0.03 -0.03 0.08 -0.04 2.71 2.75 2nxhH1 ASP 4217 HB3 0.01 0.05 0.14 -0.04 2.70 2.87 2nxhH1 GLY 4218 H -0.19 0.26 0.17 -0.55 8.43 8.13 2nxhH1 GLY 4218 HA2 -1.70 0.16 0.56 -0.51 4.01 2.52 2nxhH1 GLY 4218 HA3 -0.50 0.00 0.40 -0.51 4.01 3.40 2nxhH1 VAL 4219 H -0.24 0.72 0.37 -0.55 8.24 8.55 2nxhH1 VAL 4219 HA 0.12 0.12 1.08 -0.75 4.13 4.70 2nxhH1 VAL 4219 HB 0.20 0.03 0.09 -0.04 2.12 2.40 2nxhH1 VAL 4219 HG13 0.16 -0.01 -0.16 -0.04 0.97 0.91 2nxhH1 VAL 4219 HG23 0.40 -0.00 -0.12 -0.04 0.95 1.19 2nxhH1 PHE 4220 H 0.13 0.76 0.35 -0.55 8.34 9.03 2nxhH1 PHE 4220 HA -0.09 0.31 0.87 -0.75 4.62 4.96 2nxhH1 PHE 4220 HB2 -0.12 0.03 -0.17 -0.04 3.15 2.85 2nxhH1 PHE 4220 HB3 -0.12 -0.09 0.05 -0.04 3.06 2.85 2nxhH1 PHE 4220 HD2 -0.07 -0.07 -0.30 -0.04 7.28 6.79 2nxhH1 PHE 4220 HE2 0.04 -0.04 -0.20 -0.04 7.38 7.14 2nxhH1 PHE 4220 HZ 0.01 -0.01 -0.19 -0.04 7.32 7.09 2nxhH1 MET 4221 H -0.32 0.83 0.28 -0.55 8.47 8.70 2nxhH1 MET 4221 HA 0.04 -0.12 0.68 -0.75 4.52 4.36 2nxhH1 MET 4221 HB2 -0.01 0.04 0.00 -0.04 2.15 2.14 2nxhH1 MET 4221 HB3 0.03 0.03 -0.16 -0.04 2.03 1.89 2nxhH1 MET 4221 HG2 -0.06 0.09 -0.07 -0.04 2.63 2.55 2nxhH1 MET 4221 HG3 -0.06 -0.03 -0.09 -0.04 2.56 2.35 2nxhH1 MET 4221 HE3 -0.04 -0.00 -0.12 -0.04 2.10 1.90 2nxhH1 GLU 4222 H -0.03 0.04 0.12 -0.55 8.60 8.18 2nxhH1 GLU 4222 HA -0.19 0.23 0.79 -0.75 4.29 4.36 2nxhH1 GLU 4222 HB2 -0.04 -0.03 0.06 -0.04 2.09 2.03 2nxhH1 GLU 4222 HB3 -0.05 -0.01 0.09 -0.04 1.99 1.98 2nxhH1 GLU 4222 HG2 -0.13 0.15 -0.19 -0.04 2.34 2.13 2nxhH1 GLU 4222 HG3 0.09 -0.12 -0.09 -0.04 2.34 2.17 2nxhH1 THR 4223 H -0.09 0.65 0.29 -0.55 8.28 8.58 2nxhH1 THR 4223 HA -0.01 0.19 0.87 -0.75 4.39 4.68 2nxhH1 THR 4223 HB -0.05 0.05 -0.24 -0.04 4.32 4.04 2nxhH1 THR 4223 HG23 -0.08 -0.02 -0.16 -0.04 1.22 0.92 2nxhH1 HIS 4224 H 0.05 0.60 0.14 -0.55 8.41 8.66 2nxhH1 HIS 4224 HA -0.02 0.13 0.57 -0.75 4.63 4.56 2nxhH1 HIS 4224 HB2 -0.03 0.05 -0.37 -0.04 3.26 2.88 2nxhH1 HIS 4224 HB3 -0.03 -0.00 -0.25 -0.04 3.20 2.87 2nxhH1 HIS 4224 HD2 -0.02 -0.06 0.05 -0.04 6.97 6.90 2nxhH1 HIS 4224 HE1 -0.02 0.05 -0.08 -0.04 7.75 7.67 2nxhH1 PRO 4225 HA 0.00 0.01 0.49 -0.51 4.44 4.43 2nxhH1 PRO 4225 HB2 -0.01 0.01 0.07 -0.04 2.28 2.31 2nxhH1 PRO 4225 HB3 -0.02 0.08 0.08 -0.04 2.02 2.12 2nxhH1 PRO 4225 HG2 -0.17 0.05 0.07 -0.04 2.03 1.94 2nxhH1 PRO 4225 HG3 -0.11 0.08 0.04 -0.04 2.03 2.01 2nxhH1 PRO 4225 HD2 -1.18 0.08 0.16 -0.04 3.68 2.69 2nxhH1 PRO 4225 HD3 -0.36 0.16 0.16 -0.04 3.65 3.58 2nxhH1 GLU 4226 H 0.68 0.11 -0.29 -0.55 8.60 8.56 2nxhH1 GLU 4226 HA 0.07 0.26 0.83 -0.75 4.29 4.69 2nxhH1 GLU 4226 HB2 0.10 -0.03 0.11 -0.04 2.09 2.23 2nxhH1 GLU 4226 HB3 0.03 0.02 0.04 -0.04 1.99 2.04 2nxhH1 GLU 4226 HG2 0.04 0.15 -0.19 -0.04 2.34 2.31 2nxhH1 GLU 4226 HG3 0.08 -0.11 -0.29 -0.04 2.34 1.98 2nxhH1 PRO 4227 HA -0.20 -0.04 0.31 -0.51 4.44 4.01 2nxhH1 PRO 4227 HB2 -0.04 -0.01 0.04 -0.04 2.28 2.23 2nxhH1 PRO 4227 HB3 -0.04 0.20 0.06 -0.04 2.02 2.19 2nxhH1 PRO 4227 HG2 -0.00 0.07 -0.09 -0.04 2.03 1.97 2nxhH1 PRO 4227 HG3 0.02 -0.01 -0.38 -0.04 2.03 1.62 2nxhH1 PRO 4227 HD2 0.01 0.09 0.11 -0.04 3.68 3.85 2nxhH1 PRO 4227 HD3 0.07 0.32 -0.26 -0.04 3.65 3.74 2nxhH1 GLU 4228 H -0.05 0.10 -0.26 -0.55 8.60 7.84 2nxhH1 GLU 4228 HA -0.06 0.09 0.33 -0.75 4.29 3.90 2nxhH1 GLU 4228 HB2 -0.03 0.04 -0.02 -0.04 2.09 2.04 2nxhH1 GLU 4228 HB3 -0.03 0.02 0.06 -0.04 1.99 2.00 2nxhH1 GLU 4228 HG2 -0.02 -0.06 -0.04 -0.04 2.34 2.18 2nxhH1 GLU 4228 HG3 -0.03 -0.00 -0.13 -0.04 2.34 2.13 2nxhH1 LYS 4229 H -0.14 0.48 -0.39 -0.55 8.42 7.81 2nxhH1 LYS 4229 HA -0.08 0.22 0.82 -0.75 4.32 4.53 2nxhH1 LYS 4229 HB2 -0.03 0.03 0.04 -0.04 1.87 1.87 2nxhH1 LYS 4229 HB3 -0.03 -0.04 0.12 -0.04 1.79 1.79 2nxhH1 LYS 4229 HG2 -0.02 0.05 -0.08 -0.04 1.46 1.37 2nxhH1 LYS 4229 HG3 -0.02 -0.08 -0.16 -0.04 1.46 1.15 2nxhH1 LYS 4229 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.62 2nxhH1 LYS 4229 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 2nxhH1 LYS 4229 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.94 2nxhH1 LYS 4229 HE3 0.00 -0.01 -0.05 -0.04 2.99 2.89 2nxhH1 ALA 4230 H -0.31 0.50 -0.16 -0.55 8.40 7.88 2nxhH1 ALA 4230 HA -0.32 -0.05 0.43 -0.75 4.34 3.65 2nxhH1 ALA 4230 HB3 -0.27 -0.01 0.07 -0.04 1.41 1.16 2nxhH1 LEU 4231 H -0.13 0.07 0.17 -0.55 8.37 7.93 2nxhH1 LEU 4231 HA -0.10 0.21 0.52 -0.75 4.35 4.23 2nxhH1 LEU 4231 HB2 -0.53 -0.06 0.00 -0.04 1.64 1.01 2nxhH1 LEU 4231 HB3 -0.45 -0.02 0.16 -0.04 1.64 1.29 2nxhH1 LEU 4231 HG -0.28 -0.05 0.10 -0.04 1.64 1.38 2nxhH1 LEU 4231 HD13 -0.95 -0.01 0.02 -0.04 0.93 -0.05 2nxhH1 LEU 4231 HD23 -0.16 0.05 -0.05 -0.04 0.89 0.69 2nxhH1 SER 4232 H -0.03 0.14 -0.46 -0.55 8.46 7.56 2nxhH1 SER 4232 HA 0.05 0.12 0.58 -0.75 4.49 4.48 2nxhH1 SER 4232 HB2 0.17 0.14 -0.33 -0.04 3.95 3.88 2nxhH1 SER 4232 HB3 0.09 -0.12 -0.13 -0.04 3.93 3.73 2nxhH1 ASP 4233 H 0.02 0.20 0.07 -0.55 8.40 8.14 2nxhH1 ASP 4233 HA -0.01 0.15 0.27 -0.75 4.63 4.29 2nxhH1 ASP 4233 HB2 -0.03 0.09 -0.24 -0.04 2.71 2.49 2nxhH1 ASP 4233 HB3 -0.09 0.02 0.09 -0.04 2.70 2.67 2nxhH1 ALA 4234 H -0.03 0.05 -0.41 -0.55 8.40 7.47 2nxhH1 ALA 4234 HA -0.09 0.02 0.30 -0.75 4.34 3.82 2nxhH1 ALA 4234 HB3 -0.06 0.07 -0.00 -0.04 1.41 1.38 2nxhH1 PRO 4235 HA -0.02 0.12 0.48 -0.51 4.44 4.50 2nxhH1 PRO 4235 HB2 0.00 0.06 -0.01 -0.04 2.28 2.29 2nxhH1 PRO 4235 HB3 -0.00 0.01 0.02 -0.04 2.02 2.01 2nxhH1 PRO 4235 HG2 -0.01 0.18 -0.41 -0.04 2.03 1.76 2nxhH1 PRO 4235 HG3 0.00 0.06 -0.10 -0.04 2.03 1.96 2nxhH1 PRO 4235 HD2 -0.02 -0.13 -0.39 -0.04 3.68 3.10 2nxhH1 PRO 4235 HD3 -0.01 0.10 -0.04 -0.04 3.65 3.66 2nxhH1 THR 4236 H -0.04 0.34 -0.49 -0.55 8.28 7.54 2nxhH1 THR 4236 HA -0.02 0.15 0.89 -0.75 4.39 4.67 2nxhH1 THR 4236 HB -0.06 -0.02 0.04 -0.04 4.32 4.24 2nxhH1 THR 4236 HG23 -0.03 -0.02 -0.34 -0.04 1.22 0.79 2nxhH1 ALA 4237 H -0.05 0.17 0.02 -0.55 8.40 8.00 2nxhH1 ALA 4237 HA -0.03 0.06 0.37 -0.75 4.34 3.99 2nxhH1 ALA 4237 HB3 -0.01 -0.03 -0.09 -0.04 1.41 1.24 2nxhH1 LEU 4238 H -0.02 0.57 0.30 -0.55 8.37 8.67 2nxhH1 LEU 4238 HA -0.02 0.14 0.60 -0.75 4.35 4.33 2nxhH1 LEU 4238 HB2 -0.02 0.17 0.18 -0.04 1.64 1.92 2nxhH1 LEU 4238 HB3 -0.03 -0.06 -0.06 -0.04 1.64 1.44 2nxhH1 LEU 4238 HG -0.05 -0.02 -0.04 -0.04 1.64 1.49 2nxhH1 LEU 4238 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.88 2nxhH1 LEU 4238 HD23 -0.04 -0.01 -0.10 -0.04 0.89 0.69 2nxhH1 PRO 4239 HA 0.02 0.26 0.56 -0.51 4.44 4.76 2nxhH1 PRO 4239 HB2 -0.01 -0.12 0.11 -0.04 2.28 2.23 2nxhH1 PRO 4239 HB3 0.00 0.09 0.16 -0.04 2.02 2.23 2nxhH1 PRO 4239 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 2nxhH1 PRO 4239 HG3 -0.00 0.07 0.10 -0.04 2.03 2.16 2nxhH1 PRO 4239 HD2 -0.02 0.05 0.21 -0.04 3.68 3.88 2nxhH1 PRO 4239 HD3 -0.01 0.28 0.26 -0.04 3.65 4.14 2nxhH1 LEU 4240 H 0.01 0.36 0.14 -0.55 8.37 8.33 2nxhH1 LEU 4240 HA -0.02 0.07 0.28 -0.75 4.35 3.93 2nxhH1 LEU 4240 HB2 -0.01 0.01 0.08 -0.04 1.64 1.68 2nxhH1 LEU 4240 HB3 -0.02 0.06 -0.10 -0.04 1.64 1.54 2nxhH1 LEU 4240 HG -0.04 -0.08 -0.17 -0.04 1.64 1.31 2nxhH1 LEU 4240 HD13 -0.04 0.01 -0.04 -0.04 0.93 0.81 2nxhH1 LEU 4240 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.82 2nxhH1 SER 4241 H -0.01 0.10 -0.27 -0.55 8.46 7.74 2nxhH1 SER 4241 HA -0.01 0.10 0.41 -0.75 4.49 4.24 2nxhH1 SER 4241 HB2 -0.01 0.04 0.06 -0.04 3.95 4.00 2nxhH1 SER 4241 HB3 -0.01 0.01 0.08 -0.04 3.93 3.97 2nxhH1 GLN 4242 H -0.02 0.53 -0.35 -0.55 8.47 8.08 2nxhH1 GLN 4242 HA -0.05 0.09 0.59 -0.75 4.36 4.25 2nxhH1 GLN 4242 HB2 -0.05 0.20 0.07 -0.04 2.15 2.33 2nxhH1 GLN 4242 HB3 -0.10 -0.03 0.01 -0.04 2.02 1.85 2nxhH1 GLN 4242 HG2 -0.05 0.00 0.01 -0.04 2.40 2.33 2nxhH1 GLN 4242 HG3 -0.03 -0.06 -0.03 -0.04 2.39 2.23 2nxhH1 GLN 4242 HE21 -0.02 0.02 0.02 -0.04 6.97 6.95 2nxhH1 GLN 4242 HE22 -0.02 -0.02 0.02 -0.04 7.69 7.63 2nxhH1 LEU 4243 H -0.03 0.39 -0.27 -0.55 8.37 7.92 2nxhH1 LEU 4243 HA -0.05 0.03 0.27 -0.75 4.35 3.85 2nxhH1 LEU 4243 HB2 0.00 0.15 0.09 -0.04 1.64 1.85 2nxhH1 LEU 4243 HB3 0.04 0.02 -0.12 -0.04 1.64 1.54 2nxhH1 LEU 4243 HG -0.01 -0.00 -0.09 -0.04 1.64 1.49 2nxhH1 LEU 4243 HD13 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2nxhH1 LEU 4243 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 2nxhH1 GLU 4244 H 0.03 0.21 -0.20 -0.55 8.60 8.10 2nxhH1 GLU 4244 HA 0.23 0.08 0.33 -0.75 4.29 4.17 2nxhH1 GLU 4244 HB2 0.06 0.04 0.09 -0.04 2.09 2.23 2nxhH1 GLU 4244 HB3 0.06 -0.01 0.04 -0.04 1.99 2.05 2nxhH1 GLU 4244 HG2 0.16 0.00 -0.07 -0.04 2.34 2.40 2nxhH1 GLU 4244 HG3 0.18 0.02 0.01 -0.04 2.34 2.51 2nxhH1 GLY 4245 H 0.00 0.18 -0.16 -0.55 8.43 7.92 2nxhH1 GLY 4245 HA2 0.04 0.04 0.36 -0.51 4.01 3.95 2nxhH1 GLY 4245 HA3 -0.03 0.06 0.28 -0.51 4.01 3.81 2nxhH1 ILE 4246 H -0.16 0.44 -0.23 -0.55 8.25 7.75 2nxhH1 ILE 4246 HA -0.43 0.01 0.43 -0.75 4.18 3.44 2nxhH1 ILE 4246 HB -0.19 0.12 0.09 -0.04 1.89 1.88 2nxhH1 ILE 4246 HG12 -1.45 -0.05 0.00 -0.04 1.49 -0.05 2nxhH1 ILE 4246 HG13 -0.52 0.06 0.03 -0.04 1.21 0.74 2nxhH1 ILE 4246 HG23 -0.12 -0.01 -0.17 -0.04 0.93 0.58 2nxhH1 ILE 4246 HD13 -0.25 -0.02 -0.10 -0.04 0.88 0.46 2nxhH1 ILE 4247 H -0.09 0.69 -0.05 -0.55 8.25 8.25 2nxhH1 ILE 4247 HA -0.15 -0.00 0.39 -0.75 4.18 3.67 2nxhH1 ILE 4247 HB -0.34 0.08 0.10 -0.04 1.89 1.69 2nxhH1 ILE 4247 HG12 -0.08 -0.04 -0.05 -0.04 1.49 1.28 2nxhH1 ILE 4247 HG13 -0.04 0.12 0.01 -0.04 1.21 1.26 2nxhH1 ILE 4247 HG23 -0.77 -0.00 -0.13 -0.04 0.93 -0.01 2nxhH1 ILE 4247 HD13 0.24 -0.01 -0.14 -0.04 0.88 0.93 2nxhH1 GLU 4248 H -0.03 0.57 -0.12 -0.55 8.60 8.47 2nxhH1 GLU 4248 HA 0.04 0.02 0.37 -0.75 4.29 3.97 2nxhH1 GLU 4248 HB2 0.29 0.01 0.09 -0.04 2.09 2.43 2nxhH1 GLU 4248 HB3 0.10 0.15 0.15 -0.04 1.99 2.34 2nxhH1 GLU 4248 HG2 0.11 -0.03 -0.02 -0.04 2.34 2.36 2nxhH1 GLU 4248 HG3 0.09 -0.02 -0.21 -0.04 2.34 2.16 2nxhH1 ALA 4249 H 0.04 0.42 -0.30 -0.55 8.40 8.01 2nxhH1 ALA 4249 HA 0.07 0.00 0.40 -0.75 4.34 4.06 2nxhH1 ALA 4249 HB3 0.28 0.03 0.10 -0.04 1.41 1.77 2nxhH1 ILE 4250 H -0.00 0.52 -0.06 -0.55 8.25 8.15 2nxhH1 ILE 4250 HA -0.04 0.01 0.39 -0.75 4.18 3.79 2nxhH1 ILE 4250 HB -0.17 -0.03 0.02 -0.04 1.89 1.67 2nxhH1 ILE 4250 HG12 -0.13 0.18 0.20 -0.04 1.49 1.70 2nxhH1 ILE 4250 HG13 -0.26 0.05 -0.21 -0.04 1.21 0.75 2nxhH1 ILE 4250 HG23 0.07 0.07 -0.01 -0.04 0.93 1.02 2nxhH1 ILE 4250 HD13 0.03 -0.02 -0.08 -0.04 0.88 0.76 2nxhH1 LEU 4251 H -0.13 0.57 -0.20 -0.55 8.37 8.06 2nxhH1 LEU 4251 HA -0.18 0.04 0.42 -0.75 4.35 3.88 2nxhH1 LEU 4251 HB2 -0.05 0.12 0.16 -0.04 1.64 1.83 2nxhH1 LEU 4251 HB3 -0.01 -0.04 0.01 -0.04 1.64 1.55 2nxhH1 LEU 4251 HG -0.23 0.07 0.00 -0.04 1.64 1.44 2nxhH1 LEU 4251 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.70 2nxhH1 LEU 4251 HD23 -0.07 -0.00 -0.04 -0.04 0.89 0.73 2nxhH1 GLU 4252 H -0.02 0.52 -0.13 -0.55 8.60 8.43 2nxhH1 GLU 4252 HA -0.01 0.04 0.49 -0.75 4.29 4.05 2nxhH1 GLU 4252 HB2 0.01 0.09 0.16 -0.04 2.09 2.32 2nxhH1 GLU 4252 HB3 0.00 -0.06 0.01 -0.04 1.99 1.90 2nxhH1 GLU 4252 HG2 0.02 -0.04 0.03 -0.04 2.34 2.31 2nxhH1 GLU 4252 HG3 0.04 0.13 0.06 -0.04 2.34 2.52 2nxhH1 ILE 4253 H -0.04 0.58 -0.10 -0.55 8.25 8.15 2nxhH1 ILE 4253 HA -0.03 0.04 0.55 -0.75 4.18 3.98 2nxhH1 ILE 4253 HB -0.04 0.06 0.10 -0.04 1.89 1.97 2nxhH1 ILE 4253 HG12 -0.04 -0.05 0.01 -0.04 1.49 1.37 2nxhH1 ILE 4253 HG13 -0.01 0.09 0.06 -0.04 1.21 1.31 2nxhH1 ILE 4253 HG23 -0.03 0.01 -0.10 -0.04 0.93 0.77 2nxhH1 ILE 4253 HD13 -0.04 -0.03 -0.05 -0.04 0.88 0.72 2nxhH1 ARG 4254 H -0.10 0.56 -0.18 -0.55 8.46 8.19 2nxhH1 ARG 4254 HA -0.00 0.10 0.41 -0.75 4.34 4.09 2nxhH1 ARG 4254 HB2 -0.28 0.07 0.13 -0.04 1.90 1.79 2nxhH1 ARG 4254 HB3 -0.16 0.06 0.16 -0.04 1.80 1.81 2nxhH1 ARG 4254 HG2 -0.02 -0.05 -0.08 -0.04 1.67 1.48 2nxhH1 ARG 4254 HG3 0.05 0.03 0.06 -0.04 1.67 1.76 2nxhH1 ARG 4254 HD2 -0.50 -0.04 -0.02 -0.04 3.22 2.62 2nxhH1 ARG 4254 HD3 -0.09 -0.00 -0.03 -0.04 3.22 3.06 2nxhH1 GLU 4255 H -0.07 0.52 -0.11 -0.55 8.60 8.39 2nxhH1 GLU 4255 HA -0.07 0.02 0.37 -0.75 4.29 3.86 2nxhH1 GLU 4255 HB2 -0.03 0.08 0.16 -0.04 2.09 2.26 2nxhH1 GLU 4255 HB3 -0.03 0.07 0.15 -0.04 1.99 2.14 2nxhH1 GLU 4255 HG2 -0.03 0.00 -0.19 -0.04 2.34 2.08 2nxhH1 GLU 4255 HG3 -0.03 -0.02 0.04 -0.04 2.34 2.29 2nxhH1 VAL 4256 H -0.04 0.32 -0.31 -0.55 8.24 7.66 2nxhH1 VAL 4256 HA -0.02 0.05 0.53 -0.75 4.13 3.94 2nxhH1 VAL 4256 HB -0.01 0.08 0.13 -0.04 2.12 2.28 2nxhH1 VAL 4256 HG13 0.03 -0.02 -0.08 -0.04 0.97 0.86 2nxhH1 VAL 4256 HG23 -0.01 -0.00 0.04 -0.04 0.95 0.94 2nxhH1 ALA 4257 H -0.06 0.53 -0.09 -0.55 8.40 8.24 2nxhH1 ALA 4257 HA 0.11 0.05 0.70 -0.75 4.34 4.45 2nxhH1 ALA 4257 HB3 0.06 0.03 0.11 -0.04 1.41 1.57 2nxhH1 SER 4258 H -0.36 0.86 0.07 -0.55 8.46 8.49 2nxhH1 SER 4258 HA -2.45 0.01 0.38 -0.75 4.49 1.67 2nxhH1 SER 4258 HB2 -0.28 -0.06 0.05 -0.04 3.95 3.61 2nxhH1 SER 4258 HB3 -0.32 0.02 0.12 -0.04 3.93 3.71 2nxhH1 LYS 4259 H -0.27 0.20 -0.61 -0.55 8.42 7.18 2nxhH1 LYS 4259 HA -0.26 0.00 0.37 -0.75 4.32 3.68 2nxhH1 LYS 4259 HB2 -0.26 0.00 0.07 -0.04 1.87 1.65 2nxhH1 LYS 4259 HB3 -0.54 0.12 0.03 -0.04 1.79 1.36 2nxhH1 LYS 4259 HG2 -0.81 0.00 -0.10 -0.04 1.46 0.51 2nxhH1 LYS 4259 HG3 -0.32 -0.05 0.08 -0.04 1.46 1.14 2nxhH1 LYS 4259 HD2 -0.20 -0.01 0.03 -0.04 1.69 1.48 2nxhH1 LYS 4259 HD3 -0.39 0.02 0.01 -0.04 1.68 1.28 2nxhH1 LYS 4259 HE2 -0.26 -0.01 -0.00 -0.04 2.99 2.67 2nxhH1 LYS 4259 HE3 -0.17 -0.02 0.02 -0.04 2.99 2.78 2nxhH1 TYR 4260 H -0.10 0.76 -0.21 -0.55 8.29 8.19 2nxhH1 TYR 4260 HA -0.02 0.14 0.90 -0.75 4.56 4.83 2nxhH1 TYR 4260 HB2 -0.00 0.13 0.08 -0.04 3.06 3.22 2nxhH1 TYR 4260 HB3 0.01 -0.10 0.14 -0.04 2.98 2.98 2nxhH1 TYR 4260 HD2 -0.05 0.08 0.07 -0.04 7.15 7.21 2nxhH1 TYR 4260 HE2 -0.04 0.02 0.02 -0.04 6.85 6.81 2nxhH1 TYR 4261 H -0.06 0.31 -0.15 -0.55 8.29 7.84 2nxhH1 TYR 4261 HA 0.04 0.05 0.42 -0.75 4.56 4.31 2nxhH1 TYR 4261 HB2 0.01 0.04 0.12 -0.04 3.06 3.19 2nxhH1 TYR 4261 HB3 0.02 -0.00 -0.03 -0.04 2.98 2.93 2nxhH1 TYR 4261 HD2 0.04 -0.01 -0.04 -0.04 7.15 7.10 2nxhH1 TYR 4261 HE2 0.03 0.08 -0.13 -0.04 6.85 6.79 2nxhH1 GLU 4262 H 0.11 0.09 0.24 -0.55 8.60 8.50 2nxhH1 GLU 4262 HA 0.06 -0.02 0.44 -0.75 4.29 4.01 2nxhH1 GLU 4262 HB2 0.02 -0.02 0.18 -0.04 2.09 2.23 2nxhH1 GLU 4262 HB3 0.02 0.03 0.01 -0.04 1.99 2.00 2nxhH1 GLU 4262 HG2 0.02 -0.07 0.07 -0.04 2.34 2.32 2nxhH1 GLU 4262 HG3 0.04 -0.02 0.09 -0.04 2.34 2.41 2nxhH1 THR 4263 H 0.03 0.05 0.21 -0.55 8.28 8.02 2nxhH1 THR 4263 HA 0.03 0.12 0.45 -0.75 4.39 4.23 2nxhH1 THR 4263 HB 0.01 -0.07 0.05 -0.04 4.32 4.27 2nxhH1 THR 4263 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 2nxhH1 ILE 4264 H 0.00 0.13 0.06 -0.55 8.25 7.90 2nxhH1 ILE 4264 HA -0.02 0.10 0.17 -0.75 4.18 3.68 2nxhH1 ILE 4264 HB -0.00 -0.00 0.03 -0.04 1.89 1.87 2nxhH1 ILE 4264 HG12 -0.01 0.02 0.06 -0.04 1.49 1.52 2nxhH1 ILE 4264 HG13 -0.01 0.05 0.05 -0.04 1.21 1.26 2nxhH1 ILE 4264 HG23 0.00 -0.01 -0.26 -0.04 0.93 0.62 2nxhH1 ILE 4264 HD13 0.01 -0.02 0.01 -0.04 0.88 0.84