============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 36 1.000 4.160 5.200 -29.229 -99.200 -91.000 PHE 39 1.000 12.084 2.899 -21.386 -99.200 -91.000 PHE 40 1.000 15.819 -1.735 -28.964 -99.200 -91.000 PHE 47 1.000 25.465 0.846 -47.951 -99.200 -91.000 TYR 62 0.840 45.143 5.786 -59.598 -99.200 -91.000 HIS 68 0.900 31.845 10.435 -44.971 -99.200 -91.000 PHE 86 1.000 33.583 8.026 -67.512 -99.200 -91.000 TYR 126 0.840 39.470 35.793 -48.455 -99.200 -91.000 PHE 134 1.000 21.377 20.163 -47.465 -99.200 -91.000 PHE 153 1.000 41.064 15.667 -38.807 -99.200 -91.000 PHE 195 1.000 36.722 19.813 -37.194 -99.200 -91.000 TYR 212 0.840 54.159 1.054 -50.181 -99.200 -91.000 PHE 244 1.000 41.034 0.271 -17.753 -99.200 -91.000 PHE 276 1.000 42.849 4.073 -26.855 -99.200 -91.000 PHE 323 1.000 31.748 -10.168 -55.046 -99.200 -91.000 TYR 394 0.840 52.709 -24.091 -55.538 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zleM1 GLN 4703 HA -0.00 -0.05 0.14 -0.75 4.36 3.70 2zleM1 GLN 4703 HB2 -0.00 0.03 0.13 -0.04 2.15 2.27 2zleM1 GLN 4703 HB3 -0.00 -0.03 0.13 -0.04 2.02 2.08 2zleM1 GLN 4703 HG2 -0.00 -0.00 0.04 -0.04 2.40 2.39 2zleM1 GLN 4703 HG3 -0.00 -0.01 0.04 -0.04 2.39 2.38 2zleM1 GLN 4703 HE21 -0.00 -0.00 0.01 -0.04 6.97 6.93 2zleM1 GLN 4703 HE22 -0.00 -0.01 0.02 -0.04 7.69 7.66 2zleM1 MET 4704 H -0.00 0.07 0.11 -0.55 8.47 8.10 2zleM1 MET 4704 HA -0.01 0.23 0.97 -0.75 4.52 4.96 2zleM1 MET 4704 HB2 -0.01 0.11 0.06 -0.04 2.15 2.26 2zleM1 MET 4704 HB3 -0.01 -0.02 0.04 -0.04 2.03 2.01 2zleM1 MET 4704 HG2 -0.00 -0.10 0.12 -0.04 2.63 2.61 2zleM1 MET 4704 HG3 -0.01 0.02 0.05 -0.04 2.56 2.58 2zleM1 MET 4704 HE3 -0.00 -0.00 0.01 -0.04 2.10 2.07 2zleM1 PRO 4705 HA -0.02 0.06 0.45 -0.51 4.44 4.43 2zleM1 PRO 4705 HB2 -0.03 -0.02 -0.02 -0.04 2.28 2.16 2zleM1 PRO 4705 HB3 -0.03 0.01 0.09 -0.04 2.02 2.05 2zleM1 PRO 4705 HG2 -0.02 0.01 0.09 -0.04 2.03 2.07 2zleM1 PRO 4705 HG3 -0.02 0.08 0.09 -0.04 2.03 2.15 2zleM1 PRO 4705 HD2 -0.02 0.06 0.21 -0.04 3.68 3.90 2zleM1 PRO 4705 HD3 -0.01 0.22 0.30 -0.04 3.65 4.11 2zleM1 SER 4706 H -0.02 0.26 0.22 -0.55 8.46 8.38 2zleM1 SER 4706 HA -0.02 0.10 0.61 -0.75 4.49 4.42 2zleM1 SER 4706 HB2 -0.01 0.26 -0.18 -0.04 3.95 3.97 2zleM1 SER 4706 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 2zleM1 LEU 4707 H -0.02 0.21 0.16 -0.55 8.37 8.17 2zleM1 LEU 4707 HA -0.02 0.19 0.74 -0.75 4.35 4.50 2zleM1 LEU 4707 HB2 -0.01 0.04 0.06 -0.04 1.64 1.68 2zleM1 LEU 4707 HB3 -0.01 0.00 0.10 -0.04 1.64 1.69 2zleM1 LEU 4707 HG -0.04 -0.02 -0.02 -0.04 1.64 1.52 2zleM1 LEU 4707 HD13 -0.03 0.01 -0.03 -0.04 0.93 0.84 2zleM1 LEU 4707 HD23 -0.05 0.02 -0.04 -0.04 0.89 0.78 2zleM1 ALA 4708 H -0.01 0.06 -0.15 -0.55 8.40 7.76 2zleM1 ALA 4708 HA 0.00 0.04 0.35 -0.75 4.34 3.98 2zleM1 ALA 4708 HB3 -0.00 0.04 0.04 -0.04 1.41 1.45 2zleM1 PRO 4709 HA 0.00 0.11 0.48 -0.51 4.44 4.53 2zleM1 PRO 4709 HB2 -0.00 0.04 0.01 -0.04 2.28 2.28 2zleM1 PRO 4709 HB3 -0.00 0.05 0.04 -0.04 2.02 2.07 2zleM1 PRO 4709 HG2 -0.00 0.09 0.02 -0.04 2.03 2.09 2zleM1 PRO 4709 HG3 -0.00 0.05 -0.02 -0.04 2.03 2.02 2zleM1 PRO 4709 HD2 -0.01 0.32 -0.25 -0.04 3.68 3.70 2zleM1 PRO 4709 HD3 -0.00 0.03 -0.05 -0.04 3.65 3.58 2zleM1 MET 4710 H -0.00 0.24 -0.19 -0.55 8.47 7.96 2zleM1 MET 4710 HA 0.00 0.17 0.68 -0.75 4.52 4.62 2zleM1 MET 4710 HB2 0.00 0.02 -0.07 -0.04 2.15 2.07 2zleM1 MET 4710 HB3 0.00 0.02 0.03 -0.04 2.03 2.04 2zleM1 MET 4710 HG2 0.00 0.08 -0.04 -0.04 2.63 2.63 2zleM1 MET 4710 HG3 -0.00 0.06 0.07 -0.04 2.56 2.65 2zleM1 MET 4710 HE3 0.01 0.02 -0.14 -0.04 2.10 1.95 2zleM1 LEU 4711 H 0.00 0.55 -0.01 -0.55 8.37 8.35 2zleM1 LEU 4711 HA 0.01 0.01 0.35 -0.75 4.35 3.96 2zleM1 LEU 4711 HB2 0.00 0.04 0.10 -0.04 1.64 1.74 2zleM1 LEU 4711 HB3 0.01 -0.01 0.02 -0.04 1.64 1.61 2zleM1 LEU 4711 HG 0.00 0.18 -0.03 -0.04 1.64 1.76 2zleM1 LEU 4711 HD13 0.01 -0.02 -0.11 -0.04 0.93 0.77 2zleM1 LEU 4711 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.77 2zleM1 GLU 4712 H 0.00 0.47 -0.38 -0.55 8.60 8.15 2zleM1 GLU 4712 HA 0.01 0.03 0.44 -0.75 4.29 4.01 2zleM1 GLU 4712 HB2 0.00 0.12 0.07 -0.04 2.09 2.25 2zleM1 GLU 4712 HB3 0.01 -0.02 0.02 -0.04 1.99 1.96 2zleM1 GLU 4712 HG2 0.01 -0.03 0.02 -0.04 2.34 2.30 2zleM1 GLU 4712 HG3 0.00 0.07 0.05 -0.04 2.34 2.42 2zleM1 LYS 4713 H 0.00 0.32 -0.39 -0.55 8.42 7.80 2zleM1 LYS 4713 HA 0.00 0.10 0.66 -0.75 4.32 4.33 2zleM1 LYS 4713 HB2 0.00 0.07 0.09 -0.04 1.87 1.99 2zleM1 LYS 4713 HB3 0.00 -0.05 0.12 -0.04 1.79 1.83 2zleM1 LYS 4713 HG2 0.00 -0.03 -0.02 -0.04 1.46 1.37 2zleM1 LYS 4713 HG3 0.00 0.19 0.09 -0.04 1.46 1.69 2zleM1 LYS 4713 HD2 0.00 -0.02 0.02 -0.04 1.69 1.65 2zleM1 LYS 4713 HD3 0.00 -0.04 0.00 -0.04 1.68 1.61 2zleM1 LYS 4713 HE2 0.00 -0.04 -0.03 -0.04 2.99 2.88 2zleM1 LYS 4713 HE3 0.00 0.03 0.01 -0.04 2.99 3.00 2zleM1 VAL 4714 H 0.01 0.26 -0.35 -0.55 8.24 7.61 2zleM1 VAL 4714 HA 0.01 0.19 0.95 -0.75 4.13 4.52 2zleM1 VAL 4714 HB 0.01 -0.00 0.14 -0.04 2.12 2.22 2zleM1 VAL 4714 HG13 0.01 -0.03 -0.17 -0.04 0.97 0.74 2zleM1 VAL 4714 HG23 0.01 0.04 -0.05 -0.04 0.95 0.90 2zleM1 MET 4715 H 0.01 0.71 0.20 -0.55 8.47 8.84 2zleM1 MET 4715 HA 0.01 -0.07 0.31 -0.75 4.52 4.02 2zleM1 MET 4715 HB2 0.01 0.10 0.11 -0.04 2.15 2.33 2zleM1 MET 4715 HB3 0.01 -0.02 0.02 -0.04 2.03 2.01 2zleM1 MET 4715 HG2 0.01 0.10 0.11 -0.04 2.63 2.81 2zleM1 MET 4715 HG3 0.01 -0.02 -0.00 -0.04 2.56 2.51 2zleM1 MET 4715 HE3 0.02 0.01 -0.00 -0.04 2.10 2.09 2zleM1 PRO 4716 HA 0.01 -0.04 0.46 -0.51 4.44 4.37 2zleM1 PRO 4716 HB2 0.00 0.04 -0.08 -0.04 2.28 2.20 2zleM1 PRO 4716 HB3 0.01 -0.03 0.09 -0.04 2.02 2.04 2zleM1 PRO 4716 HG2 0.01 0.07 -0.02 -0.04 2.03 2.05 2zleM1 PRO 4716 HG3 0.01 -0.02 -0.00 -0.04 2.03 1.98 2zleM1 PRO 4716 HD2 0.01 0.16 -0.66 -0.04 3.68 3.15 2zleM1 PRO 4716 HD3 0.01 0.13 -0.14 -0.04 3.65 3.61 2zleM1 SER 4717 H 0.01 0.73 -0.32 -0.55 8.46 8.33 2zleM1 SER 4717 HA -0.00 0.26 0.90 -0.75 4.49 4.89 2zleM1 SER 4717 HB2 0.00 0.08 0.06 -0.04 3.95 4.05 2zleM1 SER 4717 HB3 0.00 -0.16 0.18 -0.04 3.93 3.91 2zleM1 VAL 4718 H 0.01 0.46 -0.05 -0.55 8.24 8.11 2zleM1 VAL 4718 HA 0.01 0.15 0.98 -0.75 4.13 4.51 2zleM1 VAL 4718 HB 0.01 0.02 0.13 -0.04 2.12 2.24 2zleM1 VAL 4718 HG13 0.01 0.00 -0.12 -0.04 0.97 0.82 2zleM1 VAL 4718 HG23 0.01 -0.03 -0.06 -0.04 0.95 0.83 2zleM1 VAL 4719 H 0.01 0.45 0.29 -0.55 8.24 8.44 2zleM1 VAL 4719 HA 0.02 0.24 0.93 -0.75 4.13 4.57 2zleM1 VAL 4719 HB 0.02 0.02 -0.14 -0.04 2.12 1.99 2zleM1 VAL 4719 HG13 -0.01 0.01 -0.28 -0.04 0.97 0.65 2zleM1 VAL 4719 HG23 0.01 -0.00 -0.39 -0.04 0.95 0.52 2zleM1 SER 4720 H 0.03 0.51 0.29 -0.55 8.46 8.74 2zleM1 SER 4720 HA 0.02 0.16 0.85 -0.75 4.49 4.77 2zleM1 SER 4720 HB2 0.03 -0.06 0.01 -0.04 3.95 3.89 2zleM1 SER 4720 HB3 0.03 0.01 0.06 -0.04 3.93 3.99 2zleM1 ILE 4721 H 0.02 0.47 0.30 -0.55 8.25 8.48 2zleM1 ILE 4721 HA 0.03 0.34 1.05 -0.75 4.18 4.84 2zleM1 ILE 4721 HB 0.01 -0.09 -0.19 -0.04 1.89 1.58 2zleM1 ILE 4721 HG12 0.02 0.09 -0.31 -0.04 1.49 1.24 2zleM1 ILE 4721 HG13 0.01 -0.09 -0.86 -0.04 1.21 0.23 2zleM1 ILE 4721 HG23 0.02 0.00 -0.43 -0.04 0.93 0.48 2zleM1 ILE 4721 HD13 0.00 0.00 -0.44 -0.04 0.88 0.40 2zleM1 ASN 4722 H 0.03 0.77 0.26 -0.55 8.53 9.04 2zleM1 ASN 4722 HA 0.03 0.25 1.13 -0.75 4.76 5.42 2zleM1 ASN 4722 HB2 0.02 -0.04 0.06 -0.04 2.88 2.88 2zleM1 ASN 4722 HB3 0.01 0.01 0.00 -0.04 2.79 2.77 2zleM1 ASN 4722 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.96 2zleM1 ASN 4722 HD22 0.01 0.01 -0.03 -0.04 7.74 7.69 2zleM1 VAL 4723 H 0.03 0.74 0.33 -0.55 8.24 8.79 2zleM1 VAL 4723 HA 0.01 0.25 1.20 -0.75 4.13 4.83 2zleM1 VAL 4723 HB 0.10 -0.02 0.02 -0.04 2.12 2.17 2zleM1 VAL 4723 HG13 0.06 0.02 -0.18 -0.04 0.97 0.83 2zleM1 VAL 4723 HG23 0.04 -0.02 -0.36 -0.04 0.95 0.57 2zleM1 GLU 4724 H -0.06 0.71 0.49 -0.55 8.60 9.18 2zleM1 GLU 4724 HA -0.28 0.26 0.97 -0.75 4.29 4.49 2zleM1 GLU 4724 HB2 -0.08 0.02 0.00 -0.04 2.09 1.99 2zleM1 GLU 4724 HB3 -0.07 -0.03 0.24 -0.04 1.99 2.09 2zleM1 GLU 4724 HG2 -0.13 -0.05 -0.06 -0.04 2.34 2.07 2zleM1 GLU 4724 HG3 -0.14 0.06 0.13 -0.04 2.34 2.35 2zleM1 GLY 4725 H -0.81 0.57 0.40 -0.55 8.43 8.04 2zleM1 GLY 4725 HA2 -0.14 -0.05 0.54 -0.51 4.01 3.85 2zleM1 GLY 4725 HA3 -0.21 0.27 0.51 -0.51 4.01 4.07 2zleM1 SER 4726 H 0.13 0.25 0.23 -0.55 8.46 8.52 2zleM1 SER 4726 HA 0.25 0.38 1.21 -0.75 4.49 5.57 2zleM1 SER 4726 HB2 0.10 -0.09 -0.02 -0.04 3.95 3.89 2zleM1 SER 4726 HB3 0.04 -0.06 -0.22 -0.04 3.93 3.65 2zleM1 THR 4727 H 0.16 0.27 0.40 -0.55 8.28 8.56 2zleM1 THR 4727 HA 0.09 0.08 0.63 -0.75 4.39 4.44 2zleM1 THR 4727 HB 0.04 0.16 -0.19 -0.04 4.32 4.29 2zleM1 THR 4727 HG23 0.10 0.02 -0.19 -0.04 1.22 1.11 2zleM1 THR 4728 H 0.03 0.16 0.15 -0.55 8.28 8.08 2zleM1 THR 4728 HA 0.04 0.23 0.87 -0.75 4.39 4.77 2zleM1 THR 4728 HB 0.02 -0.03 0.15 -0.04 4.32 4.42 2zleM1 THR 4728 HG23 0.02 -0.00 -0.23 -0.04 1.22 0.96 2zleM1 VAL 4729 H 0.04 0.62 0.35 -0.55 8.24 8.70 2zleM1 VAL 4729 HA 0.03 0.10 0.80 -0.75 4.13 4.30 2zleM1 VAL 4729 HB 0.04 -0.02 -0.06 -0.04 2.12 2.03 2zleM1 VAL 4729 HG13 0.04 0.08 -0.08 -0.04 0.97 0.97 2zleM1 VAL 4729 HG23 0.04 0.06 0.06 -0.04 0.95 1.06 2zleM1 ASN 4730 H 0.04 0.08 0.13 -0.55 8.53 8.23 2zleM1 ASN 4730 HA 0.03 0.12 0.60 -0.75 4.76 4.77 2zleM1 ASN 4730 HB2 0.06 -0.02 -0.03 -0.04 2.88 2.85 2zleM1 ASN 4730 HB3 0.05 0.04 0.03 -0.04 2.79 2.87 2zleM1 ASN 4730 HD21 0.03 -0.00 0.01 -0.04 7.03 7.03 2zleM1 ASN 4730 HD22 0.06 -0.00 -0.00 -0.04 7.74 7.76 2zleM1 THR 4731 H 0.03 0.15 0.14 -0.55 8.28 8.06 2zleM1 THR 4731 HA 0.03 0.14 0.55 -0.75 4.39 4.36 2zleM1 THR 4731 HB 0.03 -0.07 0.14 -0.04 4.32 4.38 2zleM1 THR 4731 HG23 0.02 0.02 -0.11 -0.04 1.22 1.11 2zleM1 PRO 4732 HA 0.03 -0.02 0.35 -0.51 4.44 4.29 2zleM1 PRO 4732 HB2 0.01 -0.02 -0.03 -0.04 2.28 2.20 2zleM1 PRO 4732 HB3 0.00 0.01 0.01 -0.04 2.02 2.00 2zleM1 PRO 4732 HG2 0.02 0.00 0.06 -0.04 2.03 2.07 2zleM1 PRO 4732 HG3 0.02 0.06 0.07 -0.04 2.03 2.14 2zleM1 PRO 4732 HD2 0.02 0.06 0.17 -0.04 3.68 3.88 2zleM1 PRO 4732 HD3 0.03 0.27 0.31 -0.04 3.65 4.22 2zleM1 ARG 4733 H 0.02 0.12 0.18 -0.55 8.46 8.22 2zleM1 ARG 4733 HA 0.02 0.12 0.79 -0.75 4.34 4.51 2zleM1 ARG 4733 HB2 0.04 -0.05 0.18 -0.04 1.90 2.02 2zleM1 ARG 4733 HB3 0.03 0.03 0.07 -0.04 1.80 1.89 2zleM1 ARG 4733 HG2 0.06 0.14 -0.01 -0.04 1.67 1.82 2zleM1 ARG 4733 HG3 0.08 -0.07 0.07 -0.04 1.67 1.71 2zleM1 ARG 4733 HD2 0.04 -0.05 0.04 -0.04 3.22 3.20 2zleM1 ARG 4733 HD3 0.03 0.03 0.03 -0.04 3.22 3.26 2zleM1 MET 4734 H 0.00 0.16 0.16 -0.55 8.47 8.24 2zleM1 MET 4734 HA -0.02 0.34 0.80 -0.75 4.52 4.89 2zleM1 MET 4734 HB2 -0.00 0.03 -0.00 -0.04 2.15 2.13 2zleM1 MET 4734 HB3 -0.00 0.00 -0.06 -0.04 2.03 1.93 2zleM1 MET 4734 HG2 -0.00 -0.01 -0.03 -0.04 2.63 2.54 2zleM1 MET 4734 HG3 -0.01 -0.14 -0.07 -0.04 2.56 2.30 2zleM1 MET 4734 HE3 -0.02 -0.00 -0.45 -0.04 2.10 1.59 2zleM1 PRO 4735 HA -0.01 0.06 0.31 -0.51 4.44 4.28 2zleM1 PRO 4735 HB2 -0.03 0.04 -0.05 -0.04 2.28 2.20 2zleM1 PRO 4735 HB3 -0.01 0.01 0.12 -0.04 2.02 2.09 2zleM1 PRO 4735 HG2 -0.02 0.03 0.06 -0.04 2.03 2.06 2zleM1 PRO 4735 HG3 -0.01 0.02 0.04 -0.04 2.03 2.04 2zleM1 PRO 4735 HD2 -0.02 0.06 0.21 -0.04 3.68 3.88 2zleM1 PRO 4735 HD3 -0.01 0.17 0.33 -0.04 3.65 4.10 2zleM1 ARG 4736 H -0.02 0.16 0.13 -0.55 8.46 8.18 2zleM1 ARG 4736 HA -0.06 0.27 1.00 -0.75 4.34 4.80 2zleM1 ARG 4736 HB2 -0.00 -0.04 0.15 -0.04 1.90 1.97 2zleM1 ARG 4736 HB3 -0.01 -0.01 -0.05 -0.04 1.80 1.69 2zleM1 ARG 4736 HG2 -0.02 -0.04 -0.08 -0.04 1.67 1.49 2zleM1 ARG 4736 HG3 -0.04 0.00 -0.02 -0.04 1.67 1.57 2zleM1 ARG 4736 HD2 -0.04 0.19 -0.30 -0.04 3.22 3.03 2zleM1 ARG 4736 HD3 -0.05 -0.00 -0.04 -0.04 3.22 3.08 2zleM1 ASN 4737 H -0.09 0.30 0.07 -0.55 8.53 8.27 2zleM1 ASN 4737 HA -0.14 0.14 0.87 -0.75 4.76 4.88 2zleM1 ASN 4737 HB2 -0.10 0.05 -0.05 -0.04 2.88 2.74 2zleM1 ASN 4737 HB3 -0.14 0.03 0.13 -0.04 2.79 2.77 2zleM1 ASN 4737 HD21 -0.13 0.01 -0.05 -0.04 7.03 6.81 2zleM1 ASN 4737 HD22 -0.10 0.03 -0.08 -0.04 7.74 7.55 2zleM1 PHE 4738 H -0.10 0.23 0.07 -0.55 8.34 7.99 2zleM1 PHE 4738 HA -0.07 0.15 0.42 -0.75 4.62 4.37 2zleM1 PHE 4738 HB2 -0.03 0.03 0.14 -0.04 3.15 3.25 2zleM1 PHE 4738 HB3 -0.04 0.02 0.07 -0.04 3.06 3.07 2zleM1 PHE 4738 HD2 -0.02 0.02 -0.09 -0.04 7.28 7.15 2zleM1 PHE 4738 HE2 -0.01 0.01 -0.03 -0.04 7.38 7.30 2zleM1 PHE 4738 HZ -0.01 0.00 -0.02 -0.04 7.32 7.25 2zleM1 GLN 4739 H -0.39 0.05 -0.63 -0.55 8.47 6.96 2zleM1 GLN 4739 HA -0.09 0.21 0.78 -0.75 4.36 4.51 2zleM1 GLN 4739 HB2 -0.18 0.02 0.16 -0.04 2.15 2.11 2zleM1 GLN 4739 HB3 -0.37 0.01 -0.04 -0.04 2.02 1.58 2zleM1 GLN 4739 HG2 -0.53 -0.09 -0.05 -0.04 2.40 1.68 2zleM1 GLN 4739 HG3 -0.27 0.04 -0.04 -0.04 2.39 2.08 2zleM1 GLN 4739 HE21 -0.19 0.01 -0.01 -0.04 6.97 6.74 2zleM1 GLN 4739 HE22 -0.43 -0.03 -0.02 -0.04 7.69 7.17 2zleM1 GLN 4740 H -0.19 0.29 -0.41 -0.55 8.47 7.61 2zleM1 GLN 4740 HA -0.56 0.11 0.63 -0.75 4.36 3.78 2zleM1 GLN 4740 HB2 -0.21 0.04 -0.12 -0.04 2.15 1.82 2zleM1 GLN 4740 HB3 -0.17 0.07 0.08 -0.04 2.02 1.96 2zleM1 GLN 4740 HG2 -0.07 -0.04 -0.00 -0.04 2.40 2.25 2zleM1 GLN 4740 HG3 -0.12 0.04 -0.11 -0.04 2.39 2.16 2zleM1 GLN 4740 HE21 -0.03 0.01 -0.03 -0.04 6.97 6.88 2zleM1 GLN 4740 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.61 2zleM1 PHE 4741 H -1.58 0.15 -0.01 -0.55 8.34 6.35 2zleM1 PHE 4741 HA 0.14 0.03 0.55 -0.75 4.62 4.59 2zleM1 PHE 4741 HB2 0.10 0.09 0.10 -0.04 3.15 3.40 2zleM1 PHE 4741 HB3 0.09 -0.01 0.08 -0.04 3.06 3.17 2zleM1 PHE 4741 HD2 0.05 0.05 0.08 -0.04 7.28 7.42 2zleM1 PHE 4741 HE2 0.02 0.00 0.00 -0.04 7.38 7.37 2zleM1 PHE 4741 HZ 0.02 -0.01 0.00 -0.04 7.32 7.29 2zleM1 PHE 4742 H 0.44 0.16 0.24 -0.55 8.34 8.64 2zleM1 PHE 4742 HA 0.05 0.09 0.26 -0.75 4.62 4.27 2zleM1 PHE 4742 HB2 0.02 -0.15 0.20 -0.04 3.15 3.18 2zleM1 PHE 4742 HB3 0.01 0.08 0.16 -0.04 3.06 3.27 2zleM1 PHE 4742 HD2 0.05 -0.06 0.00 -0.04 7.28 7.23 2zleM1 PHE 4742 HE2 0.03 -0.00 -0.05 -0.04 7.38 7.32 2zleM1 PHE 4742 HZ 0.03 0.01 -0.04 -0.04 7.32 7.27 2zleM1 GLY 4743 H -0.05 0.05 0.06 -0.55 8.43 7.94 2zleM1 GLY 4743 HA2 -0.28 0.04 0.21 -0.51 4.01 3.47 2zleM1 GLY 4743 HA3 -0.41 0.14 0.30 -0.51 4.01 3.52 2zleM1 GLY 4744 HA2 0.02 0.13 0.30 -0.51 4.01 3.95 2zleM1 GLY 4744 HA3 0.02 -0.09 0.15 -0.51 4.01 3.58 2zleM1 GLN 4745 H 0.03 0.46 0.23 -0.55 8.47 8.64 2zleM1 GLN 4745 HA 0.03 0.03 0.67 -0.75 4.36 4.34 2zleM1 GLN 4745 HB2 0.03 0.06 0.03 -0.04 2.15 2.22 2zleM1 GLN 4745 HB3 0.02 0.08 -0.06 -0.04 2.02 2.02 2zleM1 GLN 4745 HG2 0.03 -0.01 -0.29 -0.04 2.40 2.09 2zleM1 GLN 4745 HG3 0.03 -0.04 -0.08 -0.04 2.39 2.26 2zleM1 GLN 4745 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.90 2zleM1 GLN 4745 HE22 0.03 0.10 -0.17 -0.04 7.69 7.61 2zleM1 GLN 4746 H 0.03 0.09 0.17 -0.55 8.47 8.21 2zleM1 GLN 4746 HA 0.05 0.31 0.64 -0.75 4.36 4.61 2zleM1 GLN 4746 HB2 0.04 -0.02 0.12 -0.04 2.15 2.24 2zleM1 GLN 4746 HB3 0.06 -0.01 -0.00 -0.04 2.02 2.02 2zleM1 GLN 4746 HG2 0.04 -0.03 0.01 -0.04 2.40 2.38 2zleM1 GLN 4746 HG3 0.05 0.00 -0.02 -0.04 2.39 2.38 2zleM1 GLN 4746 HE21 0.07 -0.03 -0.23 -0.04 6.97 6.74 2zleM1 GLN 4746 HE22 0.07 0.01 -0.14 -0.04 7.69 7.59 2zleM1 GLN 4747 H 0.09 0.42 0.45 -0.55 8.47 8.89 2zleM1 GLN 4747 HA 0.06 0.10 0.86 -0.75 4.36 4.63 2zleM1 GLN 4747 HB2 0.07 0.01 0.01 -0.04 2.15 2.20 2zleM1 GLN 4747 HB3 0.10 0.06 -0.06 -0.04 2.02 2.07 2zleM1 GLN 4747 HG2 0.05 -0.03 -0.01 -0.04 2.40 2.37 2zleM1 GLN 4747 HG3 0.05 0.00 0.09 -0.04 2.39 2.49 2zleM1 GLN 4747 HE21 0.03 -0.02 -0.10 -0.04 6.97 6.84 2zleM1 GLN 4747 HE22 0.04 -0.02 -0.07 -0.04 7.69 7.59 2zleM1 LYS 4748 H 0.05 0.10 0.17 -0.55 8.42 8.18 2zleM1 LYS 4748 HA -0.00 0.26 0.81 -0.75 4.32 4.64 2zleM1 LYS 4748 HB2 -0.00 -0.04 0.12 -0.04 1.87 1.90 2zleM1 LYS 4748 HB3 -0.08 0.05 0.11 -0.04 1.79 1.84 2zleM1 LYS 4748 HG2 -0.02 0.01 -0.06 -0.04 1.46 1.35 2zleM1 LYS 4748 HG3 0.00 -0.05 0.02 -0.04 1.46 1.40 2zleM1 LYS 4748 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 2zleM1 LYS 4748 HD3 -0.05 0.02 -0.00 -0.04 1.68 1.60 2zleM1 LYS 4748 HE2 -0.02 -0.01 -0.05 -0.04 2.99 2.88 2zleM1 LYS 4748 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2zleM1 PHE 4749 H -0.47 0.65 0.50 -0.55 8.34 8.46 2zleM1 PHE 4749 HA 0.02 0.10 0.72 -0.75 4.62 4.71 2zleM1 PHE 4749 HB2 0.02 -0.00 0.07 -0.04 3.15 3.20 2zleM1 PHE 4749 HB3 0.02 0.03 -0.23 -0.04 3.06 2.85 2zleM1 PHE 4749 HD2 0.03 0.03 -0.40 -0.04 7.28 6.90 2zleM1 PHE 4749 HE2 0.03 0.10 -0.38 -0.04 7.38 7.09 2zleM1 PHE 4749 HZ 0.03 0.13 -0.40 -0.04 7.32 7.03 2zleM1 MET 4750 H 0.21 0.25 0.21 -0.55 8.47 8.59 2zleM1 MET 4750 HA -0.11 0.28 1.10 -0.75 4.52 5.03 2zleM1 MET 4750 HB2 0.05 -0.06 0.11 -0.04 2.15 2.21 2zleM1 MET 4750 HB3 0.02 0.06 0.05 -0.04 2.03 2.12 2zleM1 MET 4750 HG2 -0.06 0.07 0.06 -0.04 2.63 2.66 2zleM1 MET 4750 HG3 -0.03 -0.09 -0.29 -0.04 2.56 2.10 2zleM1 MET 4750 HE3 0.01 -0.01 -0.04 -0.04 2.10 2.02 2zleM1 ALA 4751 H 0.08 0.60 0.34 -0.55 8.40 8.88 2zleM1 ALA 4751 HA 0.14 0.17 0.93 -0.75 4.34 4.82 2zleM1 ALA 4751 HB3 0.21 0.00 -0.00 -0.04 1.41 1.58 2zleM1 LEU 4752 H 0.07 0.31 0.23 -0.55 8.37 8.43 2zleM1 LEU 4752 HA 0.03 0.31 0.91 -0.75 4.35 4.85 2zleM1 LEU 4752 HB2 0.03 0.07 0.23 -0.04 1.64 1.94 2zleM1 LEU 4752 HB3 0.05 -0.08 -0.27 -0.04 1.64 1.29 2zleM1 LEU 4752 HG 0.03 0.01 0.02 -0.04 1.64 1.65 2zleM1 LEU 4752 HD13 0.04 -0.02 -0.01 -0.04 0.93 0.90 2zleM1 LEU 4752 HD23 0.03 -0.03 -0.16 -0.04 0.89 0.70 2zleM1 GLY 4753 H 0.01 0.56 0.35 -0.55 8.43 8.80 2zleM1 GLY 4753 HA2 0.01 0.11 0.53 -0.51 4.01 4.15 2zleM1 GLY 4753 HA3 -0.03 0.02 0.39 -0.51 4.01 3.88 2zleM1 SER 4754 H -0.01 0.17 0.17 -0.55 8.46 8.24 2zleM1 SER 4754 HA 0.01 0.32 1.12 -0.75 4.49 5.18 2zleM1 SER 4754 HB2 0.01 -0.11 0.08 -0.04 3.95 3.88 2zleM1 SER 4754 HB3 0.01 0.09 0.16 -0.04 3.93 4.15 2zleM1 GLY 4755 H 0.01 0.54 0.29 -0.55 8.43 8.72 2zleM1 GLY 4755 HA2 -0.00 0.21 0.73 -0.51 4.01 4.44 2zleM1 GLY 4755 HA3 0.00 0.00 0.17 -0.51 4.01 3.68 2zleM1 VAL 4756 H 0.00 0.55 0.28 -0.55 8.24 8.53 2zleM1 VAL 4756 HA 0.01 0.32 1.09 -0.75 4.13 4.79 2zleM1 VAL 4756 HB 0.01 -0.08 0.08 -0.04 2.12 2.09 2zleM1 VAL 4756 HG13 0.01 0.03 -0.15 -0.04 0.97 0.81 2zleM1 VAL 4756 HG23 0.01 -0.02 -0.17 -0.04 0.95 0.73 2zleM1 ILE 4757 H -0.00 0.77 0.33 -0.55 8.25 8.80 2zleM1 ILE 4757 HA 0.00 0.08 0.52 -0.75 4.18 4.03 2zleM1 ILE 4757 HB -0.01 0.16 0.38 -0.04 1.89 2.37 2zleM1 ILE 4757 HG12 -0.05 -0.06 -0.13 -0.04 1.49 1.21 2zleM1 ILE 4757 HG13 -0.02 0.03 -0.02 -0.04 1.21 1.17 2zleM1 ILE 4757 HG23 -0.03 -0.07 -0.37 -0.04 0.93 0.42 2zleM1 ILE 4757 HD13 -0.05 0.01 0.03 -0.04 0.88 0.83 2zleM1 ILE 4758 H 0.04 0.93 0.48 -0.55 8.25 9.15 2zleM1 ILE 4758 HA 0.02 0.16 0.85 -0.75 4.18 4.45 2zleM1 ILE 4758 HB 0.02 0.06 0.02 -0.04 1.89 1.95 2zleM1 ILE 4758 HG12 0.00 -0.05 -0.08 -0.04 1.49 1.33 2zleM1 ILE 4758 HG13 0.01 -0.02 0.03 -0.04 1.21 1.19 2zleM1 ILE 4758 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.76 2zleM1 ILE 4758 HD13 0.01 0.02 -0.15 -0.04 0.88 0.73 2zleM1 ASP 4759 H 0.05 0.27 0.09 -0.55 8.40 8.27 2zleM1 ASP 4759 HA 0.03 0.18 0.70 -0.75 4.63 4.79 2zleM1 ASP 4759 HB2 0.21 0.16 -0.07 -0.04 2.71 2.97 2zleM1 ASP 4759 HB3 0.14 -0.11 0.15 -0.04 2.70 2.84 2zleM1 ALA 4760 H -0.02 0.24 -0.01 -0.55 8.40 8.06 2zleM1 ALA 4760 HA -0.06 0.10 0.18 -0.75 4.34 3.81 2zleM1 ALA 4760 HB3 -0.03 0.03 -0.08 -0.04 1.41 1.28 2zleM1 ASP 4761 H -0.05 0.03 -0.17 -0.55 8.40 7.66 2zleM1 ASP 4761 HA -0.07 0.16 0.48 -0.75 4.63 4.44 2zleM1 ASP 4761 HB2 -0.05 -0.09 0.09 -0.04 2.71 2.62 2zleM1 ASP 4761 HB3 -0.07 0.09 -0.10 -0.04 2.70 2.58 2zleM1 LYS 4762 H -0.19 -0.04 -0.16 -0.55 8.42 7.49 2zleM1 LYS 4762 HA -0.28 0.21 0.56 -0.75 4.32 4.06 2zleM1 LYS 4762 HB2 -0.74 -0.11 0.02 -0.04 1.87 1.00 2zleM1 LYS 4762 HB3 -1.40 0.08 0.01 -0.04 1.79 0.44 2zleM1 LYS 4762 HG2 -0.17 -0.09 -0.07 -0.04 1.46 1.09 2zleM1 LYS 4762 HG3 -0.15 -0.01 -0.03 -0.04 1.46 1.24 2zleM1 LYS 4762 HD2 -0.25 0.05 -0.00 -0.04 1.69 1.44 2zleM1 LYS 4762 HD3 -0.17 0.06 -0.03 -0.04 1.68 1.49 2zleM1 LYS 4762 HE2 -0.04 0.05 -0.03 -0.04 2.99 2.93 2zleM1 LYS 4762 HE3 -0.04 -0.05 -0.05 -0.04 2.99 2.81 2zleM1 GLY 4763 H -0.18 0.18 -0.53 -0.55 8.43 7.35 2zleM1 GLY 4763 HA2 -0.14 -0.00 0.22 -0.51 4.01 3.58 2zleM1 GLY 4763 HA3 -0.17 0.15 0.44 -0.51 4.01 3.92 2zleM1 TYR 4764 H -0.05 0.19 0.00 -0.55 8.29 7.89 2zleM1 TYR 4764 HA -0.03 0.41 0.80 -0.75 4.56 4.98 2zleM1 TYR 4764 HB2 -0.03 -0.18 0.12 -0.04 3.06 2.93 2zleM1 TYR 4764 HB3 -0.02 0.01 -0.09 -0.04 2.98 2.83 2zleM1 TYR 4764 HD2 -0.02 0.05 -0.11 -0.04 7.15 7.03 2zleM1 TYR 4764 HE2 -0.02 0.02 -0.11 -0.04 6.85 6.70 2zleM1 VAL 4765 H 0.10 0.77 0.28 -0.55 8.24 8.84 2zleM1 VAL 4765 HA 0.03 0.25 1.11 -0.75 4.13 4.77 2zleM1 VAL 4765 HB 0.02 -0.02 -0.11 -0.04 2.12 1.97 2zleM1 VAL 4765 HG13 0.01 -0.01 -0.50 -0.04 0.97 0.43 2zleM1 VAL 4765 HG23 -0.01 0.01 -0.36 -0.04 0.95 0.54 2zleM1 VAL 4766 H 0.01 0.63 0.31 -0.55 8.24 8.64 2zleM1 VAL 4766 HA -0.01 0.25 0.91 -0.75 4.13 4.53 2zleM1 VAL 4766 HB -0.01 -0.02 0.03 -0.04 2.12 2.08 2zleM1 VAL 4766 HG13 0.00 0.03 0.03 -0.04 0.97 0.99 2zleM1 VAL 4766 HG23 -0.01 0.01 -0.03 -0.04 0.95 0.88 2zleM1 THR 4767 H -0.01 0.77 0.40 -0.55 8.28 8.90 2zleM1 THR 4767 HA -0.01 0.11 0.54 -0.75 4.39 4.27 2zleM1 THR 4767 HB -0.01 0.03 -0.22 -0.04 4.32 4.08 2zleM1 THR 4767 HG23 -0.02 0.01 -0.32 -0.04 1.22 0.85 2zleM1 ASN 4768 H -0.09 0.24 0.21 -0.55 8.53 8.35 2zleM1 ASN 4768 HA -0.01 0.33 0.90 -0.75 4.76 5.22 2zleM1 ASN 4768 HB2 -0.56 -0.08 0.12 -0.04 2.88 2.31 2zleM1 ASN 4768 HB3 -0.06 -0.08 0.19 -0.04 2.79 2.80 2zleM1 ASN 4768 HD21 0.11 0.78 0.30 -0.04 7.03 8.18 2zleM1 ASN 4768 HD22 0.15 -0.08 0.21 -0.04 7.74 7.98 2zleM1 ASN 4769 H 0.02 0.34 -0.35 -0.55 8.53 7.99 2zleM1 ASN 4769 HA -0.01 0.09 0.25 -0.75 4.76 4.34 2zleM1 ASN 4769 HB2 0.02 -0.00 -0.26 -0.04 2.88 2.59 2zleM1 ASN 4769 HB3 0.05 -0.05 -0.17 -0.04 2.79 2.57 2zleM1 ASN 4769 HD21 0.04 0.06 -0.15 -0.04 7.03 6.93 2zleM1 ASN 4769 HD22 0.07 0.02 -0.27 -0.04 7.74 7.52 2zleM1 HIS 4770 H 0.01 0.12 -0.29 -0.55 8.41 7.70 2zleM1 HIS 4770 HA -0.00 0.14 0.41 -0.75 4.63 4.43 2zleM1 HIS 4770 HB2 -0.01 0.08 0.04 -0.04 3.26 3.33 2zleM1 HIS 4770 HB3 -0.00 -0.05 0.06 -0.04 3.20 3.17 2zleM1 HIS 4770 HD2 0.00 0.10 -0.22 -0.04 6.97 6.81 2zleM1 HIS 4770 HE1 0.01 0.14 0.10 -0.04 7.75 7.96 2zleM1 VAL 4771 H -0.23 0.23 -0.61 -0.55 8.24 7.08 2zleM1 VAL 4771 HA -0.02 0.20 0.59 -0.75 4.13 4.15 2zleM1 VAL 4771 HB -0.10 0.02 -0.04 -0.04 2.12 1.96 2zleM1 VAL 4771 HG13 -0.01 -0.00 -0.38 -0.04 0.97 0.54 2zleM1 VAL 4771 HG23 -0.35 -0.02 -0.05 -0.04 0.95 0.49 2zleM1 VAL 4772 H -0.03 0.16 -0.08 -0.55 8.24 7.74 2zleM1 VAL 4772 HA 0.06 0.18 0.43 -0.75 4.13 4.04 2zleM1 VAL 4772 HB 0.03 -0.01 -0.07 -0.04 2.12 2.02 2zleM1 VAL 4772 HG13 0.00 0.01 -0.23 -0.04 0.97 0.72 2zleM1 VAL 4772 HG23 0.01 -0.00 -0.23 -0.04 0.95 0.69 2zleM1 ASP 4773 H 0.03 0.27 -0.34 -0.55 8.40 7.81 2zleM1 ASP 4773 HA 0.04 -0.08 0.33 -0.75 4.63 4.17 2zleM1 ASP 4773 HB2 0.03 0.35 0.11 -0.04 2.71 3.16 2zleM1 ASP 4773 HB3 0.01 0.05 -0.09 -0.04 2.70 2.62 2zleM1 ASN 4774 H 0.06 0.06 0.15 -0.55 8.53 8.26 2zleM1 ASN 4774 HA 0.10 -0.03 0.34 -0.75 4.76 4.41 2zleM1 ASN 4774 HB2 0.09 0.27 -0.27 -0.04 2.88 2.93 2zleM1 ASN 4774 HB3 0.28 0.10 0.21 -0.04 2.79 3.34 2zleM1 ASN 4774 HD21 -0.02 -0.05 -0.06 -0.04 7.03 6.86 2zleM1 ASN 4774 HD22 -0.06 0.06 -0.23 -0.04 7.74 7.46 2zleM1 ALA 4775 H 0.12 0.30 -0.28 -0.55 8.40 7.98 2zleM1 ALA 4775 HA 0.10 0.06 0.36 -0.75 4.34 4.10 2zleM1 ALA 4775 HB3 0.07 -0.02 -0.07 -0.04 1.41 1.35 2zleM1 THR 4776 H -0.00 0.60 0.61 -0.55 8.28 8.94 2zleM1 THR 4776 HA 0.12 0.10 0.82 -0.75 4.39 4.67 2zleM1 THR 4776 HB -0.01 0.03 0.11 -0.04 4.32 4.41 2zleM1 THR 4776 HG23 0.08 -0.01 -0.01 -0.04 1.22 1.24 2zleM1 VAL 4777 H -0.02 0.62 0.44 -0.55 8.24 8.74 2zleM1 VAL 4777 HA 0.03 0.22 0.99 -0.75 4.13 4.61 2zleM1 VAL 4777 HB -0.03 -0.07 0.19 -0.04 2.12 2.18 2zleM1 VAL 4777 HG13 -0.00 0.00 -0.13 -0.04 0.97 0.80 2zleM1 VAL 4777 HG23 -0.01 -0.00 -0.15 -0.04 0.95 0.75 2zleM1 ILE 4778 H 0.03 0.31 0.16 -0.55 8.25 8.20 2zleM1 ILE 4778 HA 0.02 0.29 1.29 -0.75 4.18 5.02 2zleM1 ILE 4778 HB 0.03 0.01 -0.08 -0.04 1.89 1.81 2zleM1 ILE 4778 HG12 0.03 -0.07 -0.32 -0.04 1.49 1.09 2zleM1 ILE 4778 HG13 0.04 -0.06 -0.14 -0.04 1.21 1.01 2zleM1 ILE 4778 HG23 0.04 0.03 -0.21 -0.04 0.93 0.74 2zleM1 ILE 4778 HD13 0.03 0.03 -0.48 -0.04 0.88 0.42 2zleM1 LYS 4779 H 0.02 0.88 0.35 -0.55 8.42 9.12 2zleM1 LYS 4779 HA 0.05 0.18 1.08 -0.75 4.32 4.88 2zleM1 LYS 4779 HB2 0.02 0.04 0.15 -0.04 1.87 2.04 2zleM1 LYS 4779 HB3 0.03 0.02 0.04 -0.04 1.79 1.84 2zleM1 LYS 4779 HG2 0.03 0.11 0.08 -0.04 1.46 1.63 2zleM1 LYS 4779 HG3 0.02 -0.09 -0.21 -0.04 1.46 1.14 2zleM1 LYS 4779 HD2 0.00 -0.01 -0.05 -0.04 1.69 1.59 2zleM1 LYS 4779 HD3 0.01 -0.00 -0.03 -0.04 1.68 1.61 2zleM1 LYS 4779 HE2 0.00 0.02 -0.04 -0.04 2.99 2.94 2zleM1 LYS 4779 HE3 -0.00 -0.02 -0.06 -0.04 2.99 2.87 2zleM1 VAL 4780 H 0.09 0.56 0.21 -0.55 8.24 8.55 2zleM1 VAL 4780 HA 0.05 0.31 0.99 -0.75 4.13 4.73 2zleM1 VAL 4780 HB 0.09 -0.03 -0.10 -0.04 2.12 2.04 2zleM1 VAL 4780 HG13 0.04 0.00 -0.27 -0.04 0.97 0.71 2zleM1 VAL 4780 HG23 0.03 -0.01 -0.40 -0.04 0.95 0.54 2zleM1 GLN 4781 H 0.06 0.44 0.16 -0.55 8.47 8.59 2zleM1 GLN 4781 HA 0.12 0.29 1.10 -0.75 4.36 5.13 2zleM1 GLN 4781 HB2 0.05 -0.03 -0.11 -0.04 2.15 2.02 2zleM1 GLN 4781 HB3 0.04 -0.09 0.09 -0.04 2.02 2.03 2zleM1 GLN 4781 HG2 0.05 0.13 -0.20 -0.04 2.40 2.34 2zleM1 GLN 4781 HG3 0.05 0.15 -0.23 -0.04 2.39 2.31 2zleM1 GLN 4781 HE21 0.01 -0.06 -0.03 -0.04 6.97 6.85 2zleM1 GLN 4781 HE22 0.02 0.08 -0.03 -0.04 7.69 7.72 2zleM1 LEU 4782 H 0.18 0.56 0.16 -0.55 8.37 8.72 2zleM1 LEU 4782 HA 0.05 0.12 0.47 -0.75 4.35 4.24 2zleM1 LEU 4782 HB2 0.14 -0.14 0.13 -0.04 1.64 1.74 2zleM1 LEU 4782 HB3 0.07 -0.03 0.18 -0.04 1.64 1.82 2zleM1 LEU 4782 HG 0.27 0.07 -0.03 -0.04 1.64 1.91 2zleM1 LEU 4782 HD13 0.15 0.00 0.01 -0.04 0.93 1.04 2zleM1 LEU 4782 HD23 -0.06 0.01 -0.05 -0.04 0.89 0.74 2zleM1 SER 4783 H 0.03 0.27 0.20 -0.55 8.46 8.42 2zleM1 SER 4783 HA 0.03 0.14 0.47 -0.75 4.49 4.37 2zleM1 SER 4783 HB2 0.02 -0.06 0.10 -0.04 3.95 3.97 2zleM1 SER 4783 HB3 0.02 0.33 0.16 -0.04 3.93 4.40 2zleM1 ASP 4784 H 0.05 0.02 -0.27 -0.55 8.40 7.65 2zleM1 ASP 4784 HA 0.02 0.19 0.69 -0.75 4.63 4.79 2zleM1 ASP 4784 HB2 0.03 0.03 0.13 -0.04 2.71 2.85 2zleM1 ASP 4784 HB3 0.03 0.01 0.06 -0.04 2.70 2.76 2zleM1 GLY 4785 H 0.04 0.33 -0.53 -0.55 8.43 7.73 2zleM1 GLY 4785 HA2 0.03 0.07 0.19 -0.51 4.01 3.78 2zleM1 GLY 4785 HA3 0.02 0.17 0.65 -0.51 4.01 4.34 2zleM1 ARG 4786 H 0.07 -0.04 -0.19 -0.55 8.46 7.74 2zleM1 ARG 4786 HA -0.06 0.09 0.53 -0.75 4.34 4.15 2zleM1 ARG 4786 HB2 0.23 -0.11 0.08 -0.04 1.90 2.07 2zleM1 ARG 4786 HB3 -0.09 0.12 0.00 -0.04 1.80 1.79 2zleM1 ARG 4786 HG2 -0.02 0.04 0.02 -0.04 1.67 1.67 2zleM1 ARG 4786 HG3 0.02 -0.00 -0.06 -0.04 1.67 1.58 2zleM1 ARG 4786 HD2 0.06 0.00 -0.01 -0.04 3.22 3.23 2zleM1 ARG 4786 HD3 0.12 -0.09 0.00 -0.04 3.22 3.21 2zleM1 LYS 4787 H -0.23 0.14 0.23 -0.55 8.42 8.01 2zleM1 LYS 4787 HA 0.06 0.24 1.16 -0.75 4.32 5.03 2zleM1 LYS 4787 HB2 -0.11 -0.05 0.14 -0.04 1.87 1.81 2zleM1 LYS 4787 HB3 -0.03 0.04 0.06 -0.04 1.79 1.82 2zleM1 LYS 4787 HG2 0.01 0.01 -0.07 -0.04 1.46 1.37 2zleM1 LYS 4787 HG3 -0.03 0.11 -0.11 -0.04 1.46 1.39 2zleM1 LYS 4787 HD2 -0.01 -0.00 -0.03 -0.04 1.69 1.60 2zleM1 LYS 4787 HD3 -0.03 -0.03 -0.00 -0.04 1.68 1.58 2zleM1 LYS 4787 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.94 2zleM1 LYS 4787 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.87 2zleM1 PHE 4788 H 0.21 0.70 0.42 -0.55 8.34 9.11 2zleM1 PHE 4788 HA 0.00 0.18 0.83 -0.75 4.62 4.88 2zleM1 PHE 4788 HB2 0.00 -0.08 -0.02 -0.04 3.15 3.01 2zleM1 PHE 4788 HB3 0.00 0.13 0.16 -0.04 3.06 3.30 2zleM1 PHE 4788 HD2 -0.00 0.11 -0.23 -0.04 7.28 7.13 2zleM1 PHE 4788 HE2 -0.00 0.04 -0.07 -0.04 7.38 7.30 2zleM1 PHE 4788 HZ -0.00 0.02 -0.01 -0.04 7.32 7.29 2zleM1 ASP 4789 H 0.18 0.29 0.29 -0.55 8.40 8.62 2zleM1 ASP 4789 HA 0.07 0.17 1.05 -0.75 4.63 5.16 2zleM1 ASP 4789 HB2 0.07 -0.00 0.16 -0.04 2.71 2.89 2zleM1 ASP 4789 HB3 0.05 0.08 0.15 -0.04 2.70 2.93 2zleM1 ALA 4790 H 0.05 0.57 0.40 -0.55 8.40 8.88 2zleM1 ALA 4790 HA 0.04 0.30 0.94 -0.75 4.34 4.87 2zleM1 ALA 4790 HB3 0.04 -0.04 -0.24 -0.04 1.41 1.13 2zleM1 LYS 4791 H 0.04 0.44 0.28 -0.55 8.42 8.63 2zleM1 LYS 4791 HA 0.04 0.13 0.87 -0.75 4.32 4.61 2zleM1 LYS 4791 HB2 0.05 0.04 -0.04 -0.04 1.87 1.87 2zleM1 LYS 4791 HB3 0.04 0.04 0.09 -0.04 1.79 1.92 2zleM1 LYS 4791 HG2 0.04 -0.16 -0.52 -0.04 1.46 0.79 2zleM1 LYS 4791 HG3 0.04 0.03 -0.07 -0.04 1.46 1.42 2zleM1 LYS 4791 HD2 0.05 0.02 0.02 -0.04 1.69 1.74 2zleM1 LYS 4791 HD3 0.04 -0.04 -0.05 -0.04 1.68 1.60 2zleM1 LYS 4791 HE2 0.04 -0.04 -0.00 -0.04 2.99 2.95 2zleM1 LYS 4791 HE3 0.04 0.03 0.01 -0.04 2.99 3.03 2zleM1 MET 4792 H 0.04 0.14 0.10 -0.55 8.47 8.19 2zleM1 MET 4792 HA 0.03 0.06 0.52 -0.75 4.52 4.37 2zleM1 MET 4792 HB2 0.02 -0.02 0.10 -0.04 2.15 2.21 2zleM1 MET 4792 HB3 0.01 0.00 -0.11 -0.04 2.03 1.89 2zleM1 MET 4792 HG2 0.03 0.02 -0.04 -0.04 2.63 2.60 2zleM1 MET 4792 HG3 0.02 -0.01 -0.04 -0.04 2.56 2.49 2zleM1 MET 4792 HE3 0.01 -0.03 -0.22 -0.04 2.10 1.82 2zleM1 VAL 4793 H 0.01 0.38 0.35 -0.55 8.24 8.43 2zleM1 VAL 4793 HA 0.02 0.29 0.87 -0.75 4.13 4.56 2zleM1 VAL 4793 HB 0.06 0.07 -0.08 -0.04 2.12 2.14 2zleM1 VAL 4793 HG13 0.01 -0.01 -0.36 -0.04 0.97 0.57 2zleM1 VAL 4793 HG23 -0.08 -0.02 -0.30 -0.04 0.95 0.51 2zleM1 GLY 4794 H -0.01 0.27 0.31 -0.55 8.43 8.45 2zleM1 GLY 4794 HA2 -0.01 0.20 0.46 -0.51 4.01 4.16 2zleM1 GLY 4794 HA3 -0.03 0.01 0.27 -0.51 4.01 3.75 2zleM1 LYS 4795 H -0.00 0.37 0.22 -0.55 8.42 8.46 2zleM1 LYS 4795 HA -0.00 0.10 0.64 -0.75 4.32 4.30 2zleM1 LYS 4795 HB2 0.01 -0.08 0.08 -0.04 1.87 1.84 2zleM1 LYS 4795 HB3 0.01 0.11 -0.16 -0.04 1.79 1.70 2zleM1 LYS 4795 HG2 0.01 0.08 -0.01 -0.04 1.46 1.49 2zleM1 LYS 4795 HG3 0.01 -0.03 -0.18 -0.04 1.46 1.22 2zleM1 LYS 4795 HD2 0.02 -0.04 -0.08 -0.04 1.69 1.55 2zleM1 LYS 4795 HD3 0.01 0.02 -0.08 -0.04 1.68 1.59 2zleM1 LYS 4795 HE2 0.01 0.08 0.01 -0.04 2.99 3.05 2zleM1 LYS 4795 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 2zleM1 ASP 4796 H 0.01 0.37 0.09 -0.55 8.40 8.33 2zleM1 ASP 4796 HA 0.01 0.16 0.74 -0.75 4.63 4.79 2zleM1 ASP 4796 HB2 -0.00 0.10 -0.12 -0.04 2.71 2.65 2zleM1 ASP 4796 HB3 0.00 0.04 0.13 -0.04 2.70 2.83 2zleM1 PRO 4797 HA 0.04 0.02 0.36 -0.51 4.44 4.35 2zleM1 PRO 4797 HB2 0.02 0.01 -0.01 -0.04 2.28 2.25 2zleM1 PRO 4797 HB3 0.02 0.08 0.05 -0.04 2.02 2.14 2zleM1 PRO 4797 HG2 0.01 0.23 -0.01 -0.04 2.03 2.22 2zleM1 PRO 4797 HG3 0.02 0.04 0.01 -0.04 2.03 2.06 2zleM1 PRO 4797 HD2 0.01 0.05 -0.04 -0.04 3.68 3.67 2zleM1 PRO 4797 HD3 0.01 0.22 -0.09 -0.04 3.65 3.75 2zleM1 ARG 4798 H 0.02 0.07 -0.28 -0.55 8.46 7.72 2zleM1 ARG 4798 HA 0.04 0.09 0.42 -0.75 4.34 4.14 2zleM1 ARG 4798 HB2 0.01 -0.08 0.09 -0.04 1.90 1.88 2zleM1 ARG 4798 HB3 0.01 0.09 -0.08 -0.04 1.80 1.78 2zleM1 ARG 4798 HG2 0.01 -0.06 0.02 -0.04 1.67 1.61 2zleM1 ARG 4798 HG3 0.00 0.05 0.01 -0.04 1.67 1.69 2zleM1 ARG 4798 HD2 0.02 0.04 -0.04 -0.04 3.22 3.20 2zleM1 ARG 4798 HD3 0.03 -0.00 0.02 -0.04 3.22 3.23 2zleM1 SER 4799 H 0.01 0.11 -0.04 -0.55 8.46 8.00 2zleM1 SER 4799 HA 0.02 0.13 0.44 -0.75 4.49 4.32 2zleM1 SER 4799 HB2 -0.04 -0.01 0.03 -0.04 3.95 3.89 2zleM1 SER 4799 HB3 -0.04 -0.00 0.05 -0.04 3.93 3.90 2zleM1 ASP 4800 H 0.05 0.15 -0.53 -0.55 8.40 7.53 2zleM1 ASP 4800 HA 0.08 -0.04 0.25 -0.75 4.63 4.16 2zleM1 ASP 4800 HB2 0.11 0.13 -0.01 -0.04 2.71 2.90 2zleM1 ASP 4800 HB3 0.15 0.25 0.17 -0.04 2.70 3.22 2zleM1 ILE 4801 H 0.03 0.27 -0.11 -0.55 8.25 7.89 2zleM1 ILE 4801 HA 0.02 0.32 0.98 -0.75 4.18 4.75 2zleM1 ILE 4801 HB -0.00 -0.08 -0.04 -0.04 1.89 1.73 2zleM1 ILE 4801 HG12 0.03 0.16 -0.63 -0.04 1.49 1.01 2zleM1 ILE 4801 HG13 -0.01 -0.06 -0.17 -0.04 1.21 0.93 2zleM1 ILE 4801 HG23 -0.01 -0.00 -0.29 -0.04 0.93 0.59 2zleM1 ILE 4801 HD13 0.01 -0.00 -0.07 -0.04 0.88 0.78 2zleM1 ALA 4802 H -0.01 0.93 0.32 -0.55 8.40 9.10 2zleM1 ALA 4802 HA -0.01 0.07 0.76 -0.75 4.34 4.41 2zleM1 ALA 4802 HB3 -0.01 0.01 -0.19 -0.04 1.41 1.19 2zleM1 LEU 4803 H -0.02 0.62 0.18 -0.55 8.37 8.61 2zleM1 LEU 4803 HA -0.03 0.26 1.06 -0.75 4.35 4.89 2zleM1 LEU 4803 HB2 -0.08 -0.07 -0.08 -0.04 1.64 1.37 2zleM1 LEU 4803 HB3 -0.09 -0.02 -0.14 -0.04 1.64 1.35 2zleM1 LEU 4803 HG -0.12 -0.06 -0.14 -0.04 1.64 1.29 2zleM1 LEU 4803 HD13 -0.41 0.02 -0.17 -0.04 0.93 0.33 2zleM1 LEU 4803 HD23 -0.04 0.05 -0.16 -0.04 0.89 0.71 2zleM1 ILE 4804 H 0.02 0.60 0.29 -0.55 8.25 8.61 2zleM1 ILE 4804 HA 0.04 0.17 0.88 -0.75 4.18 4.51 2zleM1 ILE 4804 HB 0.04 0.04 -0.07 -0.04 1.89 1.85 2zleM1 ILE 4804 HG12 0.02 0.13 -0.13 -0.04 1.49 1.46 2zleM1 ILE 4804 HG13 0.03 -0.04 -0.33 -0.04 1.21 0.83 2zleM1 ILE 4804 HG23 0.02 -0.03 -0.41 -0.04 0.93 0.46 2zleM1 ILE 4804 HD13 0.02 -0.01 -0.32 -0.04 0.88 0.53 2zleM1 GLN 4805 H 0.06 0.48 0.23 -0.55 8.47 8.69 2zleM1 GLN 4805 HA 0.10 0.34 1.12 -0.75 4.36 5.17 2zleM1 GLN 4805 HB2 0.17 -0.08 -0.15 -0.04 2.15 2.05 2zleM1 GLN 4805 HB3 0.06 -0.02 -0.02 -0.04 2.02 1.99 2zleM1 GLN 4805 HG2 -0.09 0.26 0.02 -0.04 2.40 2.55 2zleM1 GLN 4805 HG3 0.05 -0.17 -0.18 -0.04 2.39 2.05 2zleM1 GLN 4805 HE21 -0.11 -0.08 -0.01 -0.04 6.97 6.72 2zleM1 GLN 4805 HE22 -0.51 0.15 0.06 -0.04 7.69 7.35 2zleM1 ILE 4806 H -0.04 0.70 0.30 -0.55 8.25 8.65 2zleM1 ILE 4806 HA -0.01 0.10 0.54 -0.75 4.18 4.05 2zleM1 ILE 4806 HB -0.19 -0.05 0.11 -0.04 1.89 1.72 2zleM1 ILE 4806 HG12 -0.10 -0.01 -0.13 -0.04 1.49 1.21 2zleM1 ILE 4806 HG13 -0.07 0.03 -0.06 -0.04 1.21 1.07 2zleM1 ILE 4806 HG23 -0.38 -0.00 -0.26 -0.04 0.93 0.25 2zleM1 ILE 4806 HD13 -0.25 -0.03 -0.14 -0.04 0.88 0.41 2zleM1 GLN 4807 H 0.06 0.95 0.42 -0.55 8.47 9.36 2zleM1 GLN 4807 HA 0.02 0.07 0.66 -0.75 4.36 4.35 2zleM1 GLN 4807 HB2 0.07 -0.09 0.15 -0.04 2.15 2.24 2zleM1 GLN 4807 HB3 0.05 -0.01 0.01 -0.04 2.02 2.03 2zleM1 GLN 4807 HG2 0.05 -0.04 -0.23 -0.04 2.40 2.13 2zleM1 GLN 4807 HG3 0.04 -0.01 -0.07 -0.04 2.39 2.31 2zleM1 GLN 4807 HE21 0.02 0.02 -0.01 -0.04 6.97 6.96 2zleM1 GLN 4807 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.66 2zleM1 ASN 4808 H 0.01 0.15 0.15 -0.55 8.53 8.30 2zleM1 ASN 4808 HA 0.04 0.02 0.35 -0.75 4.76 4.41 2zleM1 ASN 4808 HB2 0.16 0.22 0.23 -0.04 2.88 3.45 2zleM1 ASN 4808 HB3 0.10 -0.04 0.16 -0.04 2.79 2.97 2zleM1 ASN 4808 HD21 0.03 -0.01 -0.07 -0.04 7.03 6.94 2zleM1 ASN 4808 HD22 0.06 0.04 -0.10 -0.04 7.74 7.70 2zleM1 PRO 4809 HA -0.29 0.05 0.33 -0.51 4.44 4.01 2zleM1 PRO 4809 HB2 -0.15 -0.02 -0.12 -0.04 2.28 1.96 2zleM1 PRO 4809 HB3 -0.21 -0.02 -0.03 -0.04 2.02 1.71 2zleM1 PRO 4809 HG2 -0.07 -0.02 -0.00 -0.04 2.03 1.90 2zleM1 PRO 4809 HG3 -0.12 0.12 -0.15 -0.04 2.03 1.84 2zleM1 PRO 4809 HD2 -0.03 0.00 0.17 -0.04 3.68 3.77 2zleM1 PRO 4809 HD3 -0.07 0.36 0.03 -0.04 3.65 3.92 2zleM1 LYS 4810 H -0.04 0.29 0.08 -0.55 8.42 8.19 2zleM1 LYS 4810 HA 0.03 0.06 0.62 -0.75 4.32 4.27 2zleM1 LYS 4810 HB2 0.10 0.12 -0.07 -0.04 1.87 1.98 2zleM1 LYS 4810 HB3 0.21 0.01 0.03 -0.04 1.79 2.01 2zleM1 LYS 4810 HG2 0.08 -0.02 -0.08 -0.04 1.46 1.40 2zleM1 LYS 4810 HG3 0.05 -0.04 -0.08 -0.04 1.46 1.34 2zleM1 LYS 4810 HD2 0.04 0.02 0.03 -0.04 1.69 1.74 2zleM1 LYS 4810 HD3 0.04 0.02 -0.01 -0.04 1.68 1.69 2zleM1 LYS 4810 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.95 2zleM1 LYS 4810 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.94 2zleM1 ASN 4811 H 0.01 0.12 0.08 -0.55 8.53 8.19 2zleM1 ASN 4811 HA -0.00 -0.01 0.37 -0.75 4.76 4.37 2zleM1 ASN 4811 HB2 0.04 0.09 -0.01 -0.04 2.88 2.96 2zleM1 ASN 4811 HB3 0.02 0.01 0.10 -0.04 2.79 2.88 2zleM1 ASN 4811 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2zleM1 ASN 4811 HD22 0.01 0.02 0.06 -0.04 7.74 7.78 2zleM1 LEU 4812 H -0.04 0.08 -0.02 -0.55 8.37 7.85 2zleM1 LEU 4812 HA -0.04 0.23 0.84 -0.75 4.35 4.63 2zleM1 LEU 4812 HB2 -0.09 0.05 -0.00 -0.04 1.64 1.56 2zleM1 LEU 4812 HB3 -0.07 -0.08 -0.15 -0.04 1.64 1.30 2zleM1 LEU 4812 HG -0.13 0.02 -0.02 -0.04 1.64 1.47 2zleM1 LEU 4812 HD13 -0.25 0.01 -0.15 -0.04 0.93 0.51 2zleM1 LEU 4812 HD23 -0.20 -0.01 -0.07 -0.04 0.89 0.57 2zleM1 THR 4813 H -0.03 0.31 0.14 -0.55 8.28 8.15 2zleM1 THR 4813 HA -0.01 0.15 1.01 -0.75 4.39 4.78 2zleM1 THR 4813 HB -0.00 0.05 -0.15 -0.04 4.32 4.17 2zleM1 THR 4813 HG23 -0.00 0.02 -0.16 -0.04 1.22 1.04 2zleM1 ALA 4814 H -0.01 0.15 0.09 -0.55 8.40 8.08 2zleM1 ALA 4814 HA -0.01 0.26 0.87 -0.75 4.34 4.71 2zleM1 ALA 4814 HB3 -0.00 -0.02 -0.20 -0.04 1.41 1.14 2zleM1 ILE 4815 H 0.00 0.50 0.26 -0.55 8.25 8.46 2zleM1 ILE 4815 HA 0.00 0.14 0.59 -0.75 4.18 4.16 2zleM1 ILE 4815 HB 0.01 0.01 0.12 -0.04 1.89 1.99 2zleM1 ILE 4815 HG12 0.01 0.02 0.16 -0.04 1.49 1.64 2zleM1 ILE 4815 HG13 0.01 0.10 0.22 -0.04 1.21 1.49 2zleM1 ILE 4815 HG23 0.01 0.01 -0.13 -0.04 0.93 0.77 2zleM1 ILE 4815 HD13 0.01 -0.01 -0.06 -0.04 0.88 0.77 2zleM1 LYS 4816 H 0.00 0.21 0.23 -0.55 8.42 8.30 2zleM1 LYS 4816 HA 0.00 0.16 0.83 -0.75 4.32 4.56 2zleM1 LYS 4816 HB2 0.00 0.06 0.08 -0.04 1.87 1.97 2zleM1 LYS 4816 HB3 0.00 -0.02 0.11 -0.04 1.79 1.85 2zleM1 LYS 4816 HG2 0.00 0.05 -0.28 -0.04 1.46 1.20 2zleM1 LYS 4816 HG3 0.00 0.01 0.05 -0.04 1.46 1.48 2zleM1 LYS 4816 HD2 0.00 0.03 -0.02 -0.04 1.69 1.66 2zleM1 LYS 4816 HD3 0.00 -0.05 -0.09 -0.04 1.68 1.50 2zleM1 LYS 4816 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 2zleM1 LYS 4816 HE3 0.00 -0.02 -0.03 -0.04 2.99 2.89 2zleM1 MET 4817 H 0.00 0.19 0.14 -0.55 8.47 8.26 2zleM1 MET 4817 HA 0.00 0.04 0.90 -0.75 4.52 4.71 2zleM1 MET 4817 HB2 -0.00 -0.00 0.14 -0.04 2.15 2.25 2zleM1 MET 4817 HB3 -0.00 0.06 -0.03 -0.04 2.03 2.02 2zleM1 MET 4817 HG2 0.00 -0.02 0.00 -0.04 2.63 2.57 2zleM1 MET 4817 HG3 0.00 0.04 -0.11 -0.04 2.56 2.44 2zleM1 MET 4817 HE3 0.00 0.02 0.01 -0.04 2.10 2.09 2zleM1 ALA 4818 H 0.00 0.57 0.17 -0.55 8.40 8.60 2zleM1 ALA 4818 HA 0.00 0.16 0.64 -0.75 4.34 4.39 2zleM1 ALA 4818 HB3 0.00 -0.01 -0.08 -0.04 1.41 1.28 2zleM1 ASP 4819 H -0.00 0.17 0.08 -0.55 8.40 8.10 2zleM1 ASP 4819 HA -0.00 0.12 0.70 -0.75 4.63 4.68 2zleM1 ASP 4819 HB2 -0.00 0.10 0.08 -0.04 2.71 2.84 2zleM1 ASP 4819 HB3 -0.00 0.02 0.19 -0.04 2.70 2.87 2zleM1 SER 4820 H -0.01 0.21 0.19 -0.55 8.46 8.30 2zleM1 SER 4820 HA -0.01 0.11 0.35 -0.75 4.49 4.18 2zleM1 SER 4820 HB2 -0.01 0.01 0.13 -0.04 3.95 4.03 2zleM1 SER 4820 HB3 -0.01 0.15 0.08 -0.04 3.93 4.10 2zleM1 ASP 4821 H -0.01 0.03 -0.31 -0.55 8.40 7.57 2zleM1 ASP 4821 HA -0.01 0.09 0.38 -0.75 4.63 4.34 2zleM1 ASP 4821 HB2 -0.01 -0.02 0.01 -0.04 2.71 2.65 2zleM1 ASP 4821 HB3 -0.01 0.07 0.06 -0.04 2.70 2.78 2zleM1 ALA 4822 H -0.01 0.53 -0.35 -0.55 8.40 8.03 2zleM1 ALA 4822 HA -0.01 0.19 0.74 -0.75 4.34 4.52 2zleM1 ALA 4822 HB3 -0.00 -0.02 0.10 -0.04 1.41 1.45 2zleM1 LEU 4823 H -0.01 0.44 -0.25 -0.55 8.37 8.00 2zleM1 LEU 4823 HA -0.01 0.01 0.51 -0.75 4.35 4.10 2zleM1 LEU 4823 HB2 -0.01 0.11 0.11 -0.04 1.64 1.81 2zleM1 LEU 4823 HB3 -0.02 -0.03 -0.06 -0.04 1.64 1.49 2zleM1 LEU 4823 HG -0.01 0.01 0.04 -0.04 1.64 1.65 2zleM1 LEU 4823 HD13 -0.00 -0.02 -0.01 -0.04 0.93 0.85 2zleM1 LEU 4823 HD23 -0.00 -0.01 -0.06 -0.04 0.89 0.78 2zleM1 ARG 4824 H -0.03 0.20 0.23 -0.55 8.46 8.31 2zleM1 ARG 4824 HA -0.03 0.18 0.75 -0.75 4.34 4.49 2zleM1 ARG 4824 HB2 -0.03 -0.04 0.04 -0.04 1.90 1.83 2zleM1 ARG 4824 HB3 -0.03 -0.07 0.04 -0.04 1.80 1.70 2zleM1 ARG 4824 HG2 -0.02 0.12 -0.06 -0.04 1.67 1.67 2zleM1 ARG 4824 HG3 -0.02 0.13 -0.38 -0.04 1.67 1.37 2zleM1 ARG 4824 HD2 -0.02 -0.04 -0.00 -0.04 3.22 3.11 2zleM1 ARG 4824 HD3 -0.02 0.04 -0.04 -0.04 3.22 3.17 2zleM1 VAL 4825 H -0.03 0.17 0.10 -0.55 8.24 7.93 2zleM1 VAL 4825 HA -0.05 0.12 0.29 -0.75 4.13 3.73 2zleM1 VAL 4825 HB -0.04 -0.06 0.13 -0.04 2.12 2.11 2zleM1 VAL 4825 HG13 -0.04 0.06 -0.10 -0.04 0.97 0.85 2zleM1 VAL 4825 HG23 -0.03 -0.01 -0.11 -0.04 0.95 0.75 2zleM1 GLY 4826 H -0.07 0.05 -0.07 -0.55 8.43 7.79 2zleM1 GLY 4826 HA2 -0.13 0.15 0.48 -0.51 4.01 4.00 2zleM1 GLY 4826 HA3 -0.13 -0.03 0.34 -0.51 4.01 3.69 2zleM1 ASP 4827 H -0.10 0.41 -0.50 -0.55 8.40 7.67 2zleM1 ASP 4827 HA -0.19 -0.01 0.43 -0.75 4.63 4.11 2zleM1 ASP 4827 HB2 -0.05 0.16 0.20 -0.04 2.71 2.97 2zleM1 ASP 4827 HB3 -0.03 -0.01 0.06 -0.04 2.70 2.68 2zleM1 TYR 4828 H -0.04 0.05 0.24 -0.55 8.29 7.98 2zleM1 TYR 4828 HA -0.00 0.23 0.83 -0.75 4.56 4.86 2zleM1 TYR 4828 HB2 0.00 -0.12 0.20 -0.04 3.06 3.10 2zleM1 TYR 4828 HB3 0.00 0.03 0.07 -0.04 2.98 3.04 2zleM1 TYR 4828 HD2 0.00 0.11 0.12 -0.04 7.15 7.34 2zleM1 TYR 4828 HE2 0.00 -0.02 0.00 -0.04 6.85 6.79 2zleM1 THR 4829 H 0.18 0.73 0.23 -0.55 8.28 8.87 2zleM1 THR 4829 HA 0.06 0.23 0.90 -0.75 4.39 4.82 2zleM1 THR 4829 HB 0.04 -0.08 -0.39 -0.04 4.32 3.85 2zleM1 THR 4829 HG23 0.03 -0.04 -0.40 -0.04 1.22 0.78 2zleM1 VAL 4830 H 0.04 0.54 0.26 -0.55 8.24 8.53 2zleM1 VAL 4830 HA 0.03 0.18 0.97 -0.75 4.13 4.55 2zleM1 VAL 4830 HB 0.02 -0.04 -0.10 -0.04 2.12 1.96 2zleM1 VAL 4830 HG13 0.02 0.03 -0.07 -0.04 0.97 0.91 2zleM1 VAL 4830 HG23 0.01 0.01 -0.16 -0.04 0.95 0.78 2zleM1 ALA 4831 H 0.02 0.65 0.33 -0.55 8.40 8.86 2zleM1 ALA 4831 HA 0.02 0.32 1.13 -0.75 4.34 5.05 2zleM1 ALA 4831 HB3 0.02 -0.03 -0.02 -0.04 1.41 1.34 2zleM1 ILE 4832 H 0.02 0.61 0.32 -0.55 8.25 8.65 2zleM1 ILE 4832 HA 0.02 0.31 1.06 -0.75 4.18 4.81 2zleM1 ILE 4832 HB 0.02 -0.09 0.11 -0.04 1.89 1.88 2zleM1 ILE 4832 HG12 0.02 0.05 -0.25 -0.04 1.49 1.27 2zleM1 ILE 4832 HG13 0.02 -0.06 -0.48 -0.04 1.21 0.65 2zleM1 ILE 4832 HG23 0.02 0.02 -0.15 -0.04 0.93 0.77 2zleM1 ILE 4832 HD13 0.01 -0.00 -0.14 -0.04 0.88 0.71 2zleM1 GLY 4833 H 0.01 0.72 0.33 -0.55 8.43 8.95 2zleM1 GLY 4833 HA2 0.01 0.08 0.61 -0.51 4.01 4.19 2zleM1 GLY 4833 HA3 -0.00 -0.07 0.36 -0.51 4.01 3.78 2zleM1 ASN 4834 H -0.01 0.15 0.01 -0.55 8.53 8.14 2zleM1 ASN 4834 HA 0.01 0.43 1.03 -0.75 4.76 5.47 2zleM1 ASN 4834 HB2 0.01 0.03 -0.10 -0.04 2.88 2.78 2zleM1 ASN 4834 HB3 0.01 -0.03 0.05 -0.04 2.79 2.77 2zleM1 ASN 4834 HD21 0.04 0.17 0.07 -0.04 7.03 7.27 2zleM1 ASN 4834 HD22 0.03 0.02 -0.03 -0.04 7.74 7.71 2zleM1 PRO 4835 HA -0.34 0.09 0.34 -0.51 4.44 4.02 2zleM1 PRO 4835 HB2 -0.28 -0.04 0.01 -0.04 2.28 1.93 2zleM1 PRO 4835 HB3 -0.73 0.02 -0.05 -0.04 2.02 1.22 2zleM1 PRO 4835 HG2 0.00 0.06 -0.07 -0.04 2.03 1.98 2zleM1 PRO 4835 HG3 -0.10 0.03 -0.10 -0.04 2.03 1.81 2zleM1 PRO 4835 HD2 0.01 0.14 0.01 -0.04 3.68 3.80 2zleM1 PRO 4835 HD3 -0.02 0.21 -0.72 -0.04 3.65 3.08 2zleM1 PHE 4836 H 0.06 0.07 -0.13 -0.55 8.34 7.79 2zleM1 PHE 4836 HA 0.03 0.31 0.96 -0.75 4.62 5.17 2zleM1 PHE 4836 HB2 0.02 -0.07 0.05 -0.04 3.15 3.10 2zleM1 PHE 4836 HB3 0.02 0.08 0.16 -0.04 3.06 3.28 2zleM1 PHE 4836 HD2 0.02 0.03 -0.07 -0.04 7.28 7.22 2zleM1 PHE 4836 HE2 0.01 0.05 -0.17 -0.04 7.38 7.24 2zleM1 PHE 4836 HZ 0.01 0.05 -0.14 -0.04 7.32 7.20 2zleM1 GLY 4837 H 0.05 0.26 -0.29 -0.55 8.43 7.90 2zleM1 GLY 4837 HA2 0.05 0.08 0.34 -0.51 4.01 3.97 2zleM1 GLY 4837 HA3 0.08 0.22 0.64 -0.51 4.01 4.44 2zleM1 LEU 4838 H 0.14 0.15 -0.74 -0.55 8.37 7.38 2zleM1 LEU 4838 HA 0.06 0.10 0.22 -0.75 4.35 3.97 2zleM1 LEU 4838 HB2 0.10 -0.03 -0.10 -0.04 1.64 1.56 2zleM1 LEU 4838 HB3 0.05 0.03 0.10 -0.04 1.64 1.77 2zleM1 LEU 4838 HG 0.17 -0.04 -0.09 -0.04 1.64 1.63 2zleM1 LEU 4838 HD13 0.02 -0.00 -0.04 -0.04 0.93 0.86 2zleM1 LEU 4838 HD23 0.04 0.02 -0.01 -0.04 0.89 0.89 2zleM1 GLY 4839 H 0.06 0.04 -0.92 -0.55 8.43 7.06 2zleM1 GLY 4839 HA2 0.04 0.08 0.21 -0.51 4.01 3.82 2zleM1 GLY 4839 HA3 0.04 0.21 0.93 -0.51 4.01 4.68 2zleM1 GLU 4840 H 0.03 0.19 0.08 -0.55 8.60 8.36 2zleM1 GLU 4840 HA 0.02 0.29 0.97 -0.75 4.29 4.82 2zleM1 GLU 4840 HB2 0.02 -0.01 0.15 -0.04 2.09 2.21 2zleM1 GLU 4840 HB3 0.02 -0.01 -0.07 -0.04 1.99 1.89 2zleM1 GLU 4840 HG2 0.02 -0.04 -0.14 -0.04 2.34 2.14 2zleM1 GLU 4840 HG3 0.02 0.07 -0.13 -0.04 2.34 2.26 2zleM1 THR 4841 H 0.03 0.68 0.35 -0.55 8.28 8.78 2zleM1 THR 4841 HA 0.04 0.11 0.68 -0.75 4.39 4.47 2zleM1 THR 4841 HB 0.03 -0.06 -0.01 -0.04 4.32 4.24 2zleM1 THR 4841 HG23 0.07 0.02 -0.09 -0.04 1.22 1.18 2zleM1 VAL 4842 H 0.03 0.19 0.22 -0.55 8.24 8.13 2zleM1 VAL 4842 HA 0.02 0.35 1.25 -0.75 4.13 5.00 2zleM1 VAL 4842 HB 0.02 0.02 0.05 -0.04 2.12 2.17 2zleM1 VAL 4842 HG13 0.02 -0.00 -0.01 -0.04 0.97 0.94 2zleM1 VAL 4842 HG23 0.01 -0.02 -0.18 -0.04 0.95 0.72 2zleM1 THR 4843 H 0.02 0.67 0.36 -0.55 8.28 8.78 2zleM1 THR 4843 HA 0.02 0.11 0.82 -0.75 4.39 4.58 2zleM1 THR 4843 HB 0.03 -0.01 -0.24 -0.04 4.32 4.06 2zleM1 THR 4843 HG23 0.02 0.07 -0.19 -0.04 1.22 1.07 2zleM1 SER 4844 H 0.02 0.16 0.20 -0.55 8.46 8.29 2zleM1 SER 4844 HA 0.03 0.23 1.29 -0.75 4.49 5.28 2zleM1 SER 4844 HB2 0.01 0.06 0.20 -0.04 3.95 4.18 2zleM1 SER 4844 HB3 0.00 -0.06 -0.01 -0.04 3.93 3.82 2zleM1 GLY 4845 H 0.07 0.57 0.36 -0.55 8.43 8.89 2zleM1 GLY 4845 HA2 0.08 0.07 0.36 -0.51 4.01 4.01 2zleM1 GLY 4845 HA3 0.05 -0.03 0.42 -0.51 4.01 3.95 2zleM1 ILE 4846 H 0.04 0.09 0.19 -0.55 8.25 8.02 2zleM1 ILE 4846 HA 0.04 0.12 0.97 -0.75 4.18 4.56 2zleM1 ILE 4846 HB -0.11 0.24 -0.03 -0.04 1.89 1.96 2zleM1 ILE 4846 HG12 0.01 -0.15 -0.06 -0.04 1.49 1.25 2zleM1 ILE 4846 HG13 -0.02 -0.07 -0.57 -0.04 1.21 0.51 2zleM1 ILE 4846 HG23 -0.06 -0.04 -0.24 -0.04 0.93 0.56 2zleM1 ILE 4846 HD13 -0.04 0.04 -0.12 -0.04 0.88 0.72 2zleM1 VAL 4847 H -0.06 0.75 0.19 -0.55 8.24 8.57 2zleM1 VAL 4847 HA -0.03 -0.01 0.53 -0.75 4.13 3.86 2zleM1 VAL 4847 HB -0.05 0.16 0.22 -0.04 2.12 2.41 2zleM1 VAL 4847 HG13 -0.04 -0.05 -0.36 -0.04 0.97 0.49 2zleM1 VAL 4847 HG23 -0.02 -0.01 -0.12 -0.04 0.95 0.76 2zleM1 SER 4848 H -0.05 0.58 0.50 -0.55 8.46 8.94 2zleM1 SER 4848 HA -0.04 0.17 0.51 -0.75 4.49 4.37 2zleM1 SER 4848 HB2 -0.08 -0.04 -0.36 -0.04 3.95 3.43 2zleM1 SER 4848 HB3 -0.06 -0.00 -0.17 -0.04 3.93 3.66 2zleM1 ALA 4849 H -0.07 0.39 0.14 -0.55 8.40 8.32 2zleM1 ALA 4849 HA -0.04 0.12 0.61 -0.75 4.34 4.27 2zleM1 ALA 4849 HB3 -0.08 0.03 -0.06 -0.04 1.41 1.26 2zleM1 LEU 4850 H -0.02 0.22 -0.06 -0.55 8.37 7.96 2zleM1 LEU 4850 HA -0.02 0.18 0.84 -0.75 4.35 4.60 2zleM1 LEU 4850 HB2 -0.02 -0.06 -0.01 -0.04 1.64 1.51 2zleM1 LEU 4850 HB3 -0.01 0.03 0.14 -0.04 1.64 1.76 2zleM1 LEU 4850 HG -0.01 0.05 -0.05 -0.04 1.64 1.58 2zleM1 LEU 4850 HD13 -0.02 0.01 -0.11 -0.04 0.93 0.77 2zleM1 LEU 4850 HD23 -0.02 -0.03 -0.40 -0.04 0.89 0.39 2zleM1 GLY 4851 H -0.01 0.17 -0.37 -0.55 8.43 7.68 2zleM1 GLY 4851 HA2 0.04 -0.01 0.26 -0.51 4.01 3.79 2zleM1 GLY 4851 HA3 0.05 0.02 0.19 -0.51 4.01 3.77 2zleM1 ARG 4852 H 0.02 -0.08 0.00 -0.55 8.46 7.84 2zleM1 ARG 4852 HA 0.00 -0.02 0.25 -0.75 4.34 3.81 2zleM1 ARG 4852 HB2 0.00 0.17 -0.37 -0.04 1.90 1.66 2zleM1 ARG 4852 HB3 0.00 0.04 0.20 -0.04 1.80 2.01 2zleM1 ARG 4852 HG2 -0.00 -0.04 0.03 -0.04 1.67 1.62 2zleM1 ARG 4852 HG3 -0.00 -0.04 0.08 -0.04 1.67 1.67 2zleM1 ARG 4852 HD2 -0.00 -0.04 0.05 -0.04 3.22 3.19 2zleM1 ARG 4852 HD3 -0.00 0.04 0.06 -0.04 3.22 3.28 2zleM1 GLU 4853 HA -0.02 -0.06 0.28 -0.75 4.29 3.73 2zleM1 GLU 4853 HB2 -0.16 -0.04 -0.11 -0.04 2.09 1.74 2zleM1 GLU 4853 HB3 -0.05 0.05 0.03 -0.04 1.99 1.97 2zleM1 GLU 4853 HG2 0.07 -0.07 -0.02 -0.04 2.34 2.28 2zleM1 GLU 4853 HG3 -0.16 0.02 -0.06 -0.04 2.34 2.09 2zleM1 ASN 4854 H -0.04 0.09 0.04 -0.55 8.53 8.08 2zleM1 ASN 4854 HA 0.03 0.02 0.25 -0.75 4.76 4.30 2zleM1 ASN 4854 HB2 -0.01 -0.00 0.11 -0.04 2.88 2.94 2zleM1 ASN 4854 HB3 -0.04 -0.05 0.14 -0.04 2.79 2.80 2zleM1 ASN 4854 HD21 -0.01 0.03 -0.04 -0.04 7.03 6.97 2zleM1 ASN 4854 HD22 -0.02 -0.09 0.00 -0.04 7.74 7.60 2zleM1 PHE 4855 H 0.19 0.84 0.19 -0.55 8.34 9.01 2zleM1 PHE 4855 HA 0.04 0.08 0.45 -0.75 4.62 4.44 2zleM1 PHE 4855 HB2 0.10 0.06 0.10 -0.04 3.15 3.36 2zleM1 PHE 4855 HB3 0.11 -0.03 -0.14 -0.04 3.06 2.96 2zleM1 PHE 4855 HD2 0.12 0.06 -0.16 -0.04 7.28 7.26 2zleM1 PHE 4855 HE2 0.07 0.01 -0.13 -0.04 7.38 7.29 2zleM1 PHE 4855 HZ 0.04 0.07 -0.07 -0.04 7.32 7.31 2zleM1 ILE 4856 H 0.14 0.75 0.35 -0.55 8.25 8.94 2zleM1 ILE 4856 HA 0.00 0.15 0.81 -0.75 4.18 4.39 2zleM1 ILE 4856 HB 0.03 -0.12 -0.00 -0.04 1.89 1.76 2zleM1 ILE 4856 HG12 0.00 0.04 -0.05 -0.04 1.49 1.44 2zleM1 ILE 4856 HG13 0.02 0.07 -0.07 -0.04 1.21 1.19 2zleM1 ILE 4856 HG23 -0.02 -0.01 -0.23 -0.04 0.93 0.63 2zleM1 ILE 4856 HD13 0.00 -0.03 -0.11 -0.04 0.88 0.70 2zleM1 GLN 4857 H -0.10 0.61 0.35 -0.55 8.47 8.79 2zleM1 GLN 4857 HA -0.41 0.46 1.02 -0.75 4.36 4.68 2zleM1 GLN 4857 HB2 -0.21 0.06 0.11 -0.04 2.15 2.07 2zleM1 GLN 4857 HB3 -0.19 -0.13 0.00 -0.04 2.02 1.66 2zleM1 GLN 4857 HG2 -0.49 -0.04 -0.08 -0.04 2.40 1.75 2zleM1 GLN 4857 HG3 -1.13 0.04 -0.12 -0.04 2.39 1.14 2zleM1 GLN 4857 HE21 -0.06 0.03 -0.10 -0.04 6.97 6.80 2zleM1 GLN 4857 HE22 -0.13 -0.03 -0.12 -0.04 7.69 7.37 2zleM1 THR 4858 H -0.14 0.67 0.32 -0.55 8.28 8.59 2zleM1 THR 4858 HA -0.05 0.10 0.91 -0.75 4.39 4.60 2zleM1 THR 4858 HB -0.02 0.04 -0.29 -0.04 4.32 4.00 2zleM1 THR 4858 HG23 0.00 0.02 -0.27 -0.04 1.22 0.93 2zleM1 ASP 4859 H -0.01 0.36 0.21 -0.55 8.40 8.41 2zleM1 ASP 4859 HA 0.00 0.13 0.76 -0.75 4.63 4.76 2zleM1 ASP 4859 HB2 0.01 0.05 0.20 -0.04 2.71 2.93 2zleM1 ASP 4859 HB3 0.00 0.03 0.08 -0.04 2.70 2.77 2zleM1 ALA 4860 H 0.01 0.04 -0.47 -0.55 8.40 7.43 2zleM1 ALA 4860 HA 0.03 0.26 0.49 -0.75 4.34 4.37 2zleM1 ALA 4860 HB3 0.03 -0.01 -0.28 -0.04 1.41 1.11 2zleM1 ALA 4861 H 0.03 0.36 -0.30 -0.55 8.40 7.94 2zleM1 ALA 4861 HA 0.03 0.16 0.61 -0.75 4.34 4.38 2zleM1 ALA 4861 HB3 0.04 0.00 -0.17 -0.04 1.41 1.24 2zleM1 ILE 4862 H 0.02 0.18 -0.09 -0.55 8.25 7.82 2zleM1 ILE 4862 HA 0.05 0.09 0.38 -0.75 4.18 3.94 2zleM1 ILE 4862 HB -0.05 -0.06 -0.18 -0.04 1.89 1.55 2zleM1 ILE 4862 HG12 -0.06 0.02 -0.27 -0.04 1.49 1.13 2zleM1 ILE 4862 HG13 -0.00 0.33 -1.03 -0.04 1.21 0.46 2zleM1 ILE 4862 HG23 0.07 0.04 0.00 -0.04 0.93 1.00 2zleM1 ILE 4862 HD13 -0.03 -0.04 -0.32 -0.04 0.88 0.45 2zleM1 ASN 4863 H 0.08 0.18 0.06 -0.55 8.53 8.30 2zleM1 ASN 4863 HA 0.05 0.02 0.47 -0.75 4.76 4.54 2zleM1 ASN 4863 HB2 0.05 0.02 0.10 -0.04 2.88 3.01 2zleM1 ASN 4863 HB3 0.08 0.00 0.16 -0.04 2.79 3.00 2zleM1 ASN 4863 HD21 0.03 0.02 -0.04 -0.04 7.03 7.00 2zleM1 ASN 4863 HD22 0.04 -0.01 0.00 -0.04 7.74 7.73 2zleM1 ARG 4864 H 0.05 0.14 0.23 -0.55 8.46 8.32 2zleM1 ARG 4864 HA 0.05 0.04 0.35 -0.75 4.34 4.02 2zleM1 ARG 4864 HB2 0.18 0.25 0.18 -0.04 1.90 2.47 2zleM1 ARG 4864 HB3 0.12 0.01 0.17 -0.04 1.80 2.06 2zleM1 ARG 4864 HG2 0.05 0.02 -0.01 -0.04 1.67 1.69 2zleM1 ARG 4864 HG3 0.06 -0.13 -0.36 -0.04 1.67 1.20 2zleM1 ARG 4864 HD2 0.04 -0.03 -0.08 -0.04 3.22 3.12 2zleM1 ARG 4864 HD3 0.07 0.03 -0.03 -0.04 3.22 3.25 2zleM1 GLY 4865 H 0.00 0.19 -0.53 -0.55 8.43 7.55 2zleM1 GLY 4865 HA2 -0.28 0.23 0.56 -0.51 4.01 4.01 2zleM1 GLY 4865 HA3 -0.40 -0.05 0.12 -0.51 4.01 3.17 2zleM1 ASN 4866 H -0.23 0.46 0.20 -0.55 8.53 8.41 2zleM1 ASN 4866 HA -0.05 -0.03 0.58 -0.75 4.76 4.50 2zleM1 ASN 4866 HB2 -0.04 0.07 0.08 -0.04 2.88 2.94 2zleM1 ASN 4866 HB3 0.03 0.00 -0.03 -0.04 2.79 2.76 2zleM1 ASN 4866 HD21 0.02 0.01 0.04 -0.04 7.03 7.06 2zleM1 ASN 4866 HD22 0.00 0.02 0.05 -0.04 7.74 7.77 2zleM1 SER 4867 H -0.03 -0.16 0.13 -0.55 8.46 7.86 2zleM1 SER 4867 HA 0.02 -0.07 0.22 -0.75 4.49 3.90 2zleM1 GLY 4868 H 0.01 0.00 0.06 -0.55 8.43 7.95 2zleM1 GLY 4868 HA2 0.01 0.01 0.26 -0.51 4.01 3.78 2zleM1 GLY 4868 HA3 0.01 -0.10 0.35 -0.51 4.01 3.76 2zleM1 GLY 4869 H 0.02 0.22 0.13 -0.55 8.43 8.25 2zleM1 GLY 4869 HA2 0.04 0.36 0.99 -0.51 4.01 4.88 2zleM1 GLY 4869 HA3 0.02 0.00 0.34 -0.51 4.01 3.86 2zleM1 ALA 4870 H 0.02 0.31 0.27 -0.55 8.40 8.45 2zleM1 ALA 4870 HA 0.02 0.15 0.72 -0.75 4.34 4.48 2zleM1 ALA 4870 HB3 0.02 0.02 0.05 -0.04 1.41 1.45 2zleM1 LEU 4871 H 0.02 0.59 0.43 -0.55 8.37 8.86 2zleM1 LEU 4871 HA 0.02 0.21 0.82 -0.75 4.35 4.65 2zleM1 LEU 4871 HB2 0.03 0.02 -0.18 -0.04 1.64 1.48 2zleM1 LEU 4871 HB3 0.02 -0.17 0.02 -0.04 1.64 1.47 2zleM1 LEU 4871 HG 0.03 0.00 -0.26 -0.04 1.64 1.37 2zleM1 LEU 4871 HD13 0.02 -0.02 -0.29 -0.04 0.93 0.60 2zleM1 LEU 4871 HD23 0.03 0.01 -0.20 -0.04 0.89 0.68 2zleM1 VAL 4872 H 0.02 0.79 0.33 -0.55 8.24 8.83 2zleM1 VAL 4872 HA 0.02 0.17 1.01 -0.75 4.13 4.57 2zleM1 VAL 4872 HB 0.02 0.07 -0.05 -0.04 2.12 2.11 2zleM1 VAL 4872 HG13 0.02 -0.05 -0.19 -0.04 0.97 0.71 2zleM1 VAL 4872 HG23 0.01 0.00 -0.43 -0.04 0.95 0.49 2zleM1 ASN 4873 H 0.02 0.44 0.23 -0.55 8.53 8.67 2zleM1 ASN 4873 HA 0.04 0.33 0.83 -0.75 4.76 5.21 2zleM1 ASN 4873 HB2 0.03 -0.02 0.21 -0.04 2.88 3.06 2zleM1 ASN 4873 HB3 0.02 0.06 0.08 -0.04 2.79 2.91 2zleM1 ASN 4873 HD21 0.01 0.02 -0.06 -0.04 7.03 6.96 2zleM1 ASN 4873 HD22 0.01 0.06 -0.06 -0.04 7.74 7.71 2zleM1 LEU 4874 H 0.06 0.23 0.14 -0.55 8.37 8.25 2zleM1 LEU 4874 HA 0.02 0.12 0.29 -0.75 4.35 4.03 2zleM1 LEU 4874 HB2 0.08 -0.02 0.16 -0.04 1.64 1.82 2zleM1 LEU 4874 HB3 0.04 0.05 0.03 -0.04 1.64 1.71 2zleM1 LEU 4874 HG -0.01 0.03 0.07 -0.04 1.64 1.68 2zleM1 LEU 4874 HD13 0.00 0.01 -0.09 -0.04 0.93 0.81 2zleM1 LEU 4874 HD23 0.06 0.00 0.05 -0.04 0.89 0.95 2zleM1 ASN 4875 H 0.02 -0.06 -0.58 -0.55 8.53 7.37 2zleM1 ASN 4875 HA 0.01 0.28 0.89 -0.75 4.76 5.19 2zleM1 ASN 4875 HB2 0.01 -0.10 0.00 -0.04 2.88 2.75 2zleM1 ASN 4875 HB3 0.01 0.05 0.06 -0.04 2.79 2.87 2zleM1 ASN 4875 HD21 0.01 0.03 -0.02 -0.04 7.03 7.01 2zleM1 ASN 4875 HD22 0.01 -0.03 -0.02 -0.04 7.74 7.66 2zleM1 GLY 4876 H 0.01 0.54 -0.21 -0.55 8.43 8.24 2zleM1 GLY 4876 HA2 0.01 0.03 0.20 -0.51 4.01 3.74 2zleM1 GLY 4876 HA3 0.01 0.16 0.41 -0.51 4.01 4.08 2zleM1 GLU 4877 H 0.01 -0.12 -0.27 -0.55 8.60 7.68 2zleM1 GLU 4877 HA 0.01 0.34 0.88 -0.75 4.29 4.76 2zleM1 GLU 4877 HB2 0.01 -0.15 -0.07 -0.04 2.09 1.84 2zleM1 GLU 4877 HB3 0.01 0.06 -0.18 -0.04 1.99 1.83 2zleM1 GLU 4877 HG2 0.01 0.13 -0.23 -0.04 2.34 2.21 2zleM1 GLU 4877 HG3 0.01 -0.09 -0.29 -0.04 2.34 1.92 2zleM1 LEU 4878 H 0.01 0.71 0.37 -0.55 8.37 8.91 2zleM1 LEU 4878 HA 0.01 0.15 0.63 -0.75 4.35 4.39 2zleM1 LEU 4878 HB2 0.01 0.08 0.07 -0.04 1.64 1.76 2zleM1 LEU 4878 HB3 0.00 -0.06 0.18 -0.04 1.64 1.72 2zleM1 LEU 4878 HG 0.01 -0.11 -0.22 -0.04 1.64 1.28 2zleM1 LEU 4878 HD13 0.01 0.06 0.02 -0.04 0.93 0.99 2zleM1 LEU 4878 HD23 0.00 0.01 -0.11 -0.04 0.89 0.75 2zleM1 ILE 4879 H 0.01 0.75 0.50 -0.55 8.25 8.96 2zleM1 ILE 4879 HA 0.00 0.12 0.98 -0.75 4.18 4.53 2zleM1 ILE 4879 HB 0.01 -0.04 0.02 -0.04 1.89 1.84 2zleM1 ILE 4879 HG12 0.02 0.18 -0.37 -0.04 1.49 1.28 2zleM1 ILE 4879 HG13 0.01 -0.01 -0.36 -0.04 1.21 0.81 2zleM1 ILE 4879 HG23 0.01 0.03 -0.18 -0.04 0.93 0.75 2zleM1 ILE 4879 HD13 0.02 -0.02 -0.28 -0.04 0.88 0.56 2zleM1 GLY 4880 H 0.01 0.44 0.33 -0.55 8.43 8.66 2zleM1 GLY 4880 HA2 0.01 0.10 0.45 -0.51 4.01 4.07 2zleM1 GLY 4880 HA3 0.02 0.04 0.25 -0.51 4.01 3.81 2zleM1 ILE 4881 H 0.03 0.41 0.18 -0.55 8.25 8.31 2zleM1 ILE 4881 HA 0.03 0.20 0.97 -0.75 4.18 4.62 2zleM1 ILE 4881 HB 0.02 -0.09 0.08 -0.04 1.89 1.86 2zleM1 ILE 4881 HG12 0.01 -0.02 -0.14 -0.04 1.49 1.30 2zleM1 ILE 4881 HG13 0.02 0.04 -0.14 -0.04 1.21 1.10 2zleM1 ILE 4881 HG23 0.04 0.01 -0.24 -0.04 0.93 0.70 2zleM1 ILE 4881 HD13 0.01 0.01 -0.22 -0.04 0.88 0.63 2zleM1 ASN 4882 H 0.05 1.08 0.20 -0.55 8.53 9.32 2zleM1 ASN 4882 HA 0.11 -0.01 0.40 -0.75 4.76 4.50 2zleM1 ASN 4882 HB2 0.06 -0.04 -0.37 -0.04 2.88 2.48 2zleM1 ASN 4882 HB3 0.08 -0.03 -0.23 -0.04 2.79 2.56 2zleM1 ASN 4882 HD21 0.04 -0.02 -0.29 -0.04 7.03 6.73 2zleM1 ASN 4882 HD22 0.08 -0.01 -0.34 -0.04 7.74 7.43 2zleM1 THR 4883 H 0.16 0.59 0.37 -0.55 8.28 8.86 2zleM1 THR 4883 HA 0.17 0.27 1.00 -0.75 4.39 5.08 2zleM1 THR 4883 HB 0.19 0.09 -0.04 -0.04 4.32 4.52 2zleM1 THR 4883 HG23 0.35 0.04 -0.09 -0.04 1.22 1.48 2zleM1 ALA 4884 H 0.06 0.25 0.18 -0.55 8.40 8.34 2zleM1 ALA 4884 HA -0.10 0.15 0.98 -0.75 4.34 4.62 2zleM1 ALA 4884 HB3 -0.35 0.01 0.14 -0.04 1.41 1.17 2zleM1 ILE 4885 H -0.23 0.21 0.08 -0.55 8.25 7.76 2zleM1 ILE 4885 HA -0.17 0.19 0.68 -0.75 4.18 4.12 2zleM1 ILE 4885 HB -0.41 0.03 0.22 -0.04 1.89 1.69 2zleM1 ILE 4885 HG12 -0.50 -0.05 0.10 -0.04 1.49 1.00 2zleM1 ILE 4885 HG13 -0.38 0.06 -0.09 -0.04 1.21 0.76 2zleM1 ILE 4885 HG23 -0.66 0.02 -0.05 -0.04 0.93 0.19 2zleM1 ILE 4885 HD13 -1.37 -0.01 0.02 -0.04 0.88 -0.53 2zleM1 LEU 4886 H -0.15 0.12 -0.73 -0.55 8.37 7.06 2zleM1 LEU 4886 HA -0.11 0.23 0.83 -0.75 4.35 4.55 2zleM1 LEU 4886 HB2 -0.12 0.04 -0.05 -0.04 1.64 1.46 2zleM1 LEU 4886 HB3 -0.09 0.06 0.10 -0.04 1.64 1.68 2zleM1 LEU 4886 HG -0.14 -0.14 -0.29 -0.04 1.64 1.03 2zleM1 LEU 4886 HD13 -0.07 0.03 -0.26 -0.04 0.93 0.60 2zleM1 LEU 4886 HD23 -0.10 0.06 0.06 -0.04 0.89 0.88 2zleM1 ALA 4887 H -0.09 0.14 -0.19 -0.55 8.40 7.72 2zleM1 ALA 4887 HA -0.08 -0.08 0.42 -0.75 4.34 3.84 2zleM1 ALA 4887 HB3 -0.03 0.04 0.13 -0.04 1.41 1.50 2zleM1 PRO 4888 HA -0.04 0.04 0.18 -0.51 4.44 4.11 2zleM1 PRO 4888 HB2 -0.03 0.08 0.14 -0.04 2.28 2.43 2zleM1 PRO 4888 HB3 -0.03 0.06 0.12 -0.04 2.02 2.13 2zleM1 PRO 4888 HG2 -0.02 0.04 -0.06 -0.04 2.03 1.95 2zleM1 PRO 4888 HG3 -0.02 0.02 0.04 -0.04 2.03 2.02 2zleM1 PRO 4888 HD2 -0.03 0.54 -1.66 -0.04 3.68 2.49 2zleM1 PRO 4888 HD3 -0.03 0.14 -0.28 -0.04 3.65 3.44 2zleM1 ASP 4889 H -0.08 -0.04 0.07 -0.55 8.40 7.80 2zleM1 ASP 4889 HA -0.05 0.20 1.08 -0.75 4.63 5.11 2zleM1 ASP 4889 HB2 -0.05 -0.08 -0.14 -0.04 2.71 2.40 2zleM1 ASP 4889 HB3 -0.08 0.33 0.15 -0.04 2.70 3.06 2zleM1 GLY 4890 H -0.18 -0.01 -0.04 -0.55 8.43 7.66 2zleM1 GLY 4890 HA2 -0.36 -0.14 0.41 -0.51 4.01 3.40 2zleM1 GLY 4890 HA3 -0.18 0.20 0.68 -0.51 4.01 4.21 2zleM1 GLY 4891 H -0.10 -0.20 0.17 -0.55 8.43 7.74 2zleM1 GLY 4891 HA2 -0.05 0.33 0.35 -0.51 4.01 4.13 2zleM1 GLY 4891 HA3 -0.05 0.31 0.77 -0.51 4.01 4.53 2zleM1 ASN 4892 H -0.02 0.23 0.13 -0.55 8.53 8.32 2zleM1 ASN 4892 HA -0.06 0.21 1.05 -0.75 4.76 5.21 2zleM1 ASN 4892 HB2 0.03 -0.19 0.11 -0.04 2.88 2.79 2zleM1 ASN 4892 HB3 0.02 0.04 0.07 -0.04 2.79 2.87 2zleM1 ASN 4892 HD21 0.02 0.36 -0.01 -0.04 7.03 7.36 2zleM1 ASN 4892 HD22 0.03 -0.15 -0.18 -0.04 7.74 7.40 2zleM1 ILE 4893 H -0.04 0.15 0.21 -0.55 8.25 8.02 2zleM1 ILE 4893 HA -0.03 0.20 0.61 -0.75 4.18 4.21 2zleM1 ILE 4893 HB -0.12 0.06 0.08 -0.04 1.89 1.87 2zleM1 ILE 4893 HG12 0.02 -0.01 -0.09 -0.04 1.49 1.37 2zleM1 ILE 4893 HG13 -0.03 0.04 0.10 -0.04 1.21 1.28 2zleM1 ILE 4893 HG23 -0.04 -0.04 0.05 -0.04 0.93 0.86 2zleM1 ILE 4893 HD13 -0.01 0.00 -0.02 -0.04 0.88 0.81 2zleM1 GLY 4894 H 0.05 0.06 -0.08 -0.55 8.43 7.91 2zleM1 GLY 4894 HA2 0.03 0.01 0.25 -0.51 4.01 3.80 2zleM1 GLY 4894 HA3 0.04 0.22 0.71 -0.51 4.01 4.47 2zleM1 ILE 4895 H 0.13 0.13 0.10 -0.55 8.25 8.05 2zleM1 ILE 4895 HA 0.04 0.18 0.69 -0.75 4.18 4.34 2zleM1 ILE 4895 HB 0.04 0.04 -0.18 -0.04 1.89 1.74 2zleM1 ILE 4895 HG12 -0.05 0.07 0.02 -0.04 1.49 1.49 2zleM1 ILE 4895 HG13 -0.00 0.01 -0.04 -0.04 1.21 1.14 2zleM1 ILE 4895 HG23 0.07 0.00 -0.23 -0.04 0.93 0.74 2zleM1 ILE 4895 HD13 -0.07 -0.01 -0.19 -0.04 0.88 0.56 2zleM1 GLY 4896 H 0.00 0.74 0.25 -0.55 8.43 8.87 2zleM1 GLY 4896 HA2 0.18 0.11 0.87 -0.51 4.01 4.66 2zleM1 GLY 4896 HA3 0.06 0.08 0.21 -0.51 4.01 3.85 2zleM1 PHE 4897 H 0.34 0.21 0.19 -0.55 8.34 8.53 2zleM1 PHE 4897 HA 0.04 0.46 1.07 -0.75 4.62 5.44 2zleM1 PHE 4897 HB2 -0.10 -0.04 0.12 -0.04 3.15 3.09 2zleM1 PHE 4897 HB3 -0.19 0.05 -0.08 -0.04 3.06 2.80 2zleM1 PHE 4897 HD2 -0.32 -0.02 -0.17 -0.04 7.28 6.73 2zleM1 PHE 4897 HE2 -0.11 -0.02 -0.14 -0.04 7.38 7.07 2zleM1 PHE 4897 HZ -0.08 0.01 -0.10 -0.04 7.32 7.12 2zleM1 ALA 4898 H 0.14 0.73 0.27 -0.55 8.40 9.00 2zleM1 ALA 4898 HA 0.20 0.29 1.23 -0.75 4.34 5.30 2zleM1 ALA 4898 HB3 0.07 -0.04 -0.33 -0.04 1.41 1.08 2zleM1 ILE 4899 H 0.10 0.64 0.26 -0.55 8.25 8.70 2zleM1 ILE 4899 HA -0.14 0.13 0.63 -0.75 4.18 4.05 2zleM1 ILE 4899 HB -0.01 -0.11 0.08 -0.04 1.89 1.81 2zleM1 ILE 4899 HG12 0.10 0.04 0.06 -0.04 1.49 1.65 2zleM1 ILE 4899 HG13 0.01 0.02 -0.03 -0.04 1.21 1.17 2zleM1 ILE 4899 HG23 -0.11 0.01 -0.10 -0.04 0.93 0.69 2zleM1 ILE 4899 HD13 -0.21 0.04 -0.02 -0.04 0.88 0.65 2zleM1 PRO 4900 HA -0.01 0.28 0.71 -0.51 4.44 4.91 2zleM1 PRO 4900 HB2 -0.02 -0.21 0.09 -0.04 2.28 2.10 2zleM1 PRO 4900 HB3 -0.02 0.16 0.14 -0.04 2.02 2.26 2zleM1 PRO 4900 HG2 -0.06 -0.19 0.11 -0.04 2.03 1.85 2zleM1 PRO 4900 HG3 -0.05 0.19 0.10 -0.04 2.03 2.22 2zleM1 PRO 4900 HD2 -0.16 0.02 0.16 -0.04 3.68 3.66 2zleM1 PRO 4900 HD3 -0.07 0.45 0.24 -0.04 3.65 4.22 2zleM1 SER 4901 H -0.00 0.84 0.17 -0.55 8.46 8.92 2zleM1 SER 4901 HA -0.01 0.04 0.18 -0.75 4.49 3.94 2zleM1 SER 4901 HB2 -0.00 0.03 -0.05 -0.04 3.95 3.89 2zleM1 SER 4901 HB3 0.00 -0.14 -0.38 -0.04 3.93 3.36 2zleM1 ASN 4902 H -0.02 0.03 -0.14 -0.55 8.53 7.86 2zleM1 ASN 4902 HA -0.01 0.13 0.44 -0.75 4.76 4.55 2zleM1 ASN 4902 HB2 -0.02 -0.00 0.08 -0.04 2.88 2.90 2zleM1 ASN 4902 HB3 -0.02 0.10 0.01 -0.04 2.79 2.84 2zleM1 ASN 4902 HD21 -0.01 -0.02 0.03 -0.04 7.03 6.99 2zleM1 ASN 4902 HD22 -0.01 0.13 0.03 -0.04 7.74 7.85 2zleM1 MET 4903 H -0.03 0.22 -0.24 -0.55 8.47 7.87 2zleM1 MET 4903 HA -0.03 0.07 0.48 -0.75 4.52 4.29 2zleM1 MET 4903 HB2 -0.06 -0.02 0.06 -0.04 2.15 2.09 2zleM1 MET 4903 HB3 -0.07 0.13 0.06 -0.04 2.03 2.12 2zleM1 MET 4903 HG2 -0.11 0.04 -0.05 -0.04 2.63 2.46 2zleM1 MET 4903 HG3 -0.06 -0.03 -0.23 -0.04 2.56 2.20 2zleM1 MET 4903 HE3 -0.04 0.00 -0.02 -0.04 2.10 2.00 2zleM1 VAL 4904 H -0.03 0.52 -0.22 -0.55 8.24 7.96 2zleM1 VAL 4904 HA -0.03 0.01 0.27 -0.75 4.13 3.63 2zleM1 VAL 4904 HB -0.01 0.12 0.00 -0.04 2.12 2.19 2zleM1 VAL 4904 HG13 -0.01 -0.01 -0.14 -0.04 0.97 0.77 2zleM1 VAL 4904 HG23 -0.01 0.10 -0.24 -0.04 0.95 0.75 2zleM1 LYS 4905 H -0.02 0.55 -0.17 -0.55 8.42 8.23 2zleM1 LYS 4905 HA -0.02 0.03 0.37 -0.75 4.32 3.94 2zleM1 LYS 4905 HB2 -0.01 0.02 0.09 -0.04 1.87 1.93 2zleM1 LYS 4905 HB3 -0.02 0.10 0.15 -0.04 1.79 1.98 2zleM1 LYS 4905 HG2 -0.02 -0.01 -0.27 -0.04 1.46 1.12 2zleM1 LYS 4905 HG3 -0.01 -0.00 0.00 -0.04 1.46 1.40 2zleM1 LYS 4905 HD2 -0.01 0.00 -0.02 -0.04 1.69 1.62 2zleM1 LYS 4905 HD3 -0.01 -0.00 -0.04 -0.04 1.68 1.59 2zleM1 LYS 4905 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 2zleM1 LYS 4905 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2zleM1 ASN 4906 H -0.02 0.42 -0.22 -0.55 8.53 8.17 2zleM1 ASN 4906 HA -0.02 0.02 0.37 -0.75 4.76 4.38 2zleM1 ASN 4906 HB2 -0.01 0.03 0.13 -0.04 2.88 2.98 2zleM1 ASN 4906 HB3 -0.02 0.07 0.18 -0.04 2.79 2.98 2zleM1 ASN 4906 HD21 0.00 -0.00 -0.14 -0.04 7.03 6.85 2zleM1 ASN 4906 HD22 -0.01 0.02 -0.25 -0.04 7.74 7.46 2zleM1 LEU 4907 H -0.02 0.73 -0.05 -0.55 8.37 8.49 2zleM1 LEU 4907 HA -0.01 0.01 0.37 -0.75 4.35 3.97 2zleM1 LEU 4907 HB2 -0.03 0.08 -0.01 -0.04 1.64 1.65 2zleM1 LEU 4907 HB3 -0.02 -0.07 -0.11 -0.04 1.64 1.40 2zleM1 LEU 4907 HG -0.03 0.06 -0.00 -0.04 1.64 1.63 2zleM1 LEU 4907 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.70 2zleM1 LEU 4907 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 2zleM1 THR 4908 H -0.04 0.50 -0.39 -0.55 8.28 7.80 2zleM1 THR 4908 HA -0.07 -0.02 0.34 -0.75 4.39 3.89 2zleM1 THR 4908 HB -0.04 0.61 0.16 -0.04 4.32 5.00 2zleM1 THR 4908 HG23 -0.07 0.05 -0.07 -0.04 1.22 1.10 2zleM1 SER 4909 H -0.05 0.57 -0.12 -0.55 8.46 8.31 2zleM1 SER 4909 HA -0.11 0.01 0.31 -0.75 4.49 3.94 2zleM1 SER 4909 HB2 -0.04 0.09 0.04 -0.04 3.95 3.99 2zleM1 SER 4909 HB3 -0.08 -0.05 -0.00 -0.04 3.93 3.76 2zleM1 GLN 4910 H -0.02 0.34 -0.41 -0.55 8.47 7.84 2zleM1 GLN 4910 HA -0.01 0.03 0.32 -0.75 4.36 3.95 2zleM1 GLN 4910 HB2 0.04 0.15 0.06 -0.04 2.15 2.35 2zleM1 GLN 4910 HB3 0.15 0.02 -0.10 -0.04 2.02 2.04 2zleM1 GLN 4910 HG2 0.31 -0.01 0.03 -0.04 2.40 2.69 2zleM1 GLN 4910 HG3 0.08 0.13 0.04 -0.04 2.39 2.60 2zleM1 GLN 4910 HE21 0.02 0.02 -0.05 -0.04 6.97 6.91 2zleM1 GLN 4910 HE22 0.04 0.06 -0.05 -0.04 7.69 7.70 2zleM1 MET 4911 H -0.04 0.40 -0.37 -0.55 8.47 7.91 2zleM1 MET 4911 HA 0.00 -0.07 -0.02 -0.75 4.52 3.68 2zleM1 MET 4911 HB2 -0.10 0.08 -0.13 -0.04 2.15 1.97 2zleM1 MET 4911 HB3 -0.04 -0.02 -0.12 -0.04 2.03 1.81 2zleM1 MET 4911 HG2 -0.02 -0.10 -0.12 -0.04 2.63 2.35 2zleM1 MET 4911 HG3 -0.05 0.22 0.06 -0.04 2.56 2.75 2zleM1 MET 4911 HE3 -0.01 0.05 -0.31 -0.04 2.10 1.79 2zleM1 VAL 4912 H -0.14 0.35 -0.37 -0.55 8.24 7.52 2zleM1 VAL 4912 HA -0.14 0.07 0.28 -0.75 4.13 3.59 2zleM1 VAL 4912 HB -0.17 0.06 0.16 -0.04 2.12 2.13 2zleM1 VAL 4912 HG13 -0.05 -0.00 -0.21 -0.04 0.97 0.66 2zleM1 VAL 4912 HG23 -0.48 0.00 -0.07 -0.04 0.95 0.36 2zleM1 GLU 4913 H -0.21 0.61 0.04 -0.55 8.60 8.49 2zleM1 GLU 4913 HA -0.17 0.09 0.44 -0.75 4.29 3.89 2zleM1 GLU 4913 HB2 -0.70 0.02 0.02 -0.04 2.09 1.39 2zleM1 GLU 4913 HB3 -0.39 -0.06 0.16 -0.04 1.99 1.66 2zleM1 GLU 4913 HG2 -0.14 -0.02 -0.01 -0.04 2.34 2.13 2zleM1 GLU 4913 HG3 -0.18 0.02 0.08 -0.04 2.34 2.22 2zleM1 TYR 4914 H -0.06 0.20 -0.48 -0.55 8.29 7.39 2zleM1 TYR 4914 HA -0.01 0.01 0.67 -0.75 4.56 4.48 2zleM1 TYR 4914 HB2 -0.02 0.29 0.04 -0.04 3.06 3.33 2zleM1 TYR 4914 HB3 -0.01 -0.11 0.07 -0.04 2.98 2.88 2zleM1 TYR 4914 HD2 -0.01 -0.04 0.09 -0.04 7.15 7.15 2zleM1 TYR 4914 HE2 -0.01 -0.06 -0.01 -0.04 6.85 6.73 2zleM1 GLY 4915 H 0.04 0.48 0.05 -0.55 8.43 8.45 2zleM1 GLY 4915 HA2 0.02 0.21 0.33 -0.51 4.01 4.06 2zleM1 GLY 4915 HA3 0.04 -0.03 0.77 -0.51 4.01 4.29 2zleM1 GLN 4916 H 0.10 0.24 -0.34 -0.55 8.47 7.93 2zleM1 GLN 4916 HA 0.02 0.07 0.39 -0.75 4.36 4.08 2zleM1 GLN 4916 HB2 0.01 -0.01 0.09 -0.04 2.15 2.19 2zleM1 GLN 4916 HB3 0.01 0.10 -0.23 -0.04 2.02 1.86 2zleM1 GLN 4916 HG2 0.02 -0.08 -0.22 -0.04 2.40 2.09 2zleM1 GLN 4916 HG3 0.00 0.08 -0.41 -0.04 2.39 2.02 2zleM1 GLN 4916 HE21 -0.00 0.06 0.25 -0.04 6.97 7.23 2zleM1 GLN 4916 HE22 0.00 -0.04 -0.08 -0.04 7.69 7.54 2zleM1 VAL 4917 H 0.01 0.17 0.09 -0.55 8.24 7.97 2zleM1 VAL 4917 HA 0.06 0.10 0.59 -0.75 4.13 4.13 2zleM1 VAL 4917 HB 0.00 0.04 -0.09 -0.04 2.12 2.03 2zleM1 VAL 4917 HG13 0.01 -0.01 -0.03 -0.04 0.97 0.90 2zleM1 VAL 4917 HG23 -0.00 -0.01 0.10 -0.04 0.95 1.00 2zleM1 LYS 4918 H 0.00 0.18 0.09 -0.55 8.42 8.14 2zleM1 LYS 4918 HA -0.07 0.10 0.46 -0.75 4.32 4.06 2zleM1 LYS 4918 HB2 -0.09 0.02 0.19 -0.04 1.87 1.95 2zleM1 LYS 4918 HB3 -0.08 -0.05 0.24 -0.04 1.79 1.86 2zleM1 LYS 4918 HG2 -0.25 0.03 0.01 -0.04 1.46 1.21 2zleM1 LYS 4918 HG3 -0.15 -0.05 -0.00 -0.04 1.46 1.22 2zleM1 LYS 4918 HD2 -0.19 -0.03 -0.16 -0.04 1.69 1.28 2zleM1 LYS 4918 HD3 -0.74 0.03 -0.01 -0.04 1.68 0.91 2zleM1 LYS 4918 HE2 -0.17 -0.00 -0.08 -0.04 2.99 2.70 2zleM1 LYS 4918 HE3 -0.35 0.02 -0.04 -0.04 2.99 2.58 2zleM1 ARG 4919 H -0.03 0.47 0.22 -0.55 8.46 8.57 2zleM1 ARG 4919 HA -0.03 0.25 0.94 -0.75 4.34 4.75 2zleM1 ARG 4919 HB2 -0.02 0.13 0.05 -0.04 1.90 2.02 2zleM1 ARG 4919 HB3 -0.02 -0.01 -0.11 -0.04 1.80 1.63 2zleM1 ARG 4919 HG2 -0.01 0.07 0.10 -0.04 1.67 1.79 2zleM1 ARG 4919 HG3 -0.01 -0.08 0.07 -0.04 1.67 1.60 2zleM1 ARG 4919 HD2 -0.01 -0.13 0.03 -0.04 3.22 3.08 2zleM1 ARG 4919 HD3 -0.01 0.06 -0.00 -0.04 3.22 3.22 2zleM1 GLY 4920 H -0.03 0.46 0.14 -0.55 8.43 8.45 2zleM1 GLY 4920 HA2 -0.03 0.10 0.39 -0.51 4.01 3.96 2zleM1 GLY 4920 HA3 -0.03 0.02 0.05 -0.51 4.01 3.55 2zleM1 GLU 4921 H -0.02 0.62 0.22 -0.55 8.60 8.88 2zleM1 GLU 4921 HA -0.02 0.25 0.96 -0.75 4.29 4.73 2zleM1 GLU 4921 HB2 -0.01 -0.07 0.17 -0.04 2.09 2.14 2zleM1 GLU 4921 HB3 -0.01 0.00 0.09 -0.04 1.99 2.03 2zleM1 GLU 4921 HG2 -0.01 0.28 0.05 -0.04 2.34 2.62 2zleM1 GLU 4921 HG3 -0.00 -0.15 -0.14 -0.04 2.34 2.01 2zleM1 LEU 4922 H -0.02 0.22 0.16 -0.55 8.37 8.18 2zleM1 LEU 4922 HA -0.01 0.15 0.56 -0.75 4.35 4.30 2zleM1 LEU 4922 HB2 -0.02 0.09 0.04 -0.04 1.64 1.71 2zleM1 LEU 4922 HB3 -0.01 -0.07 0.01 -0.04 1.64 1.53 2zleM1 LEU 4922 HG 0.00 -0.06 0.04 -0.04 1.64 1.59 2zleM1 LEU 4922 HD13 -0.01 0.03 -0.06 -0.04 0.93 0.84 2zleM1 LEU 4922 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.78 2zleM1 GLY 4923 H 0.00 0.01 -0.27 -0.55 8.43 7.63 2zleM1 GLY 4923 HA2 0.01 0.07 0.29 -0.51 4.01 3.87 2zleM1 GLY 4923 HA3 0.00 -0.01 0.29 -0.51 4.01 3.78 2zleM1 ILE 4924 H 0.03 -0.02 -0.42 -0.55 8.25 7.29 2zleM1 ILE 4924 HA 0.02 0.09 0.85 -0.75 4.18 4.38 2zleM1 ILE 4924 HB 0.04 0.05 0.03 -0.04 1.89 1.97 2zleM1 ILE 4924 HG12 0.13 0.00 -0.19 -0.04 1.49 1.40 2zleM1 ILE 4924 HG13 0.14 -0.10 -0.26 -0.04 1.21 0.95 2zleM1 ILE 4924 HG23 0.03 -0.00 -0.12 -0.04 0.93 0.80 2zleM1 ILE 4924 HD13 0.49 -0.01 -0.54 -0.04 0.88 0.78 2zleM1 MET 4925 H -0.00 0.70 0.33 -0.55 8.47 8.96 2zleM1 MET 4925 HA 0.13 0.09 0.63 -0.75 4.52 4.62 2zleM1 MET 4925 HB2 -0.04 0.01 -0.02 -0.04 2.15 2.07 2zleM1 MET 4925 HB3 -0.04 0.01 0.04 -0.04 2.03 2.00 2zleM1 MET 4925 HG2 0.06 0.24 -0.15 -0.04 2.63 2.73 2zleM1 MET 4925 HG3 0.01 -0.01 -0.39 -0.04 2.56 2.13 2zleM1 MET 4925 HE3 -0.00 0.00 -0.07 -0.04 2.10 1.99 2zleM1 GLY 4926 H -0.44 0.37 0.22 -0.55 8.43 8.03 2zleM1 GLY 4926 HA2 -0.34 0.01 0.39 -0.51 4.01 3.56 2zleM1 GLY 4926 HA3 -0.36 0.24 0.72 -0.51 4.01 4.10 2zleM1 THR 4927 H -0.29 0.38 0.25 -0.55 8.28 8.08 2zleM1 THR 4927 HA -0.72 0.12 0.71 -0.75 4.39 3.74 2zleM1 THR 4927 HB -0.09 -0.35 0.32 -0.04 4.32 4.17 2zleM1 THR 4927 HG23 -0.23 0.03 -0.10 -0.04 1.22 0.88 2zleM1 GLU 4928 H -0.01 0.12 0.23 -0.55 8.60 8.40 2zleM1 GLU 4928 HA 0.09 0.17 0.76 -0.75 4.29 4.55 2zleM1 GLU 4928 HB2 0.03 -0.01 0.20 -0.04 2.09 2.27 2zleM1 GLU 4928 HB3 0.03 -0.01 0.25 -0.04 1.99 2.22 2zleM1 GLU 4928 HG2 0.07 -0.01 0.12 -0.04 2.34 2.48 2zleM1 GLU 4928 HG3 0.05 0.13 0.11 -0.04 2.34 2.58 2zleM1 LEU 4929 H 0.02 0.23 0.20 -0.55 8.37 8.27 2zleM1 LEU 4929 HA -0.10 0.18 0.66 -0.75 4.35 4.34 2zleM1 LEU 4929 HB2 -0.02 0.02 0.08 -0.04 1.64 1.67 2zleM1 LEU 4929 HB3 -0.09 0.10 0.15 -0.04 1.64 1.76 2zleM1 LEU 4929 HG 0.03 -0.00 -0.06 -0.04 1.64 1.57 2zleM1 LEU 4929 HD13 -0.00 0.01 -0.00 -0.04 0.93 0.89 2zleM1 LEU 4929 HD23 -0.14 0.04 -0.13 -0.04 0.89 0.63 2zleM1 ASN 4930 H 0.00 -0.13 -0.39 -0.55 8.53 7.46 2zleM1 ASN 4930 HA -0.03 0.28 0.82 -0.75 4.76 5.07 2zleM1 ASN 4930 HB2 -0.00 -0.09 0.02 -0.04 2.88 2.77 2zleM1 ASN 4930 HB3 -0.01 0.06 0.01 -0.04 2.79 2.81 2zleM1 ASN 4930 HD21 0.00 0.07 -0.01 -0.04 7.03 7.05 2zleM1 ASN 4930 HD22 0.01 -0.08 0.02 -0.04 7.74 7.65 2zleM1 SER 4931 H 0.02 -0.05 -0.08 -0.55 8.46 7.80 2zleM1 SER 4931 HA 0.01 0.09 0.34 -0.75 4.49 4.17 2zleM1 SER 4931 HB2 0.05 -0.05 0.08 -0.04 3.95 3.99 2zleM1 SER 4931 HB3 0.03 0.02 0.13 -0.04 3.93 4.06 2zleM1 GLU 4932 H 0.01 0.17 0.18 -0.55 8.60 8.42 2zleM1 GLU 4932 HA -0.00 0.17 0.45 -0.75 4.29 4.15 2zleM1 GLU 4932 HB2 0.01 0.01 0.06 -0.04 2.09 2.12 2zleM1 GLU 4932 HB3 -0.00 0.07 0.11 -0.04 1.99 2.12 2zleM1 GLU 4932 HG2 -0.01 0.06 0.09 -0.04 2.34 2.44 2zleM1 GLU 4932 HG3 -0.01 -0.08 0.15 -0.04 2.34 2.36 2zleM1 LEU 4933 H 0.07 0.03 -0.32 -0.55 8.37 7.60 2zleM1 LEU 4933 HA 0.07 0.16 0.48 -0.75 4.35 4.31 2zleM1 LEU 4933 HB2 0.21 -0.06 -0.05 -0.04 1.64 1.69 2zleM1 LEU 4933 HB3 0.23 0.11 -0.05 -0.04 1.64 1.89 2zleM1 LEU 4933 HG 0.03 -0.08 -0.03 -0.04 1.64 1.52 2zleM1 LEU 4933 HD13 -0.01 0.02 -0.02 -0.04 0.93 0.87 2zleM1 LEU 4933 HD23 0.03 0.03 -0.07 -0.04 0.89 0.83 2zleM1 ALA 4934 H 0.03 0.27 -0.42 -0.55 8.40 7.73 2zleM1 ALA 4934 HA -0.67 0.15 0.41 -0.75 4.34 3.47 2zleM1 ALA 4934 HB3 -0.29 0.05 -0.13 -0.04 1.41 1.00 2zleM1 LYS 4935 H -0.05 0.17 -0.39 -0.55 8.42 7.60 2zleM1 LYS 4935 HA -0.07 0.13 0.71 -0.75 4.32 4.34 2zleM1 LYS 4935 HB2 -0.02 0.04 0.15 -0.04 1.87 1.99 2zleM1 LYS 4935 HB3 -0.03 -0.01 0.02 -0.04 1.79 1.73 2zleM1 LYS 4935 HG2 -0.05 -0.00 -0.03 -0.04 1.46 1.34 2zleM1 LYS 4935 HG3 -0.05 0.14 -0.10 -0.04 1.46 1.42 2zleM1 LYS 4935 HD2 -0.02 -0.03 0.00 -0.04 1.69 1.60 2zleM1 LYS 4935 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 2zleM1 LYS 4935 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.92 2zleM1 LYS 4935 HE3 -0.03 0.16 0.07 -0.04 2.99 3.15 2zleM1 ALA 4936 H -0.01 0.78 0.18 -0.55 8.40 8.80 2zleM1 ALA 4936 HA -0.01 0.04 0.37 -0.75 4.34 3.99 2zleM1 ALA 4936 HB3 0.01 -0.03 0.12 -0.04 1.41 1.47 2zleM1 MET 4937 H -0.02 -0.05 -1.19 -0.55 8.47 6.66 2zleM1 MET 4937 HA 0.01 0.15 0.78 -0.75 4.52 4.70 2zleM1 MET 4937 HB2 0.05 0.15 -0.07 -0.04 2.15 2.24 2zleM1 MET 4937 HB3 0.06 -0.03 0.06 -0.04 2.03 2.07 2zleM1 MET 4937 HG2 0.05 0.04 -0.15 -0.04 2.63 2.53 2zleM1 MET 4937 HG3 0.08 -0.09 -0.22 -0.04 2.56 2.30 2zleM1 MET 4937 HE3 0.25 0.03 -0.09 -0.04 2.10 2.25 2zleM1 LYS 4938 H -0.05 0.31 -0.36 -0.55 8.42 7.77 2zleM1 LYS 4938 HA -0.07 -0.01 0.46 -0.75 4.32 3.95 2zleM1 LYS 4938 HB2 -0.03 0.02 0.05 -0.04 1.87 1.87 2zleM1 LYS 4938 HB3 -0.03 -0.06 0.02 -0.04 1.79 1.68 2zleM1 LYS 4938 HG2 -0.03 0.28 -0.07 -0.04 1.46 1.60 2zleM1 LYS 4938 HG3 -0.02 -0.01 -0.35 -0.04 1.46 1.05 2zleM1 LYS 4938 HD2 -0.01 -0.03 -0.06 -0.04 1.69 1.55 2zleM1 LYS 4938 HD3 -0.02 -0.05 -0.05 -0.04 1.68 1.53 2zleM1 LYS 4938 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.92 2zleM1 LYS 4938 HE3 -0.02 0.10 0.02 -0.04 2.99 3.04 2zleM1 VAL 4939 H -0.14 0.26 0.15 -0.55 8.24 7.95 2zleM1 VAL 4939 HA -0.10 0.17 0.85 -0.75 4.13 4.31 2zleM1 VAL 4939 HB -0.19 0.09 -0.09 -0.04 2.12 1.88 2zleM1 VAL 4939 HG13 -0.54 -0.01 -0.09 -0.04 0.97 0.29 2zleM1 VAL 4939 HG23 -0.27 0.05 0.08 -0.04 0.95 0.76 2zleM1 ASP 4940 H -0.04 0.17 0.13 -0.55 8.40 8.11 2zleM1 ASP 4940 HA -0.03 0.02 0.47 -0.75 4.63 4.33 2zleM1 ASP 4940 HB2 -0.02 0.02 0.01 -0.04 2.71 2.69 2zleM1 ASP 4940 HB3 -0.02 -0.05 0.03 -0.04 2.70 2.62 2zleM1 ALA 4941 H -0.02 0.07 0.10 -0.55 8.40 8.00 2zleM1 ALA 4941 HA -0.02 -0.03 0.34 -0.75 4.34 3.88 2zleM1 ALA 4941 HB3 -0.01 0.04 -0.05 -0.04 1.41 1.35 2zleM1 GLN 4942 H -0.03 0.09 0.01 -0.55 8.47 8.00 2zleM1 GLN 4942 HA -0.03 0.17 0.82 -0.75 4.36 4.56 2zleM1 GLN 4942 HB2 -0.04 -0.04 0.16 -0.04 2.15 2.20 2zleM1 GLN 4942 HB3 -0.05 -0.07 0.03 -0.04 2.02 1.89 2zleM1 GLN 4942 HG2 -0.10 0.01 -0.22 -0.04 2.40 2.05 2zleM1 GLN 4942 HG3 -0.06 0.02 -0.23 -0.04 2.39 2.07 2zleM1 GLN 4942 HE21 -0.07 -0.08 0.04 -0.04 6.97 6.82 2zleM1 GLN 4942 HE22 -0.06 0.10 0.07 -0.04 7.69 7.76 2zleM1 ARG 4943 H -0.00 0.25 -0.07 -0.55 8.46 8.09 2zleM1 ARG 4943 HA 0.01 0.03 0.45 -0.75 4.34 4.07 2zleM1 ARG 4943 HB2 0.01 -0.02 0.16 -0.04 1.90 2.01 2zleM1 ARG 4943 HB3 0.00 0.10 0.16 -0.04 1.80 2.02 2zleM1 ARG 4943 HG2 -0.00 -0.02 -0.21 -0.04 1.67 1.40 2zleM1 ARG 4943 HG3 -0.00 -0.10 -0.65 -0.04 1.67 0.87 2zleM1 ARG 4943 HD2 0.01 0.07 0.14 -0.04 3.22 3.40 2zleM1 ARG 4943 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.14 2zleM1 GLY 4944 H 0.03 0.16 0.14 -0.55 8.43 8.21 2zleM1 GLY 4944 HA2 0.05 0.16 0.27 -0.51 4.01 3.98 2zleM1 GLY 4944 HA3 0.05 0.30 0.41 -0.51 4.01 4.25 2zleM1 ALA 4945 H 0.09 0.51 0.04 -0.55 8.40 8.50 2zleM1 ALA 4945 HA 0.20 -0.00 0.78 -0.75 4.34 4.56 2zleM1 ALA 4945 HB3 0.24 -0.01 -0.14 -0.04 1.41 1.46 2zleM1 PHE 4946 H 0.22 0.54 0.29 -0.55 8.34 8.84 2zleM1 PHE 4946 HA 0.01 0.22 0.59 -0.75 4.62 4.69 2zleM1 PHE 4946 HB2 -0.01 -0.01 -0.14 -0.04 3.15 2.95 2zleM1 PHE 4946 HB3 -0.06 -0.15 -0.01 -0.04 3.06 2.81 2zleM1 PHE 4946 HD2 -0.03 -0.00 -0.08 -0.04 7.28 7.13 2zleM1 PHE 4946 HE2 -0.02 -0.03 -0.26 -0.04 7.38 7.03 2zleM1 PHE 4946 HZ -0.02 0.10 -0.15 -0.04 7.32 7.21 2zleM1 VAL 4947 H 0.11 0.52 0.10 -0.55 8.24 8.42 2zleM1 VAL 4947 HA -0.14 0.08 0.67 -0.75 4.13 3.99 2zleM1 VAL 4947 HB -0.05 -0.05 0.13 -0.04 2.12 2.11 2zleM1 VAL 4947 HG13 -0.05 -0.03 -0.29 -0.04 0.97 0.55 2zleM1 VAL 4947 HG23 0.05 0.06 -0.06 -0.04 0.95 0.96 2zleM1 SER 4948 H -0.37 0.26 0.41 -0.55 8.46 8.22 2zleM1 SER 4948 HA -0.60 0.10 0.50 -0.75 4.49 3.74 2zleM1 SER 4948 HB2 -0.38 -0.11 0.07 -0.04 3.95 3.49 2zleM1 SER 4948 HB3 -0.25 0.07 0.02 -0.04 3.93 3.73 2zleM1 GLN 4949 H -0.16 0.39 0.10 -0.55 8.47 8.25 2zleM1 GLN 4949 HA -0.08 0.03 0.43 -0.75 4.36 3.99 2zleM1 GLN 4949 HB2 -0.05 0.07 -0.07 -0.04 2.15 2.06 2zleM1 GLN 4949 HB3 -0.08 0.18 0.02 -0.04 2.02 2.10 2zleM1 GLN 4949 HG2 -0.10 -0.07 -0.37 -0.04 2.40 1.82 2zleM1 GLN 4949 HG3 -0.07 -0.07 -0.08 -0.04 2.39 2.13 2zleM1 GLN 4949 HE21 -0.04 0.04 -0.09 -0.04 6.97 6.84 2zleM1 GLN 4949 HE22 -0.06 -0.07 -0.13 -0.04 7.69 7.39 2zleM1 VAL 4950 H -0.04 0.21 0.10 -0.55 8.24 7.96 2zleM1 VAL 4950 HA -0.01 0.06 0.79 -0.75 4.13 4.21 2zleM1 VAL 4950 HB -0.02 -0.07 -0.20 -0.04 2.12 1.79 2zleM1 VAL 4950 HG13 -0.02 0.03 0.04 -0.04 0.97 0.98 2zleM1 VAL 4950 HG23 -0.01 0.07 -0.34 -0.04 0.95 0.63 2zleM1 LEU 4951 H -0.00 0.57 0.29 -0.55 8.37 8.68 2zleM1 LEU 4951 HA -0.01 0.05 0.42 -0.75 4.35 4.06 2zleM1 LEU 4951 HB2 0.00 0.38 0.33 -0.04 1.64 2.31 2zleM1 LEU 4951 HB3 -0.00 0.07 -0.03 -0.04 1.64 1.64 2zleM1 LEU 4951 HG 0.00 -0.05 -0.16 -0.04 1.64 1.39 2zleM1 LEU 4951 HD13 0.01 -0.05 -0.04 -0.04 0.93 0.80 2zleM1 LEU 4951 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.85 2zleM1 PRO 4952 HA -0.01 0.03 0.44 -0.51 4.44 4.40 2zleM1 PRO 4952 HB2 -0.01 0.04 0.01 -0.04 2.28 2.28 2zleM1 PRO 4952 HB3 -0.01 0.02 0.11 -0.04 2.02 2.11 2zleM1 PRO 4952 HG2 -0.01 0.05 0.08 -0.04 2.03 2.10 2zleM1 PRO 4952 HG3 -0.01 0.07 0.10 -0.04 2.03 2.15 2zleM1 PRO 4952 HD2 -0.01 0.10 0.17 -0.04 3.68 3.90 2zleM1 PRO 4952 HD3 -0.01 0.13 0.22 -0.04 3.65 3.94 2zleM1 ASN 4953 H -0.01 0.13 0.15 -0.55 8.53 8.26 2zleM1 ASN 4953 HA -0.01 0.03 0.33 -0.75 4.76 4.35 2zleM1 ASN 4953 HB2 -0.01 0.11 -0.22 -0.04 2.88 2.73 2zleM1 ASN 4953 HB3 -0.01 0.02 0.18 -0.04 2.79 2.94 2zleM1 ASN 4953 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.95 2zleM1 ASN 4953 HD22 -0.01 0.05 -0.06 -0.04 7.74 7.68 2zleM1 SER 4954 H -0.01 0.10 -0.53 -0.55 8.46 7.47 2zleM1 SER 4954 HA -0.01 0.23 0.68 -0.75 4.49 4.64 2zleM1 SER 4954 HB2 -0.00 -0.17 0.09 -0.04 3.95 3.82 2zleM1 SER 4954 HB3 -0.00 0.18 -0.09 -0.04 3.93 3.97 2zleM1 SER 4955 H -0.01 0.18 0.11 -0.55 8.46 8.20 2zleM1 SER 4955 HA -0.01 0.14 0.56 -0.75 4.49 4.43 2zleM1 SER 4955 HB2 -0.01 0.01 0.16 -0.04 3.95 4.08 2zleM1 SER 4955 HB3 -0.01 -0.03 0.01 -0.04 3.93 3.86 2zleM1 ALA 4956 H -0.00 0.10 -0.10 -0.55 8.40 7.85 2zleM1 ALA 4956 HA -0.00 0.12 0.28 -0.75 4.34 3.99 2zleM1 ALA 4956 HB3 0.00 0.07 -0.03 -0.04 1.41 1.41 2zleM1 ALA 4957 H -0.00 -0.03 -0.46 -0.55 8.40 7.37 2zleM1 ALA 4957 HA -0.00 0.11 0.28 -0.75 4.34 3.97 2zleM1 ALA 4957 HB3 -0.01 0.05 -0.03 -0.04 1.41 1.38 2zleM1 LYS 4958 H -0.01 0.69 -0.14 -0.55 8.42 8.41 2zleM1 LYS 4958 HA -0.00 -0.02 0.30 -0.75 4.32 3.84 2zleM1 LYS 4958 HB2 -0.01 0.15 0.11 -0.04 1.87 2.08 2zleM1 LYS 4958 HB3 -0.01 -0.09 0.18 -0.04 1.79 1.83 2zleM1 LYS 4958 HG2 -0.01 -0.04 -0.00 -0.04 1.46 1.37 2zleM1 LYS 4958 HG3 -0.01 -0.03 -0.03 -0.04 1.46 1.36 2zleM1 LYS 4958 HD2 -0.00 -0.01 -0.22 -0.04 1.69 1.41 2zleM1 LYS 4958 HD3 -0.00 0.06 -0.45 -0.04 1.68 1.24 2zleM1 LYS 4958 HE2 -0.00 -0.00 -0.06 -0.04 2.99 2.88 2zleM1 LYS 4958 HE3 -0.00 -0.02 -0.04 -0.04 2.99 2.89 2zleM1 ALA 4959 H -0.00 0.47 -0.10 -0.55 8.40 8.22 2zleM1 ALA 4959 HA -0.00 -0.02 0.42 -0.75 4.34 3.98 2zleM1 ALA 4959 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 2zleM1 GLY 4960 H -0.00 0.34 -0.54 -0.55 8.43 7.69 2zleM1 GLY 4960 HA2 -0.00 -0.01 0.32 -0.51 4.01 3.81 2zleM1 GLY 4960 HA3 0.00 0.11 0.90 -0.51 4.01 4.51 2zleM1 ILE 4961 H 0.00 0.25 0.12 -0.55 8.25 8.07 2zleM1 ILE 4961 HA 0.01 -0.04 0.30 -0.75 4.18 3.69 2zleM1 ILE 4961 HB 0.00 0.15 -0.39 -0.04 1.89 1.61 2zleM1 ILE 4961 HG12 0.01 -0.13 0.05 -0.04 1.49 1.39 2zleM1 ILE 4961 HG13 0.01 0.49 0.31 -0.04 1.21 1.97 2zleM1 ILE 4961 HG23 0.00 -0.06 -0.38 -0.04 0.93 0.46 2zleM1 ILE 4961 HD13 0.01 -0.05 -0.09 -0.04 0.88 0.72 2zleM1 LYS 4962 H 0.01 0.23 0.10 -0.55 8.42 8.20 2zleM1 LYS 4962 HA -0.01 0.08 0.67 -0.75 4.32 4.30 2zleM1 LYS 4962 HB2 0.01 -0.04 -0.01 -0.04 1.87 1.79 2zleM1 LYS 4962 HB3 -0.00 0.07 0.04 -0.04 1.79 1.86 2zleM1 LYS 4962 HG2 -0.00 0.05 0.09 -0.04 1.46 1.56 2zleM1 LYS 4962 HG3 -0.00 -0.07 -0.55 -0.04 1.46 0.80 2zleM1 LYS 4962 HD2 0.00 -0.03 -0.06 -0.04 1.69 1.56 2zleM1 LYS 4962 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.64 2zleM1 LYS 4962 HE2 -0.00 0.02 -0.00 -0.04 2.99 2.97 2zleM1 LYS 4962 HE3 -0.00 -0.00 -0.04 -0.04 2.99 2.91 2zleM1 ALA 4963 H -0.03 0.07 0.06 -0.55 8.40 7.96 2zleM1 ALA 4963 HA -0.09 -0.00 0.19 -0.75 4.34 3.69 2zleM1 ALA 4963 HB3 -0.09 0.00 -0.06 -0.04 1.41 1.22 2zleM1 GLY 4964 H -0.12 0.62 0.28 -0.55 8.43 8.67 2zleM1 GLY 4964 HA2 0.47 -0.02 0.37 -0.51 4.01 4.32 2zleM1 GLY 4964 HA3 0.14 0.18 0.88 -0.51 4.01 4.69 2zleM1 ASP 4965 H 0.06 0.34 -0.13 -0.55 8.40 8.13 2zleM1 ASP 4965 HA 0.07 0.45 0.52 -0.75 4.63 4.91 2zleM1 ASP 4965 HB2 0.05 -0.06 -0.02 -0.04 2.71 2.64 2zleM1 ASP 4965 HB3 0.04 -0.24 -0.00 -0.04 2.70 2.46 2zleM1 VAL 4966 H 0.07 0.29 0.33 -0.55 8.24 8.38 2zleM1 VAL 4966 HA 0.15 0.33 1.04 -0.75 4.13 4.90 2zleM1 VAL 4966 HB 0.05 0.01 0.11 -0.04 2.12 2.25 2zleM1 VAL 4966 HG13 0.08 -0.01 -0.41 -0.04 0.97 0.59 2zleM1 VAL 4966 HG23 0.08 0.02 -0.04 -0.04 0.95 0.96 2zleM1 ILE 4967 H 0.09 0.24 0.14 -0.55 8.25 8.17 2zleM1 ILE 4967 HA 0.04 0.13 0.58 -0.75 4.18 4.18 2zleM1 ILE 4967 HB 0.06 -0.13 0.07 -0.04 1.89 1.86 2zleM1 ILE 4967 HG12 0.03 -0.02 -0.07 -0.04 1.49 1.39 2zleM1 ILE 4967 HG13 0.03 0.03 -0.10 -0.04 1.21 1.14 2zleM1 ILE 4967 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.81 2zleM1 ILE 4967 HD13 0.07 -0.03 -0.09 -0.04 0.88 0.79 2zleM1 THR 4968 H 0.02 0.65 0.44 -0.55 8.28 8.84 2zleM1 THR 4968 HA 0.03 0.33 1.07 -0.75 4.39 5.06 2zleM1 THR 4968 HB 0.01 -0.05 -0.01 -0.04 4.32 4.24 2zleM1 THR 4968 HG23 0.01 0.00 0.04 -0.04 1.22 1.24 2zleM1 SER 4969 H 0.01 0.22 0.31 -0.55 8.46 8.46 2zleM1 SER 4969 HA 0.01 0.24 0.60 -0.75 4.49 4.59 2zleM1 SER 4969 HB2 0.00 -0.02 -0.41 -0.04 3.95 3.49 2zleM1 SER 4969 HB3 0.01 0.11 -0.36 -0.04 3.93 3.64 2zleM1 LEU 4970 H -0.00 0.73 0.00 -0.55 8.37 8.56 2zleM1 LEU 4970 HA -0.00 0.06 0.68 -0.75 4.35 4.34 2zleM1 LEU 4970 HB2 -0.01 -0.04 -0.25 -0.04 1.64 1.29 2zleM1 LEU 4970 HB3 -0.01 0.04 0.04 -0.04 1.64 1.67 2zleM1 LEU 4970 HG -0.01 -0.02 -0.10 -0.04 1.64 1.46 2zleM1 LEU 4970 HD13 -0.03 0.00 -0.16 -0.04 0.93 0.71 2zleM1 LEU 4970 HD23 -0.01 0.01 -0.27 -0.04 0.89 0.58 2zleM1 ASN 4971 H -0.00 0.76 0.26 -0.55 8.53 9.00 2zleM1 ASN 4971 HA -0.00 0.06 0.42 -0.75 4.76 4.48 2zleM1 ASN 4971 HB2 -0.01 0.21 0.01 -0.04 2.88 3.05 2zleM1 ASN 4971 HB3 -0.01 -0.01 0.29 -0.04 2.79 3.03 2zleM1 ASN 4971 HD21 -0.01 0.08 0.11 -0.04 7.03 7.17 2zleM1 ASN 4971 HD22 -0.01 0.04 0.03 -0.04 7.74 7.76 2zleM1 GLY 4972 H -0.00 0.07 -0.13 -0.55 8.43 7.82 2zleM1 GLY 4972 HA2 0.00 -0.01 0.28 -0.51 4.01 3.77 2zleM1 GLY 4972 HA3 -0.00 0.15 0.46 -0.51 4.01 4.10 2zleM1 LYS 4973 H -0.00 0.40 -0.74 -0.55 8.42 7.53 2zleM1 LYS 4973 HA 0.00 0.13 0.54 -0.75 4.32 4.23 2zleM1 LYS 4973 HB2 -0.00 0.08 0.07 -0.04 1.87 1.98 2zleM1 LYS 4973 HB3 -0.00 0.04 0.03 -0.04 1.79 1.81 2zleM1 LYS 4973 HG2 -0.00 -0.03 0.03 -0.04 1.46 1.42 2zleM1 LYS 4973 HG3 -0.00 -0.04 -0.01 -0.04 1.46 1.36 2zleM1 LYS 4973 HD2 -0.00 -0.04 0.09 -0.04 1.69 1.70 2zleM1 LYS 4973 HD3 -0.00 0.23 0.12 -0.04 1.68 1.98 2zleM1 LYS 4973 HE2 -0.01 -0.01 0.06 -0.04 2.99 2.99 2zleM1 LYS 4973 HE3 -0.01 -0.01 0.04 -0.04 2.99 2.97 2zleM1 PRO 4974 HA 0.01 0.26 0.57 -0.51 4.44 4.78 2zleM1 PRO 4974 HB2 0.01 -0.06 0.04 -0.04 2.28 2.22 2zleM1 PRO 4974 HB3 0.01 0.07 0.07 -0.04 2.02 2.12 2zleM1 PRO 4974 HG2 0.00 0.01 0.09 -0.04 2.03 2.09 2zleM1 PRO 4974 HG3 0.00 0.08 0.11 -0.04 2.03 2.19 2zleM1 PRO 4974 HD2 0.00 0.07 0.19 -0.04 3.68 3.90 2zleM1 PRO 4974 HD3 0.00 0.16 0.28 -0.04 3.65 4.05 2zleM1 ILE 4975 H 0.01 0.98 0.12 -0.55 8.25 8.81 2zleM1 ILE 4975 HA 0.01 0.09 0.79 -0.75 4.18 4.31 2zleM1 ILE 4975 HB 0.02 0.00 -0.43 -0.04 1.89 1.44 2zleM1 ILE 4975 HG12 0.00 0.01 -0.50 -0.04 1.49 0.96 2zleM1 ILE 4975 HG13 0.00 0.01 -0.46 -0.04 1.21 0.72 2zleM1 ILE 4975 HG23 0.02 -0.05 -0.27 -0.04 0.93 0.58 2zleM1 ILE 4975 HD13 -0.01 0.04 -0.23 -0.04 0.88 0.64 2zleM1 SER 4976 H 0.02 0.16 -0.05 -0.55 8.46 8.04 2zleM1 SER 4976 HA 0.03 0.40 0.51 -0.75 4.49 4.66 2zleM1 SER 4976 HB2 0.02 -0.03 0.01 -0.04 3.95 3.91 2zleM1 SER 4976 HB3 0.01 0.09 -0.04 -0.04 3.93 3.95 2zleM1 SER 4977 H 0.04 0.16 -0.21 -0.55 8.46 7.90 2zleM1 SER 4977 HA 0.09 0.26 0.34 -0.75 4.49 4.43 2zleM1 SER 4977 HB2 0.08 -0.09 0.05 -0.04 3.95 3.94 2zleM1 SER 4977 HB3 0.05 0.27 -0.18 -0.04 3.93 4.03 2zleM1 PHE 4978 H 0.23 0.23 -0.01 -0.55 8.34 8.24 2zleM1 PHE 4978 HA 0.02 0.09 0.28 -0.75 4.62 4.26 2zleM1 PHE 4978 HB2 0.03 0.09 -0.09 -0.04 3.15 3.15 2zleM1 PHE 4978 HB3 0.02 -0.05 0.02 -0.04 3.06 3.01 2zleM1 PHE 4978 HD2 0.01 -0.02 -0.11 -0.04 7.28 7.12 2zleM1 PHE 4978 HE2 -0.01 0.01 -0.14 -0.04 7.38 7.21 2zleM1 PHE 4978 HZ -0.01 0.03 -0.05 -0.04 7.32 7.25 2zleM1 ALA 4979 H 0.16 0.06 -0.28 -0.55 8.40 7.78 2zleM1 ALA 4979 HA 0.01 0.08 0.25 -0.75 4.34 3.92 2zleM1 ALA 4979 HB3 0.05 0.01 -0.01 -0.04 1.41 1.43 2zleM1 ALA 4980 H 0.01 0.02 -0.22 -0.55 8.40 7.67 2zleM1 ALA 4980 HA -0.01 0.08 0.33 -0.75 4.34 3.99 2zleM1 ALA 4980 HB3 0.00 0.02 0.06 -0.04 1.41 1.45 2zleM1 LEU 4981 H -0.07 0.43 -0.29 -0.55 8.37 7.90 2zleM1 LEU 4981 HA -0.07 0.03 0.36 -0.75 4.35 3.91 2zleM1 LEU 4981 HB2 -0.06 -0.02 -0.01 -0.04 1.64 1.51 2zleM1 LEU 4981 HB3 -0.27 0.04 0.05 -0.04 1.64 1.42 2zleM1 LEU 4981 HG -0.04 0.02 -0.11 -0.04 1.64 1.47 2zleM1 LEU 4981 HD13 -0.01 -0.01 -0.12 -0.04 0.93 0.74 2zleM1 LEU 4981 HD23 -0.10 -0.02 -0.15 -0.04 0.89 0.58 2zleM1 ARG 4982 H -0.35 0.78 0.07 -0.55 8.46 8.40 2zleM1 ARG 4982 HA -0.28 -0.03 0.36 -0.75 4.34 3.63 2zleM1 ARG 4982 HB2 -0.60 -0.03 -0.01 -0.04 1.90 1.21 2zleM1 ARG 4982 HB3 -0.16 0.07 -0.00 -0.04 1.80 1.67 2zleM1 ARG 4982 HG2 -0.09 0.02 -0.04 -0.04 1.67 1.52 2zleM1 ARG 4982 HG3 -0.23 -0.04 0.03 -0.04 1.67 1.38 2zleM1 ARG 4982 HD2 0.08 -0.00 -0.01 -0.04 3.22 3.24 2zleM1 ARG 4982 HD3 0.05 -0.04 -0.04 -0.04 3.22 3.15 2zleM1 ALA 4983 H -0.09 0.55 -0.29 -0.55 8.40 8.02 2zleM1 ALA 4983 HA -0.03 0.04 0.45 -0.75 4.34 4.04 2zleM1 ALA 4983 HB3 -0.01 0.03 0.03 -0.04 1.41 1.41 2zleM1 GLN 4984 H -0.06 0.41 -0.05 -0.55 8.47 8.22 2zleM1 GLN 4984 HA -0.03 0.06 0.45 -0.75 4.36 4.09 2zleM1 GLN 4984 HB2 -0.05 0.01 0.15 -0.04 2.15 2.22 2zleM1 GLN 4984 HB3 -0.03 -0.03 -0.07 -0.04 2.02 1.85 2zleM1 GLN 4984 HG2 -0.02 -0.03 0.01 -0.04 2.40 2.32 2zleM1 GLN 4984 HG3 -0.02 0.19 0.02 -0.04 2.39 2.53 2zleM1 GLN 4984 HE21 -0.01 0.04 -0.10 -0.04 6.97 6.86 2zleM1 GLN 4984 HE22 -0.01 -0.03 -0.06 -0.04 7.69 7.55 2zleM1 VAL 4985 H -0.07 0.64 -0.10 -0.55 8.24 8.16 2zleM1 VAL 4985 HA -0.04 0.06 0.41 -0.75 4.13 3.81 2zleM1 VAL 4985 HB -0.05 -0.02 0.06 -0.04 2.12 2.07 2zleM1 VAL 4985 HG13 -0.05 -0.02 -0.04 -0.04 0.97 0.81 2zleM1 VAL 4985 HG23 -0.10 0.14 0.05 -0.04 0.95 0.99 2zleM1 GLY 4986 H -0.04 0.23 -0.82 -0.55 8.43 7.25 2zleM1 GLY 4986 HA2 -0.03 0.07 0.57 -0.51 4.01 4.11 2zleM1 GLY 4986 HA3 -0.03 0.03 0.29 -0.51 4.01 3.79 2zleM1 THR 4987 H -0.03 0.42 -0.56 -0.55 8.28 7.57 2zleM1 THR 4987 HA -0.02 0.09 0.75 -0.75 4.39 4.45 2zleM1 THR 4987 HB -0.02 0.14 0.15 -0.04 4.32 4.55 2zleM1 THR 4987 HG23 -0.02 -0.03 0.14 -0.04 1.22 1.27 2zleM1 MET 4988 H -0.03 0.21 -0.52 -0.55 8.47 7.59 2zleM1 MET 4988 HA -0.02 0.15 0.69 -0.75 4.52 4.58 2zleM1 MET 4988 HB2 -0.03 0.07 0.01 -0.04 2.15 2.16 2zleM1 MET 4988 HB3 -0.02 -0.03 -0.06 -0.04 2.03 1.87 2zleM1 MET 4988 HG2 -0.02 -0.03 -0.04 -0.04 2.63 2.50 2zleM1 MET 4988 HG3 -0.02 0.20 -0.89 -0.04 2.56 1.81 2zleM1 MET 4988 HE3 -0.02 -0.03 -0.10 -0.04 2.10 1.91 2zleM1 PRO 4989 HA -0.04 0.09 0.55 -0.51 4.44 4.53 2zleM1 PRO 4989 HB2 -0.04 0.05 0.03 -0.04 2.28 2.28 2zleM1 PRO 4989 HB3 -0.05 0.02 0.11 -0.04 2.02 2.07 2zleM1 PRO 4989 HG2 -0.02 0.01 0.04 -0.04 2.03 2.02 2zleM1 PRO 4989 HG3 -0.02 0.07 0.00 -0.04 2.03 2.04 2zleM1 PRO 4989 HD2 -0.02 0.10 0.17 -0.04 3.68 3.89 2zleM1 PRO 4989 HD3 -0.02 0.17 -0.05 -0.04 3.65 3.71 2zleM1 VAL 4990 H -0.05 0.04 -0.09 -0.55 8.24 7.60 2zleM1 VAL 4990 HA -0.04 0.03 0.13 -0.75 4.13 3.50 2zleM1 VAL 4990 HB -0.07 0.06 -0.13 -0.04 2.12 1.94 2zleM1 VAL 4990 HG13 -0.04 -0.02 0.10 -0.04 0.97 0.97 2zleM1 VAL 4990 HG23 -0.06 0.01 -0.12 -0.04 0.95 0.74 2zleM1 GLY 4991 H -0.03 0.42 0.28 -0.55 8.43 8.56 2zleM1 GLY 4991 HA2 -0.02 0.01 0.38 -0.51 4.01 3.87 2zleM1 GLY 4991 HA3 -0.03 -0.02 0.37 -0.51 4.01 3.82 2zleM1 SER 4992 H -0.03 0.17 -0.70 -0.55 8.46 7.36 2zleM1 SER 4992 HA -0.02 0.04 0.42 -0.75 4.49 4.17 2zleM1 SER 4992 HB2 -0.02 -0.08 -0.13 -0.04 3.95 3.68 2zleM1 SER 4992 HB3 -0.02 -0.05 -0.00 -0.04 3.93 3.82 2zleM1 LYS 4993 H -0.01 0.20 0.16 -0.55 8.42 8.21 2zleM1 LYS 4993 HA -0.01 0.25 0.99 -0.75 4.32 4.79 2zleM1 LYS 4993 HB2 -0.01 -0.03 0.13 -0.04 1.87 1.92 2zleM1 LYS 4993 HB3 -0.01 -0.05 -0.08 -0.04 1.79 1.61 2zleM1 LYS 4993 HG2 -0.01 -0.01 -0.19 -0.04 1.46 1.21 2zleM1 LYS 4993 HG3 -0.01 0.10 -0.20 -0.04 1.46 1.31 2zleM1 LYS 4993 HD2 -0.01 -0.01 -0.03 -0.04 1.69 1.59 2zleM1 LYS 4993 HD3 -0.01 -0.04 -0.09 -0.04 1.68 1.50 2zleM1 LYS 4993 HE2 -0.01 0.04 -0.04 -0.04 2.99 2.95 2zleM1 LYS 4993 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2zleM1 LEU 4994 H -0.01 0.62 0.21 -0.55 8.37 8.64 2zleM1 LEU 4994 HA -0.01 0.13 0.90 -0.75 4.35 4.62 2zleM1 LEU 4994 HB2 -0.01 0.00 -0.08 -0.04 1.64 1.51 2zleM1 LEU 4994 HB3 -0.01 0.06 -0.23 -0.04 1.64 1.42 2zleM1 LEU 4994 HG -0.01 -0.05 -0.00 -0.04 1.64 1.54 2zleM1 LEU 4994 HD13 -0.02 0.00 -0.13 -0.04 0.93 0.74 2zleM1 LEU 4994 HD23 -0.01 0.05 -0.05 -0.04 0.89 0.83 2zleM1 THR 4995 H -0.01 0.19 0.13 -0.55 8.28 8.04 2zleM1 THR 4995 HA -0.00 0.11 0.96 -0.75 4.39 4.70 2zleM1 THR 4995 HB -0.00 -0.04 0.10 -0.04 4.32 4.33 2zleM1 THR 4995 HG23 -0.00 -0.02 0.10 -0.04 1.22 1.26 2zleM1 LEU 4996 H 0.00 0.40 0.35 -0.55 8.37 8.57 2zleM1 LEU 4996 HA 0.00 -0.02 0.95 -0.75 4.35 4.53 2zleM1 LEU 4996 HB2 0.01 -0.01 -0.03 -0.04 1.64 1.57 2zleM1 LEU 4996 HB3 0.00 0.15 0.28 -0.04 1.64 2.03 2zleM1 LEU 4996 HG -0.00 0.02 -0.23 -0.04 1.64 1.38 2zleM1 LEU 4996 HD13 0.00 -0.00 0.07 -0.04 0.93 0.95 2zleM1 LEU 4996 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.76 2zleM1 GLY 4997 H 0.01 0.19 0.15 -0.55 8.43 8.23 2zleM1 GLY 4997 HA2 0.01 0.08 0.89 -0.51 4.01 4.48 2zleM1 GLY 4997 HA3 0.01 0.04 0.36 -0.51 4.01 3.90 2zleM1 LEU 4998 H 0.01 0.40 0.52 -0.55 8.37 8.76 2zleM1 LEU 4998 HA 0.03 0.10 0.70 -0.75 4.35 4.43 2zleM1 LEU 4998 HB2 0.02 0.06 -0.11 -0.04 1.64 1.57 2zleM1 LEU 4998 HB3 0.03 -0.13 -0.03 -0.04 1.64 1.47 2zleM1 LEU 4998 HG 0.02 0.00 -0.22 -0.04 1.64 1.40 2zleM1 LEU 4998 HD13 0.02 0.00 -0.09 -0.04 0.93 0.81 2zleM1 LEU 4998 HD23 0.04 -0.00 -0.19 -0.04 0.89 0.69 2zleM1 LEU 4999 H 0.04 0.10 0.07 -0.55 8.37 8.03 2zleM1 LEU 4999 HA 0.02 -0.06 0.93 -0.75 4.35 4.49 2zleM1 LEU 4999 HB2 0.02 0.12 -0.22 -0.04 1.64 1.52 2zleM1 LEU 4999 HB3 0.03 -0.02 0.19 -0.04 1.64 1.80 2zleM1 LEU 4999 HG 0.01 -0.06 -0.07 -0.04 1.64 1.48 2zleM1 LEU 4999 HD13 0.01 0.03 -0.06 -0.04 0.93 0.86 2zleM1 LEU 4999 HD23 0.01 0.01 -0.31 -0.04 0.89 0.56 2zleM1 ARG 5000 H 0.02 -0.40 0.24 -0.55 8.46 7.77 2zleM1 ARG 5000 HA 0.03 0.27 0.73 -0.75 4.34 4.61 2zleM1 ARG 5000 HB2 0.02 -0.08 -0.06 -0.04 1.90 1.75 2zleM1 ARG 5000 HB3 0.01 -0.01 0.01 -0.04 1.80 1.77 2zleM1 ARG 5000 HG2 0.02 0.06 0.05 -0.04 1.67 1.76 2zleM1 ARG 5000 HG3 0.03 0.06 0.06 -0.04 1.67 1.78 2zleM1 ARG 5000 HD2 0.02 0.06 -0.01 -0.04 3.22 3.25 2zleM1 ARG 5000 HD3 0.02 -0.06 -0.03 -0.04 3.22 3.10 2zleM1 ASP 5001 H 0.01 -0.80 0.35 -0.55 8.40 7.42 2zleM1 ASP 5001 HA 0.01 0.20 0.59 -0.75 4.63 4.67 2zleM1 ASP 5001 HB2 0.01 0.01 -0.09 -0.04 2.71 2.60 2zleM1 ASP 5001 HB3 0.00 0.05 0.09 -0.04 2.70 2.81 2zleM1 GLY 5002 H 0.01 -0.54 0.26 -0.55 8.43 7.61 2zleM1 GLY 5002 HA2 0.01 0.14 0.36 -0.51 4.01 4.00 2zleM1 GLY 5002 HA3 0.01 0.22 0.72 -0.51 4.01 4.44 2zleM1 LYS 5003 H 0.01 -0.11 0.12 -0.55 8.42 7.89 2zleM1 LYS 5003 HA 0.01 0.23 0.80 -0.75 4.32 4.61 2zleM1 LYS 5003 HB2 0.01 -0.05 -0.09 -0.04 1.87 1.70 2zleM1 LYS 5003 HB3 0.01 0.12 -0.01 -0.04 1.79 1.86 2zleM1 LYS 5003 HG2 0.01 -0.45 0.05 -0.04 1.46 1.03 2zleM1 LYS 5003 HG3 0.01 0.11 -0.05 -0.04 1.46 1.49 2zleM1 LYS 5003 HD2 0.01 0.11 -0.05 -0.04 1.69 1.71 2zleM1 LYS 5003 HD3 0.01 0.07 -0.30 -0.04 1.68 1.42 2zleM1 LYS 5003 HE2 0.01 -0.15 -0.09 -0.04 2.99 2.71 2zleM1 LYS 5003 HE3 0.01 0.06 -0.07 -0.04 2.99 2.95 2zleM1 GLN 5004 H 0.01 0.31 0.20 -0.55 8.47 8.44 2zleM1 GLN 5004 HA 0.01 -0.03 0.88 -0.75 4.36 4.47 2zleM1 GLN 5004 HB2 0.01 0.04 -0.15 -0.04 2.15 2.01 2zleM1 GLN 5004 HB3 0.01 0.01 -0.02 -0.04 2.02 1.98 2zleM1 GLN 5004 HG2 0.00 0.02 -0.30 -0.04 2.40 2.08 2zleM1 GLN 5004 HG3 0.01 0.22 -0.18 -0.04 2.39 2.40 2zleM1 GLN 5004 HE21 0.00 -0.01 -0.14 -0.04 6.97 6.79 2zleM1 GLN 5004 HE22 0.00 0.02 -0.29 -0.04 7.69 7.38 2zleM1 VAL 5005 H 0.01 0.50 0.32 -0.55 8.24 8.51 2zleM1 VAL 5005 HA 0.00 0.18 0.88 -0.75 4.13 4.45 2zleM1 VAL 5005 HB 0.00 0.02 -0.08 -0.04 2.12 2.02 2zleM1 VAL 5005 HG13 0.00 0.01 0.12 -0.04 0.97 1.06 2zleM1 VAL 5005 HG23 0.00 0.03 -0.28 -0.04 0.95 0.66 2zleM1 ASN 5006 H -0.00 0.33 0.21 -0.55 8.53 8.52 2zleM1 ASN 5006 HA -0.00 0.02 0.84 -0.75 4.76 4.86 2zleM1 ASN 5006 HB2 -0.00 -0.01 -0.02 -0.04 2.88 2.81 2zleM1 ASN 5006 HB3 -0.00 -0.00 -0.08 -0.04 2.79 2.66 2zleM1 ASN 5006 HD21 -0.00 0.02 -0.04 -0.04 7.03 6.96 2zleM1 ASN 5006 HD22 -0.00 -0.01 -0.08 -0.04 7.74 7.61 2zleM1 VAL 5007 H -0.01 0.25 -0.01 -0.55 8.24 7.92 2zleM1 VAL 5007 HA -0.01 0.12 0.49 -0.75 4.13 3.98 2zleM1 VAL 5007 HB -0.01 -0.01 0.01 -0.04 2.12 2.07 2zleM1 VAL 5007 HG13 -0.00 0.00 -0.25 -0.04 0.97 0.68 2zleM1 VAL 5007 HG23 -0.00 -0.02 -0.27 -0.04 0.95 0.61 2zleM1 ASN 5008 H -0.01 0.20 0.14 -0.55 8.53 8.32 2zleM1 ASN 5008 HA -0.01 0.28 1.07 -0.75 4.76 5.34 2zleM1 ASN 5008 HB2 -0.01 0.08 -0.09 -0.04 2.88 2.82 2zleM1 ASN 5008 HB3 -0.01 -0.10 0.07 -0.04 2.79 2.71 2zleM1 ASN 5008 HD21 -0.01 -0.06 -0.13 -0.04 7.03 6.79 2zleM1 ASN 5008 HD22 -0.01 -0.08 0.02 -0.04 7.74 7.63 2zleM1 LEU 5009 H -0.02 0.31 0.08 -0.55 8.37 8.20 2zleM1 LEU 5009 HA -0.01 0.08 0.74 -0.75 4.35 4.40 2zleM1 LEU 5009 HB2 -0.02 0.09 -0.09 -0.04 1.64 1.58 2zleM1 LEU 5009 HB3 -0.02 -0.04 -0.10 -0.04 1.64 1.45 2zleM1 LEU 5009 HG -0.02 0.01 -0.11 -0.04 1.64 1.48 2zleM1 LEU 5009 HD13 -0.02 -0.01 -0.19 -0.04 0.93 0.67 2zleM1 LEU 5009 HD23 -0.02 -0.02 -0.37 -0.04 0.89 0.44 2zleM1 GLU 5010 H -0.02 0.21 0.25 -0.55 8.60 8.49 2zleM1 GLU 5010 HA -0.02 0.04 0.99 -0.75 4.29 4.55 2zleM1 GLU 5010 HB2 -0.02 -0.05 0.22 -0.04 2.09 2.20 2zleM1 GLU 5010 HB3 -0.02 0.03 0.05 -0.04 1.99 2.01 2zleM1 GLU 5010 HG2 -0.01 0.04 -0.06 -0.04 2.34 2.26 2zleM1 GLU 5010 HG3 -0.01 0.11 0.02 -0.04 2.34 2.42 2zleM1 LEU 5011 H -0.03 0.08 0.19 -0.55 8.37 8.06 2zleM1 LEU 5011 HA -0.03 -0.03 0.31 -0.75 4.35 3.85 2zleM1 LEU 5011 HB2 -0.04 -0.08 0.14 -0.04 1.64 1.63 2zleM1 LEU 5011 HB3 -0.02 0.18 0.12 -0.04 1.64 1.88 2zleM1 LEU 5011 HG -0.03 -0.05 0.05 -0.04 1.64 1.57 2zleM1 LEU 5011 HD13 -0.02 0.04 0.16 -0.04 0.93 1.07 2zleM1 LEU 5011 HD23 -0.05 0.03 0.02 -0.04 0.89 0.85 2zleM1 GLN 5012 H -0.02 0.52 0.44 -0.55 8.47 8.87 2zleM1 GLN 5012 HA -0.01 -0.03 0.54 -0.75 4.36 4.11 2zleM1 GLN 5012 HB2 -0.01 0.10 0.07 -0.04 2.15 2.26 2zleM1 GLN 5012 HB3 -0.01 0.05 0.21 -0.04 2.02 2.23 2zleM1 GLN 5012 HG2 -0.00 -0.55 0.14 -0.04 2.40 1.95 2zleM1 GLN 5012 HG3 -0.00 -0.01 0.18 -0.04 2.39 2.52 2zleM1 GLN 5012 HE21 0.00 0.03 0.02 -0.04 6.97 6.99 2zleM1 GLN 5012 HE22 0.01 -0.06 0.08 -0.04 7.69 7.67 2zleM1 GLN 5013 H -0.00 0.01 0.20 -0.55 8.47 8.13 2zleM1 GLN 5013 HA -0.00 0.37 0.89 -0.75 4.36 4.86 2zleM1 GLN 5013 HB2 -0.00 0.08 0.08 -0.04 2.15 2.27 2zleM1 GLN 5013 HB3 -0.00 0.01 0.01 -0.04 2.02 1.99 2zleM1 GLN 5013 HG2 0.00 0.04 -0.34 -0.04 2.40 2.06 2zleM1 GLN 5013 HG3 -0.00 0.03 -0.04 -0.04 2.39 2.34 2zleM1 GLN 5013 HE21 0.01 -0.04 -0.00 -0.04 6.97 6.89 2zleM1 GLN 5013 HE22 0.00 0.05 -0.02 -0.04 7.69 7.68 2zleM1 SER 5014 H 0.00 -0.07 0.05 -0.55 8.46 7.90 2zleM1 SER 5014 HA 0.00 0.14 0.44 -0.75 4.49 4.32 2zleM1 SER 5014 HB2 0.01 -0.06 0.15 -0.04 3.95 4.00 2zleM1 SER 5014 HB3 0.01 -0.03 -0.01 -0.04 3.93 3.85 2zleM1 SER 5015 H 0.00 0.02 -0.14 -0.55 8.46 7.80 2zleM1 SER 5015 HA 0.00 0.12 0.76 -0.75 4.49 4.63 2zleM1 SER 5015 HB2 0.00 0.11 0.24 -0.04 3.95 4.27 2zleM1 SER 5015 HB3 0.00 -0.17 0.23 -0.04 3.93 3.96 2zleM1 GLN 5016 H 0.00 0.24 0.19 -0.55 8.47 8.36 2zleM1 GLN 5016 HA -0.00 0.11 0.82 -0.75 4.36 4.54 2zleM1 GLN 5016 HB2 -0.00 -0.06 -0.06 -0.04 2.15 1.99 2zleM1 GLN 5016 HB3 -0.01 0.25 0.13 -0.04 2.02 2.34 2zleM1 GLN 5016 HG2 -0.00 -0.01 -0.10 -0.04 2.40 2.25 2zleM1 GLN 5016 HG3 -0.00 -0.14 -0.86 -0.04 2.39 1.35 2zleM1 GLN 5016 HE21 -0.01 -0.12 0.02 -0.04 6.97 6.82 2zleM1 GLN 5016 HE22 -0.01 -0.02 -0.03 -0.04 7.69 7.60 2zleM1 ASN 5017 H -0.01 0.53 0.16 -0.55 8.53 8.67 2zleM1 ASN 5017 HA -0.01 0.13 0.76 -0.75 4.76 4.89 2zleM1 ASN 5017 HB2 -0.01 -0.04 -0.11 -0.04 2.88 2.69 2zleM1 ASN 5017 HB3 -0.01 -0.07 -0.02 -0.04 2.79 2.65 2zleM1 ASN 5017 HD21 0.01 0.43 -0.08 -0.04 7.03 7.35 2zleM1 ASN 5017 HD22 0.00 -0.02 -0.13 -0.04 7.74 7.55 2zleM1 GLN 5018 H -0.02 -0.01 0.03 -0.55 8.47 7.92 2zleM1 GLN 5018 HA -0.05 0.33 0.86 -0.75 4.36 4.75 2zleM1 GLN 5018 HB2 -0.04 -0.08 0.07 -0.04 2.15 2.06 2zleM1 GLN 5018 HB3 -0.09 0.02 -0.05 -0.04 2.02 1.86 2zleM1 GLN 5018 HG2 -0.03 -0.01 -0.08 -0.04 2.40 2.24 2zleM1 GLN 5018 HG3 -0.03 0.26 -0.08 -0.04 2.39 2.50 2zleM1 GLN 5018 HE21 0.01 -0.02 -0.07 -0.04 6.97 6.84 2zleM1 GLN 5018 HE22 0.00 0.00 -0.06 -0.04 7.69 7.59 2zleM1 VAL 5019 H -0.10 0.23 0.10 -0.55 8.24 7.91 2zleM1 VAL 5019 HA -0.17 0.18 0.86 -0.75 4.13 4.25 2zleM1 VAL 5019 HB -0.52 -0.02 0.28 -0.04 2.12 1.82 2zleM1 VAL 5019 HG13 -0.60 -0.01 -0.01 -0.04 0.97 0.31 2zleM1 VAL 5019 HG23 -0.12 0.05 0.00 -0.04 0.95 0.84 2zleM1 ASP 5020 H -0.04 -0.09 -0.26 -0.55 8.40 7.47 2zleM1 ASP 5020 HA 0.01 0.38 0.75 -0.75 4.63 5.01 2zleM1 ASP 5020 HB2 0.02 0.19 0.08 -0.04 2.71 2.96 2zleM1 ASP 5020 HB3 0.00 -0.15 -0.04 -0.04 2.70 2.47 2zleM1 SER 5021 H -0.02 -0.00 -0.25 -0.55 8.46 7.65 2zleM1 SER 5021 HA 0.01 0.17 0.51 -0.75 4.49 4.42 2zleM1 SER 5021 HB2 -0.01 -0.01 -0.01 -0.04 3.95 3.89 2zleM1 SER 5021 HB3 0.00 0.01 -0.10 -0.04 3.93 3.80 2zleM1 SER 5022 H -0.00 0.05 -0.21 -0.55 8.46 7.75 2zleM1 SER 5022 HA 0.02 0.18 0.65 -0.75 4.49 4.58 2zleM1 SER 5022 HB2 0.01 -0.04 0.04 -0.04 3.95 3.92 2zleM1 SER 5022 HB3 0.02 0.04 -0.00 -0.04 3.93 3.95 2zleM1 SER 5023 H 0.03 0.37 0.01 -0.55 8.46 8.32 2zleM1 SER 5023 HA 0.04 0.05 0.18 -0.75 4.49 4.00 2zleM1 SER 5023 HB2 0.03 -0.04 0.09 -0.04 3.95 3.99 2zleM1 SER 5023 HB3 0.03 0.04 0.12 -0.04 3.93 4.07 2zleM1 ILE 5024 H 0.04 -0.18 -1.14 -0.55 8.25 6.42 2zleM1 ILE 5024 HA 0.07 0.04 0.42 -0.75 4.18 3.96 2zleM1 ILE 5024 HB 0.05 -0.00 0.04 -0.04 1.89 1.93 2zleM1 ILE 5024 HG12 0.07 -0.01 0.07 -0.04 1.49 1.57 2zleM1 ILE 5024 HG13 0.12 0.06 0.08 -0.04 1.21 1.43 2zleM1 ILE 5024 HG23 0.05 -0.15 0.04 -0.04 0.93 0.83 2zleM1 ILE 5024 HD13 0.05 0.00 0.01 -0.04 0.88 0.90 2zleM1 PHE 5025 H 0.13 0.18 0.15 -0.55 8.34 8.24 2zleM1 PHE 5025 HA 0.01 0.13 0.48 -0.75 4.62 4.49 2zleM1 PHE 5025 HB2 0.01 0.33 0.11 -0.04 3.15 3.56 2zleM1 PHE 5025 HB3 0.01 -0.08 -0.12 -0.04 3.06 2.82 2zleM1 PHE 5025 HD2 0.01 0.05 -0.14 -0.04 7.28 7.16 2zleM1 PHE 5025 HE2 0.01 0.03 0.03 -0.04 7.38 7.40 2zleM1 PHE 5025 HZ 0.01 -0.04 0.02 -0.04 7.32 7.28 2zleM1 ASN 5026 H -1.05 0.11 0.12 -0.55 8.53 7.16 2zleM1 ASN 5026 HA -0.01 0.15 0.40 -0.75 4.76 4.55 2zleM1 ASN 5026 HB2 -0.16 0.08 0.08 -0.04 2.88 2.85 2zleM1 ASN 5026 HB3 -0.07 -0.10 0.02 -0.04 2.79 2.59 2zleM1 ASN 5026 HD21 0.01 0.05 -0.07 -0.04 7.03 6.97 2zleM1 ASN 5026 HD22 -0.00 -0.16 -0.19 -0.04 7.74 7.34 2zleM1 GLU 5027 HA -0.02 0.36 0.42 -0.75 4.29 4.30 2zleM1 GLU 5027 HB2 -0.02 0.05 0.10 -0.04 2.09 2.18 2zleM1 GLU 5027 HB3 -0.01 0.00 0.12 -0.04 1.99 2.06 2zleM1 GLU 5027 HG2 -0.02 0.03 0.07 -0.04 2.34 2.37 2zleM1 GLU 5027 HG3 -0.03 -0.12 0.12 -0.04 2.34 2.27 2zleM1 MET 5028 H -0.02 0.01 0.01 -0.55 8.47 7.92 2zleM1 MET 5028 HA -0.01 0.00 0.80 -0.75 4.52 4.56 2zleM1 MET 5028 HB2 -0.01 -0.09 -0.05 -0.04 2.15 1.97 2zleM1 MET 5028 HB3 -0.00 0.06 -0.06 -0.04 2.03 1.98 2zleM1 MET 5028 HG2 -0.01 0.03 -0.12 -0.04 2.63 2.49 2zleM1 MET 5028 HG3 -0.01 -0.00 -0.09 -0.04 2.56 2.42 2zleM1 MET 5028 HE3 -0.00 -0.02 -0.09 -0.04 2.10 1.94 2zleM1 SER 5029 H -0.00 0.57 0.22 -0.55 8.46 8.70 2zleM1 SER 5029 HA -0.00 -0.03 0.39 -0.75 4.49 4.10 2zleM1 SER 5029 HB2 -0.01 -0.02 0.22 -0.04 3.95 4.11 2zleM1 SER 5029 HB3 -0.01 0.16 -0.05 -0.04 3.93 3.99 2zleM1 ASN 5030 H -0.01 0.12 0.14 -0.55 8.53 8.23 2zleM1 ASN 5030 HA -0.01 0.09 0.80 -0.75 4.76 4.89 2zleM1 ASN 5030 HB2 -0.03 -0.06 0.08 -0.04 2.88 2.82 2zleM1 ASN 5030 HB3 -0.04 0.21 0.08 -0.04 2.79 3.00 2zleM1 ASN 5030 HD21 0.06 0.22 -0.09 -0.04 7.03 7.18 2zleM1 ASN 5030 HD22 0.00 -0.03 -0.11 -0.04 7.74 7.57 2zleM1 LYS 5031 H -0.02 0.49 0.26 -0.55 8.42 8.60 2zleM1 LYS 5031 HA -0.02 0.08 0.96 -0.75 4.32 4.59 2zleM1 LYS 5031 HB2 -0.01 -0.11 -0.03 -0.04 1.87 1.68 2zleM1 LYS 5031 HB3 -0.01 0.21 0.02 -0.04 1.79 1.97 2zleM1 LYS 5031 HG2 -0.01 -0.01 -0.05 -0.04 1.46 1.36 2zleM1 LYS 5031 HG3 -0.01 -0.03 -0.20 -0.04 1.46 1.18 2zleM1 LYS 5031 HD2 -0.02 -0.07 0.13 -0.04 1.69 1.69 2zleM1 LYS 5031 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 2zleM1 LYS 5031 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.92 2zleM1 LYS 5031 HE3 -0.01 -0.05 -0.00 -0.04 2.99 2.88 2zleM1 GLY 5032 H -0.03 0.01 0.16 -0.55 8.43 8.03 2zleM1 GLY 5032 HA2 -0.04 -0.08 0.36 -0.51 4.01 3.74 2zleM1 GLY 5032 HA3 -0.03 -0.01 0.39 -0.51 4.01 3.86 2zleM1 LYS 5033 H -0.03 0.03 0.14 -0.55 8.42 8.00 2zleM1 LYS 5033 HA -0.07 0.08 0.39 -0.75 4.32 3.97 2zleM1 LYS 5033 HB2 -0.02 -0.18 0.21 -0.04 1.87 1.83 2zleM1 LYS 5033 HB3 -0.04 0.05 0.13 -0.04 1.79 1.89 2zleM1 LYS 5033 HG2 -0.02 0.00 0.05 -0.04 1.46 1.45 2zleM1 LYS 5033 HG3 -0.02 0.03 0.04 -0.04 1.46 1.47 2zleM1 LYS 5033 HD2 -0.03 0.07 0.03 -0.04 1.69 1.72 2zleM1 LYS 5033 HD3 -0.03 -0.17 0.12 -0.04 1.68 1.56 2zleM1 LYS 5033 HE2 -0.02 -0.01 0.04 -0.04 2.99 2.97 2zleM1 LYS 5033 HE3 -0.02 0.03 0.03 -0.04 2.99 2.99 2zleM1 ASP 5034 H -0.02 0.08 0.12 -0.55 8.40 8.03 2zleM1 ASP 5034 HA -0.01 0.32 0.56 -0.75 4.63 4.75 2zleM1 ASP 5034 HB2 0.01 -0.02 0.24 -0.04 2.71 2.89 2zleM1 ASP 5034 HB3 0.02 -0.09 0.26 -0.04 2.70 2.85 2zleM1 GLN 5035 H -0.02 1.04 -0.28 -0.55 8.47 8.68 2zleM1 GLN 5035 HA -0.00 0.09 0.85 -0.75 4.36 4.54 2zleM1 GLN 5035 HB2 -0.01 0.14 0.03 -0.04 2.15 2.27 2zleM1 GLN 5035 HB3 -0.01 -0.05 0.12 -0.04 2.02 2.04 2zleM1 GLN 5035 HG2 -0.01 0.03 -0.12 -0.04 2.40 2.27 2zleM1 GLN 5035 HG3 -0.01 -0.14 -0.31 -0.04 2.39 1.88 2zleM1 GLN 5035 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.92 2zleM1 GLN 5035 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 2zleM1 GLY 5036 H 0.01 0.07 -0.19 -0.55 8.43 7.77 2zleM1 GLY 5036 HA2 0.01 0.53 0.41 -0.51 4.01 4.46 2zleM1 GLY 5036 HA3 0.00 -0.10 0.31 -0.51 4.01 3.72 2zleM1 VAL 5037 H 0.01 0.07 0.04 -0.55 8.24 7.81 2zleM1 VAL 5037 HA 0.00 0.16 1.05 -0.75 4.13 4.59 2zleM1 VAL 5037 HB 0.01 0.00 0.09 -0.04 2.12 2.18 2zleM1 VAL 5037 HG13 0.00 0.02 -0.23 -0.04 0.97 0.72 2zleM1 VAL 5037 HG23 0.02 0.01 -0.37 -0.04 0.95 0.56 2zleM1 VAL 5038 H -0.01 0.18 0.03 -0.55 8.24 7.90 2zleM1 VAL 5038 HA -0.01 0.06 0.48 -0.75 4.13 3.91 2zleM1 VAL 5038 HB -0.01 0.00 -0.07 -0.04 2.12 2.00 2zleM1 VAL 5038 HG13 -0.01 0.00 -0.32 -0.04 0.97 0.60 2zleM1 VAL 5038 HG23 -0.01 -0.02 -0.14 -0.04 0.95 0.75 2zleM1 VAL 5039 H -0.01 0.34 0.10 -0.55 8.24 8.12 2zleM1 VAL 5039 HA -0.01 -0.02 0.68 -0.75 4.13 4.03 2zleM1 VAL 5039 HB -0.01 -0.04 0.00 -0.04 2.12 2.04 2zleM1 VAL 5039 HG13 -0.01 0.14 -0.02 -0.04 0.97 1.04 2zleM1 VAL 5039 HG23 -0.01 0.07 -0.23 -0.04 0.95 0.74 2zleM1 ASN 5040 H -0.01 0.35 0.13 -0.55 8.53 8.46 2zleM1 ASN 5040 HA -0.01 0.25 0.88 -0.75 4.76 5.12 2zleM1 ASN 5040 HB2 -0.01 0.29 0.17 -0.04 2.88 3.29 2zleM1 ASN 5040 HB3 -0.01 -0.29 0.23 -0.04 2.79 2.68 2zleM1 ASN 5040 HD21 -0.01 -0.01 -0.17 -0.04 7.03 6.80 2zleM1 ASN 5040 HD22 -0.01 0.03 -0.12 -0.04 7.74 7.60 2zleM1 ASN 5041 H -0.01 0.05 0.14 -0.55 8.53 8.17 2zleM1 ASN 5041 HA -0.01 -0.07 0.42 -0.75 4.76 4.35 2zleM1 ASN 5041 HB2 -0.01 -0.01 0.19 -0.04 2.88 3.01 2zleM1 ASN 5041 HB3 -0.00 0.06 0.04 -0.04 2.79 2.85 2zleM1 ASN 5041 HD21 -0.01 -0.03 0.03 -0.04 7.03 6.99 2zleM1 ASN 5041 HD22 -0.01 0.02 0.07 -0.04 7.74 7.78 2zleM1 VAL 5042 H -0.01 0.02 0.22 -0.55 8.24 7.92 2zleM1 VAL 5042 HA -0.01 0.10 0.49 -0.75 4.13 3.96 2zleM1 VAL 5042 HB -0.00 -0.16 0.11 -0.04 2.12 2.02 2zleM1 VAL 5042 HG13 -0.01 0.07 0.02 -0.04 0.97 1.01 2zleM1 VAL 5042 HG23 -0.00 -0.02 -0.03 -0.04 0.95 0.85 2zleM1 LYS 5043 H -0.00 -0.02 0.14 -0.55 8.42 7.98 2zleM1 LYS 5043 HA 0.00 0.33 0.91 -0.75 4.32 4.81 2zleM1 LYS 5043 HB2 0.00 -0.03 0.18 -0.04 1.87 1.97 2zleM1 LYS 5043 HB3 0.01 -0.38 0.30 -0.04 1.79 1.68 2zleM1 LYS 5043 HG2 -0.00 0.14 -0.02 -0.04 1.46 1.53 2zleM1 LYS 5043 HG3 0.00 0.00 0.07 -0.04 1.46 1.50 2zleM1 LYS 5043 HD2 0.00 0.17 -0.06 -0.04 1.69 1.75 2zleM1 LYS 5043 HD3 0.00 0.04 -0.01 -0.04 1.68 1.67 2zleM1 LYS 5043 HE2 0.01 0.00 0.06 -0.04 2.99 3.02 2zleM1 LYS 5043 HE3 0.01 -0.29 0.17 -0.04 2.99 2.83 2zleM1 THR 5044 H 0.01 0.11 0.19 -0.55 8.28 8.05 2zleM1 THR 5044 HA 0.01 0.24 0.76 -0.75 4.39 4.64 2zleM1 THR 5044 HB 0.02 -0.03 0.11 -0.04 4.32 4.37 2zleM1 THR 5044 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 2zleM1 GLY 5045 H 0.02 0.04 0.13 -0.55 8.43 8.08 2zleM1 GLY 5045 HA2 0.03 0.13 0.45 -0.51 4.01 4.10 2zleM1 GLY 5045 HA3 0.04 0.04 0.33 -0.51 4.01 3.90 2zleM1 THR 5046 H 0.02 -0.10 -0.55 -0.55 8.28 7.09 2zleM1 THR 5046 HA 0.01 -0.10 0.19 -0.75 4.39 3.73 2zleM1 THR 5046 HB 0.01 -0.17 0.14 -0.04 4.32 4.26 2zleM1 THR 5046 HG23 0.01 0.02 -0.10 -0.04 1.22 1.10 2zleM1 PRO 5047 HA 0.04 0.17 0.45 -0.51 4.44 4.59 2zleM1 PRO 5047 HB2 0.04 -0.05 0.05 -0.04 2.28 2.28 2zleM1 PRO 5047 HB3 0.08 0.10 0.07 -0.04 2.02 2.24 2zleM1 PRO 5047 HG2 0.10 0.17 0.01 -0.04 2.03 2.26 2zleM1 PRO 5047 HG3 0.07 0.13 -0.07 -0.04 2.03 2.12 2zleM1 PRO 5047 HD2 0.02 0.03 0.05 -0.04 3.68 3.73 2zleM1 PRO 5047 HD3 0.04 -0.14 -0.70 -0.04 3.65 2.81 2zleM1 ALA 5048 H 0.00 0.04 -0.19 -0.55 8.40 7.71 2zleM1 ALA 5048 HA 0.01 0.23 0.65 -0.75 4.34 4.47 2zleM1 ALA 5048 HB3 -0.01 0.02 -0.04 -0.04 1.41 1.33 2zleM1 ALA 5049 H 0.00 -0.05 -0.20 -0.55 8.40 7.61 2zleM1 ALA 5049 HA -0.00 0.42 0.61 -0.75 4.34 4.61 2zleM1 ALA 5049 HB3 0.00 0.00 0.08 -0.04 1.41 1.45 2zleM1 GLN 5050 H 0.01 0.52 -0.20 -0.55 8.47 8.25 2zleM1 GLN 5050 HA 0.01 -0.00 0.35 -0.75 4.36 3.96 2zleM1 GLN 5050 HB2 0.02 0.14 0.15 -0.04 2.15 2.42 2zleM1 GLN 5050 HB3 0.02 -0.05 0.01 -0.04 2.02 1.96 2zleM1 GLN 5050 HG2 0.01 -0.09 0.07 -0.04 2.40 2.35 2zleM1 GLN 5050 HG3 0.01 0.02 0.09 -0.04 2.39 2.47 2zleM1 GLN 5050 HE21 0.02 -0.04 -0.01 -0.04 6.97 6.90 2zleM1 GLN 5050 HE22 0.02 0.02 -0.01 -0.04 7.69 7.67 2zleM1 ILE 5051 H 0.01 0.16 -1.18 -0.55 8.25 6.70 2zleM1 ILE 5051 HA 0.01 0.14 0.75 -0.75 4.18 4.33 2zleM1 ILE 5051 HB 0.02 0.09 0.05 -0.04 1.89 2.01 2zleM1 ILE 5051 HG12 0.02 0.04 0.03 -0.04 1.49 1.54 2zleM1 ILE 5051 HG13 0.02 -0.09 0.15 -0.04 1.21 1.24 2zleM1 ILE 5051 HG23 0.01 0.19 0.01 -0.04 0.93 1.10 2zleM1 ILE 5051 HD13 0.02 -0.02 0.05 -0.04 0.88 0.89 2zleM1 GLY 5052 H 0.00 0.43 -0.40 -0.55 8.43 7.92 2zleM1 GLY 5052 HA2 -0.00 -0.01 0.24 -0.51 4.01 3.73 2zleM1 GLY 5052 HA3 -0.00 0.02 0.48 -0.51 4.01 4.00 2zleM1 LEU 5053 H -0.00 0.29 -0.01 -0.55 8.37 8.10 2zleM1 LEU 5053 HA -0.01 0.05 0.90 -0.75 4.35 4.54 2zleM1 LEU 5053 HB2 -0.00 0.22 0.04 -0.04 1.64 1.85 2zleM1 LEU 5053 HB3 -0.01 0.04 -0.08 -0.04 1.64 1.55 2zleM1 LEU 5053 HG -0.01 -0.03 -0.09 -0.04 1.64 1.48 2zleM1 LEU 5053 HD13 -0.00 0.04 -0.46 -0.04 0.93 0.46 2zleM1 LEU 5053 HD23 -0.00 -0.00 -0.08 -0.04 0.89 0.77 2zleM1 LYS 5054 H -0.01 0.08 0.02 -0.55 8.42 7.96 2zleM1 LYS 5054 HA -0.01 0.15 0.45 -0.75 4.32 4.16 2zleM1 LYS 5054 HB2 -0.01 0.06 0.06 -0.04 1.87 1.95 2zleM1 LYS 5054 HB3 -0.01 -0.06 0.09 -0.04 1.79 1.76 2zleM1 LYS 5054 HG2 -0.01 -0.34 0.19 -0.04 1.46 1.25 2zleM1 LYS 5054 HG3 -0.01 0.10 0.06 -0.04 1.46 1.56 2zleM1 LYS 5054 HD2 -0.01 0.04 0.03 -0.04 1.69 1.71 2zleM1 LYS 5054 HD3 -0.01 0.01 0.06 -0.04 1.68 1.69 2zleM1 LYS 5054 HE2 -0.01 -0.02 0.04 -0.04 2.99 2.97 2zleM1 LYS 5054 HE3 -0.01 0.03 0.02 -0.04 2.99 3.00 2zleM1 LYS 5055 H -0.01 0.06 0.12 -0.55 8.42 8.03 2zleM1 LYS 5055 HA -0.01 0.28 0.62 -0.75 4.32 4.46 2zleM1 LYS 5055 HB2 -0.01 -0.05 0.07 -0.04 1.87 1.84 2zleM1 LYS 5055 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.75 2zleM1 LYS 5055 HG2 -0.01 -0.00 0.00 -0.04 1.46 1.41 2zleM1 LYS 5055 HG3 -0.01 -0.04 -0.01 -0.04 1.46 1.36 2zleM1 LYS 5055 HD2 -0.01 -0.02 0.00 -0.04 1.69 1.63 2zleM1 LYS 5055 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 2zleM1 LYS 5055 HE2 -0.00 0.03 0.00 -0.04 2.99 2.97 2zleM1 LYS 5055 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.94 2zleM1 GLY 5056 H -0.01 -0.03 -0.08 -0.55 8.43 7.76 2zleM1 GLY 5056 HA2 -0.01 0.45 0.84 -0.51 4.01 4.77 2zleM1 GLY 5056 HA3 -0.01 -0.02 0.35 -0.51 4.01 3.81 2zleM1 ASP 5057 H -0.01 0.37 -0.18 -0.55 8.40 8.03 2zleM1 ASP 5057 HA -0.02 0.03 0.95 -0.75 4.63 4.84 2zleM1 ASP 5057 HB2 -0.01 0.08 0.05 -0.04 2.71 2.79 2zleM1 ASP 5057 HB3 -0.02 0.08 -0.02 -0.04 2.70 2.70 2zleM1 VAL 5058 H -0.01 0.21 -0.03 -0.55 8.24 7.85 2zleM1 VAL 5058 HA -0.01 0.25 0.45 -0.75 4.13 4.07 2zleM1 VAL 5058 HB -0.01 0.07 0.08 -0.04 2.12 2.23 2zleM1 VAL 5058 HG13 -0.00 -0.03 -0.11 -0.04 0.97 0.79 2zleM1 VAL 5058 HG23 -0.01 -0.00 -0.01 -0.04 0.95 0.89 2zleM1 ILE 5059 H 0.00 0.04 0.04 -0.55 8.25 7.78 2zleM1 ILE 5059 HA 0.01 0.17 0.75 -0.75 4.18 4.36 2zleM1 ILE 5059 HB 0.01 -0.01 0.14 -0.04 1.89 1.98 2zleM1 ILE 5059 HG12 0.00 0.05 -0.17 -0.04 1.49 1.34 2zleM1 ILE 5059 HG13 -0.00 0.11 -0.55 -0.04 1.21 0.73 2zleM1 ILE 5059 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.73 2zleM1 ILE 5059 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.71 2zleM1 ILE 5060 H 0.02 0.25 0.09 -0.55 8.25 8.06 2zleM1 ILE 5060 HA 0.02 0.21 0.63 -0.75 4.18 4.29 2zleM1 ILE 5060 HB 0.02 0.08 -0.04 -0.04 1.89 1.91 2zleM1 ILE 5060 HG12 0.01 -0.03 0.03 -0.04 1.49 1.45 2zleM1 ILE 5060 HG13 0.01 0.05 -0.03 -0.04 1.21 1.20 2zleM1 ILE 5060 HG23 0.02 -0.02 0.02 -0.04 0.93 0.91 2zleM1 ILE 5060 HD13 0.01 -0.02 -0.20 -0.04 0.88 0.62 2zleM1 GLY 5061 H 0.04 0.26 -0.05 -0.55 8.43 8.14 2zleM1 GLY 5061 HA2 0.04 0.44 0.80 -0.51 4.01 4.79 2zleM1 GLY 5061 HA3 0.07 0.00 0.35 -0.51 4.01 3.92 2zleM1 ALA 5062 H 0.03 1.49 -0.01 -0.55 8.40 9.37 2zleM1 ALA 5062 HA 0.02 0.15 0.28 -0.75 4.34 4.04 2zleM1 ALA 5062 HB3 0.02 -0.02 -0.18 -0.04 1.41 1.18 2zleM1 ASN 5063 H 0.04 0.63 -0.09 -0.55 8.53 8.56 2zleM1 ASN 5063 HA 0.04 0.51 0.37 -0.75 4.76 4.93 2zleM1 ASN 5063 HB2 0.02 -0.03 -0.12 -0.04 2.88 2.71 2zleM1 ASN 5063 HB3 0.02 0.21 -0.10 -0.04 2.79 2.88 2zleM1 ASN 5063 HD21 0.02 0.26 0.11 -0.04 7.03 7.37 2zleM1 ASN 5063 HD22 0.03 0.41 0.24 -0.04 7.74 8.38 2zleM1 GLN 5064 H 0.02 -0.18 -1.16 -0.55 8.47 6.60 2zleM1 GLN 5064 HA -0.01 0.03 0.27 -0.75 4.36 3.89 2zleM1 GLN 5064 HB2 -0.01 -0.08 0.05 -0.04 2.15 2.07 2zleM1 GLN 5064 HB3 -0.01 0.34 0.31 -0.04 2.02 2.62 2zleM1 GLN 5064 HG2 0.01 -0.19 -0.07 -0.04 2.40 2.10 2zleM1 GLN 5064 HG3 -0.00 -0.07 -0.11 -0.04 2.39 2.16 2zleM1 GLN 5064 HE21 0.00 0.01 0.01 -0.04 6.97 6.95 2zleM1 GLN 5064 HE22 0.00 -0.08 -0.02 -0.04 7.69 7.55 2zleM1 GLN 5065 H 0.01 0.38 -0.08 -0.55 8.47 8.24 2zleM1 GLN 5065 HA 0.01 0.29 0.89 -0.75 4.36 4.79 2zleM1 GLN 5065 HB2 0.01 0.13 0.14 -0.04 2.15 2.38 2zleM1 GLN 5065 HB3 0.01 -0.16 0.27 -0.04 2.02 2.10 2zleM1 GLN 5065 HG2 0.01 0.05 0.00 -0.04 2.40 2.42 2zleM1 GLN 5065 HG3 0.00 0.05 -0.02 -0.04 2.39 2.38 2zleM1 GLN 5065 HE21 0.01 -0.00 0.03 -0.04 6.97 6.96 2zleM1 GLN 5065 HE22 0.00 0.01 0.01 -0.04 7.69 7.68 2zleM1 ALA 5066 H 0.01 0.15 0.20 -0.55 8.40 8.21 2zleM1 ALA 5066 HA 0.02 0.39 0.84 -0.75 4.34 4.84 2zleM1 ALA 5066 HB3 0.02 0.00 0.14 -0.04 1.41 1.52 2zleM1 VAL 5067 H 0.02 0.62 0.16 -0.55 8.24 8.48 2zleM1 VAL 5067 HA 0.02 0.09 0.81 -0.75 4.13 4.30 2zleM1 VAL 5067 HB 0.02 0.05 -0.24 -0.04 2.12 1.90 2zleM1 VAL 5067 HG13 0.02 -0.04 -0.02 -0.04 0.97 0.88 2zleM1 VAL 5067 HG23 0.02 -0.02 -0.36 -0.04 0.95 0.55 2zleM1 LYS 5068 H 0.03 0.21 -0.05 -0.55 8.42 8.05 2zleM1 LYS 5068 HA 0.02 -0.08 0.49 -0.75 4.32 3.99 2zleM1 LYS 5068 HB2 0.02 -0.03 0.20 -0.04 1.87 2.03 2zleM1 LYS 5068 HB3 0.02 0.05 0.16 -0.04 1.79 1.97 2zleM1 LYS 5068 HG2 0.04 -0.10 0.10 -0.04 1.46 1.45 2zleM1 LYS 5068 HG3 0.05 0.03 -0.06 -0.04 1.46 1.44 2zleM1 LYS 5068 HD2 0.02 -0.00 0.05 -0.04 1.69 1.72 2zleM1 LYS 5068 HD3 0.03 0.02 0.03 -0.04 1.68 1.72 2zleM1 LYS 5068 HE2 0.05 0.01 0.04 -0.04 2.99 3.05 2zleM1 LYS 5068 HE3 0.03 0.01 0.09 -0.04 2.99 3.08 2zleM1 ASN 5069 H 0.03 0.05 -0.25 -0.55 8.53 7.81 2zleM1 ASN 5069 HA 0.03 0.25 0.33 -0.75 4.76 4.62 2zleM1 ASN 5069 HB2 0.10 0.14 0.19 -0.04 2.88 3.27 2zleM1 ASN 5069 HB3 0.07 0.22 -0.10 -0.04 2.79 2.94 2zleM1 ASN 5069 HD21 0.14 0.05 -0.01 -0.04 7.03 7.16 2zleM1 ASN 5069 HD22 0.19 0.07 -0.06 -0.04 7.74 7.89 2zleM1 ILE 5070 H 0.04 0.32 0.11 -0.55 8.25 8.16 2zleM1 ILE 5070 HA 0.02 0.01 0.30 -0.75 4.18 3.75 2zleM1 ILE 5070 HB 0.03 0.15 0.11 -0.04 1.89 2.14 2zleM1 ILE 5070 HG12 0.01 -0.00 -0.10 -0.04 1.49 1.37 2zleM1 ILE 5070 HG13 0.02 -0.04 -0.00 -0.04 1.21 1.15 2zleM1 ILE 5070 HG23 0.01 0.02 -0.07 -0.04 0.93 0.85 2zleM1 ILE 5070 HD13 0.01 -0.01 -0.23 -0.04 0.88 0.61 2zleM1 ALA 5071 H 0.06 0.17 -0.51 -0.55 8.40 7.57 2zleM1 ALA 5071 HA 0.02 0.20 0.34 -0.75 4.34 4.15 2zleM1 ALA 5071 HB3 0.00 -0.02 -0.21 -0.04 1.41 1.15 2zleM1 GLU 5072 H 0.03 0.05 -0.23 -0.55 8.60 7.91 2zleM1 GLU 5072 HA 0.02 0.09 0.38 -0.75 4.29 4.02 2zleM1 GLU 5072 HB2 0.03 -0.04 0.21 -0.04 2.09 2.25 2zleM1 GLU 5072 HB3 0.02 0.12 0.04 -0.04 1.99 2.13 2zleM1 GLU 5072 HG2 0.02 0.05 0.04 -0.04 2.34 2.41 2zleM1 GLU 5072 HG3 0.03 -0.00 0.02 -0.04 2.34 2.35 2zleM1 LEU 5073 H 0.02 0.62 0.02 -0.55 8.37 8.49 2zleM1 LEU 5073 HA 0.02 -0.00 0.31 -0.75 4.35 3.92 2zleM1 LEU 5073 HB2 0.02 0.01 -0.03 -0.04 1.64 1.61 2zleM1 LEU 5073 HB3 0.02 -0.02 0.05 -0.04 1.64 1.65 2zleM1 LEU 5073 HG 0.01 0.01 -0.11 -0.04 1.64 1.51 2zleM1 LEU 5073 HD13 0.01 0.01 -0.36 -0.04 0.93 0.55 2zleM1 LEU 5073 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.76 2zleM1 ARG 5074 H 0.02 0.52 -0.27 -0.55 8.46 8.18 2zleM1 ARG 5074 HA 0.02 0.12 0.42 -0.75 4.34 4.14 2zleM1 ARG 5074 HB2 0.02 -0.09 0.17 -0.04 1.90 1.95 2zleM1 ARG 5074 HB3 0.02 0.12 0.10 -0.04 1.80 2.00 2zleM1 ARG 5074 HG2 0.03 -0.07 -0.04 -0.04 1.67 1.54 2zleM1 ARG 5074 HG3 0.02 0.18 0.17 -0.04 1.67 2.00 2zleM1 ARG 5074 HD2 0.03 0.06 0.03 -0.04 3.22 3.29 2zleM1 ARG 5074 HD3 0.02 -0.16 -0.01 -0.04 3.22 3.02 2zleM1 LYS 5075 H 0.02 0.27 -0.66 -0.55 8.42 7.49 2zleM1 LYS 5075 HA 0.02 0.03 0.45 -0.75 4.32 4.06 2zleM1 LYS 5075 HB2 0.01 0.11 0.14 -0.04 1.87 2.10 2zleM1 LYS 5075 HB3 0.01 0.23 0.24 -0.04 1.79 2.24 2zleM1 LYS 5075 HG2 0.01 -0.07 -0.02 -0.04 1.46 1.34 2zleM1 LYS 5075 HG3 0.01 -0.04 0.11 -0.04 1.46 1.51 2zleM1 LYS 5075 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 2zleM1 LYS 5075 HD3 0.01 -0.05 -0.04 -0.04 1.68 1.56 2zleM1 LYS 5075 HE2 0.01 -0.04 -0.00 -0.04 2.99 2.91 2zleM1 LYS 5075 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 2zleM1 VAL 5076 H 0.02 0.52 -0.26 -0.55 8.24 7.97 2zleM1 VAL 5076 HA 0.01 0.08 0.85 -0.75 4.13 4.32 2zleM1 VAL 5076 HB 0.02 0.11 0.09 -0.04 2.12 2.30 2zleM1 VAL 5076 HG13 0.01 0.03 -0.04 -0.04 0.97 0.93 2zleM1 VAL 5076 HG23 0.01 0.03 -0.04 -0.04 0.95 0.92 2zleM1 LEU 5077 H 0.02 0.46 0.06 -0.55 8.37 8.37 2zleM1 LEU 5077 HA 0.02 0.10 0.34 -0.75 4.35 4.05 2zleM1 LEU 5077 HB2 0.02 0.24 0.15 -0.04 1.64 2.01 2zleM1 LEU 5077 HB3 0.02 -0.13 0.19 -0.04 1.64 1.67 2zleM1 LEU 5077 HG 0.02 0.19 -0.08 -0.04 1.64 1.73 2zleM1 LEU 5077 HD13 0.02 -0.01 -0.21 -0.04 0.93 0.68 2zleM1 LEU 5077 HD23 0.02 -0.02 -0.17 -0.04 0.89 0.68 2zleM1 ASP 5078 H 0.02 -0.13 -1.34 -0.55 8.40 6.39 2zleM1 ASP 5078 HA 0.02 0.13 0.75 -0.75 4.63 4.78 2zleM1 ASP 5078 HB2 0.02 0.05 -0.07 -0.04 2.71 2.67 2zleM1 ASP 5078 HB3 0.02 0.11 -0.05 -0.04 2.70 2.73 2zleM1 SER 5079 H 0.01 0.07 -0.07 -0.55 8.46 7.93 2zleM1 SER 5079 HA 0.01 0.12 0.71 -0.75 4.49 4.57 2zleM1 SER 5079 HB2 0.01 -0.07 0.09 -0.04 3.95 3.93 2zleM1 SER 5079 HB3 0.01 0.08 0.17 -0.04 3.93 4.15 2zleM1 LYS 5080 H 0.01 0.41 0.09 -0.55 8.42 8.38 2zleM1 LYS 5080 HA 0.01 0.22 0.97 -0.75 4.32 4.76 2zleM1 LYS 5080 HB2 0.01 -0.09 0.15 -0.04 1.87 1.90 2zleM1 LYS 5080 HB3 0.01 -0.01 0.02 -0.04 1.79 1.77 2zleM1 LYS 5080 HG2 0.01 -0.02 0.14 -0.04 1.46 1.55 2zleM1 LYS 5080 HG3 0.01 0.07 0.17 -0.04 1.46 1.68 2zleM1 LYS 5080 HD2 0.01 -0.06 0.05 -0.04 1.69 1.65 2zleM1 LYS 5080 HD3 0.01 0.02 0.05 -0.04 1.68 1.72 2zleM1 LYS 5080 HE2 0.01 0.23 0.18 -0.04 2.99 3.36 2zleM1 LYS 5080 HE3 0.01 -0.14 0.11 -0.04 2.99 2.92 2zleM1 PRO 5081 HA 0.02 0.11 0.29 -0.51 4.44 4.35 2zleM1 PRO 5081 HB2 0.01 -0.02 -0.04 -0.04 2.28 2.19 2zleM1 PRO 5081 HB3 0.02 0.03 0.02 -0.04 2.02 2.05 2zleM1 PRO 5081 HG2 0.01 0.06 -0.12 -0.04 2.03 1.95 2zleM1 PRO 5081 HG3 0.02 0.06 -0.36 -0.04 2.03 1.70 2zleM1 PRO 5081 HD2 0.01 0.07 -0.06 -0.04 3.68 3.66 2zleM1 PRO 5081 HD3 0.01 0.16 -1.24 -0.04 3.65 2.55 2zleM1 SER 5082 H 0.01 0.04 -0.83 -0.55 8.46 7.13 2zleM1 SER 5082 HA 0.01 0.12 0.55 -0.75 4.49 4.41 2zleM1 SER 5082 HB2 0.01 -0.01 0.02 -0.04 3.95 3.92 2zleM1 SER 5082 HB3 0.01 0.00 0.02 -0.04 3.93 3.92 2zleM1 VAL 5083 H 0.01 0.10 0.09 -0.55 8.24 7.88 2zleM1 VAL 5083 HA 0.01 0.14 0.80 -0.75 4.13 4.32 2zleM1 VAL 5083 HB 0.00 -0.01 0.11 -0.04 2.12 2.19 2zleM1 VAL 5083 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.81 2zleM1 VAL 5083 HG23 0.00 -0.01 -0.04 -0.04 0.95 0.86 2zleM1 LEU 5084 H 0.02 0.19 0.11 -0.55 8.37 8.13 2zleM1 LEU 5084 HA 0.02 0.16 0.91 -0.75 4.35 4.68 2zleM1 LEU 5084 HB2 0.02 0.07 -0.21 -0.04 1.64 1.47 2zleM1 LEU 5084 HB3 0.02 -0.01 0.06 -0.04 1.64 1.67 2zleM1 LEU 5084 HG 0.03 0.11 -0.32 -0.04 1.64 1.42 2zleM1 LEU 5084 HD13 0.02 -0.03 -0.11 -0.04 0.93 0.77 2zleM1 LEU 5084 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.77 2zleM1 ALA 5085 H 0.03 0.25 0.07 -0.55 8.40 8.20 2zleM1 ALA 5085 HA 0.05 0.46 0.92 -0.75 4.34 5.01 2zleM1 ALA 5085 HB3 0.04 -0.01 -0.06 -0.04 1.41 1.34 2zleM1 LEU 5086 H 0.05 0.55 0.08 -0.55 8.37 8.51 2zleM1 LEU 5086 HA 0.05 -0.00 0.62 -0.75 4.35 4.27 2zleM1 LEU 5086 HB2 0.03 -0.00 0.14 -0.04 1.64 1.77 2zleM1 LEU 5086 HB3 0.03 -0.02 -0.03 -0.04 1.64 1.57 2zleM1 LEU 5086 HG 0.02 -0.02 -0.07 -0.04 1.64 1.53 2zleM1 LEU 5086 HD13 0.03 -0.01 -0.13 -0.04 0.93 0.77 2zleM1 LEU 5086 HD23 0.03 -0.03 -0.15 -0.04 0.89 0.70 2zleM1 ASN 5087 H 0.09 0.17 0.22 -0.55 8.53 8.46 2zleM1 ASN 5087 HA 0.34 0.19 0.42 -0.75 4.76 4.96 2zleM1 ASN 5087 HB2 0.10 -0.24 0.32 -0.04 2.88 3.02 2zleM1 ASN 5087 HB3 0.25 0.06 0.08 -0.04 2.79 3.13 2zleM1 ASN 5087 HD21 0.00 0.04 -0.17 -0.04 7.03 6.86 2zleM1 ASN 5087 HD22 0.08 0.02 -0.07 -0.04 7.74 7.74 2zleM1 ILE 5088 H -0.02 0.68 0.34 -0.55 8.25 8.70 2zleM1 ILE 5088 HA -0.01 0.05 0.87 -0.75 4.18 4.35 2zleM1 ILE 5088 HB -0.02 0.13 0.03 -0.04 1.89 1.99 2zleM1 ILE 5088 HG12 -0.06 0.07 0.08 -0.04 1.49 1.53 2zleM1 ILE 5088 HG13 -0.07 -0.13 -0.32 -0.04 1.21 0.65 2zleM1 ILE 5088 HG23 0.00 0.07 -0.11 -0.04 0.93 0.85 2zleM1 ILE 5088 HD13 -0.03 0.01 -0.02 -0.04 0.88 0.81 2zleM1 GLN 5089 H -0.03 0.38 0.07 -0.55 8.47 8.35 2zleM1 GLN 5089 HA -0.07 0.45 0.93 -0.75 4.36 4.91 2zleM1 GLN 5089 HB2 -0.03 -0.00 -0.11 -0.04 2.15 1.96 2zleM1 GLN 5089 HB3 -0.06 0.06 -0.02 -0.04 2.02 1.96 2zleM1 GLN 5089 HG2 -0.01 -0.10 0.10 -0.04 2.40 2.34 2zleM1 GLN 5089 HG3 -0.01 0.02 -0.03 -0.04 2.39 2.34 2zleM1 GLN 5089 HE21 0.03 0.23 0.20 -0.04 6.97 7.40 2zleM1 GLN 5089 HE22 0.01 -0.21 -0.01 -0.04 7.69 7.44 2zleM1 ARG 5090 H -0.04 0.27 0.08 -0.55 8.46 8.21 2zleM1 ARG 5090 HA -0.02 -0.07 0.86 -0.75 4.34 4.36 2zleM1 ARG 5090 HB2 -0.02 0.19 0.18 -0.04 1.90 2.21 2zleM1 ARG 5090 HB3 -0.02 -0.13 0.11 -0.04 1.80 1.72 2zleM1 ARG 5090 HG2 -0.04 0.08 0.13 -0.04 1.67 1.80 2zleM1 ARG 5090 HG3 -0.03 -0.10 0.13 -0.04 1.67 1.64 2zleM1 ARG 5090 HD2 -0.02 -0.06 0.03 -0.04 3.22 3.13 2zleM1 ARG 5090 HD3 -0.02 -0.01 0.04 -0.04 3.22 3.18 2zleM1 GLY 5091 H -0.02 0.51 -0.37 -0.55 8.43 8.01 2zleM1 GLY 5091 HA2 -0.01 0.02 0.36 -0.51 4.01 3.87 2zleM1 GLY 5091 HA3 -0.01 0.15 0.81 -0.51 4.01 4.45 2zleM1 ASP 5092 H -0.02 0.15 -0.29 -0.55 8.40 7.70 2zleM1 ASP 5092 HA -0.02 0.22 0.84 -0.75 4.63 4.92 2zleM1 ASP 5092 HB2 -0.02 -0.12 0.14 -0.04 2.71 2.67 2zleM1 ASP 5092 HB3 -0.01 0.01 -0.01 -0.04 2.70 2.65 2zleM1 SER 5093 H -0.03 0.07 0.06 -0.55 8.46 8.01 2zleM1 SER 5093 HA -0.05 0.03 0.35 -0.75 4.49 4.07 2zleM1 SER 5093 HB2 -0.06 0.05 0.02 -0.04 3.95 3.93 2zleM1 SER 5093 HB3 -0.03 0.02 0.13 -0.04 3.93 4.00 2zleM1 THR 5094 H -0.10 0.14 0.09 -0.55 8.28 7.86 2zleM1 THR 5094 HA -0.16 0.24 1.00 -0.75 4.39 4.72 2zleM1 THR 5094 HB -0.09 -0.07 0.22 -0.04 4.32 4.34 2zleM1 THR 5094 HG23 -0.12 -0.01 -0.08 -0.04 1.22 0.97 2zleM1 ILE 5095 H -0.22 0.20 -0.01 -0.55 8.25 7.67 2zleM1 ILE 5095 HA -0.38 0.13 0.78 -0.75 4.18 3.96 2zleM1 ILE 5095 HB -0.10 -0.03 0.05 -0.04 1.89 1.77 2zleM1 ILE 5095 HG12 -0.12 -0.08 -0.01 -0.04 1.49 1.24 2zleM1 ILE 5095 HG13 -0.11 0.07 -0.03 -0.04 1.21 1.10 2zleM1 ILE 5095 HG23 -0.08 -0.02 -0.04 -0.04 0.93 0.75 2zleM1 ILE 5095 HD13 -0.05 0.01 0.03 -0.04 0.88 0.84 2zleM1 TYR 5096 H -0.05 0.14 0.02 -0.55 8.29 7.85 2zleM1 TYR 5096 HA 0.00 0.31 0.74 -0.75 4.56 4.86 2zleM1 TYR 5096 HB2 0.00 -0.05 0.13 -0.04 3.06 3.10 2zleM1 TYR 5096 HB3 0.00 0.02 -0.10 -0.04 2.98 2.87 2zleM1 TYR 5096 HD2 0.00 -0.05 -0.10 -0.04 7.15 6.97 2zleM1 TYR 5096 HE2 0.00 -0.05 -0.07 -0.04 6.85 6.69 2zleM1 LEU 5097 H 0.04 0.26 0.08 -0.55 8.37 8.21 2zleM1 LEU 5097 HA 0.04 0.10 0.70 -0.75 4.35 4.44 2zleM1 LEU 5097 HB2 0.02 0.03 0.13 -0.04 1.64 1.77 2zleM1 LEU 5097 HB3 0.02 -0.05 0.16 -0.04 1.64 1.73 2zleM1 LEU 5097 HG 0.00 0.33 0.13 -0.04 1.64 2.06 2zleM1 LEU 5097 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.82 2zleM1 LEU 5097 HD23 -0.02 -0.06 -0.07 -0.04 0.89 0.69 2zleM1 LEU 5098 H 0.03 0.10 0.12 -0.55 8.37 8.07 2zleM1 LEU 5098 HA 0.03 0.51 0.85 -0.75 4.35 4.99 2zleM1 LEU 5098 HB2 0.02 -0.02 0.15 -0.04 1.64 1.75 2zleM1 LEU 5098 HB3 0.02 0.04 0.16 -0.04 1.64 1.82 2zleM1 LEU 5098 HG 0.03 -0.05 0.01 -0.04 1.64 1.59 2zleM1 LEU 5098 HD13 0.02 -0.01 0.04 -0.04 0.93 0.94 2zleM1 LEU 5098 HD23 0.03 0.01 -0.06 -0.04 0.89 0.82