#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxh s PHE 4004N 0.00 3.27 -0.11 5.58 2.19 -1.25 -4.72 117.98 122.94 2nxh s PHE 4004Ca 0.00 1.38 -0.15 0.00 0.33 0.00 0.00 56.93 58.49 2nxh s PHE 4004Cb 0.00 -3.55 -0.05 0.00 -1.31 0.00 0.00 43.02 38.11 2nxh s PHE 4004CO 0.00 -1.58 0.37 -1.17 1.83 0.00 0.00 175.22 174.66 2nxh s LEU 4005N -0.86 4.32 -0.25 6.12 2.96 -0.90 -0.64 118.68 129.43 2nxh s LEU 4005Ca 0.52 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2nxh s LEU 4005Cb -0.36 -2.50 0.07 0.00 0.50 0.00 0.00 46.19 43.89 2nxh s LEU 4005CO 0.43 0.14 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.89 2nxh s VAL 4006N 0.07 1.43 -0.27 1.68 1.01 -0.37 -0.66 120.40 123.28 2nxh s VAL 4006Ca 0.21 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 2nxh s VAL 4006Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2nxh s VAL 4006CO 0.08 -0.21 0.24 -0.63 0.00 0.00 0.00 175.10 174.58 2nxh s ILE 4007N 1.42 5.28 0.08 2.22 1.01 -0.23 -1.26 121.20 129.71 2nxh s ILE 4007Ca -0.03 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.78 2nxh s ILE 4007Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2nxh s ILE 4007CO -0.08 0.23 0.29 0.00 0.00 0.00 0.00 174.94 175.38 2nxh s ALA 4008N 1.78 -0.59 0.00 9.38 0.00 -0.43 -1.03 121.76 130.87 2nxh s ALA 4008Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2nxh s ALA 4008Cb -0.16 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2nxh s ALA 4008CO 0.10 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2nxh n GLY 4009N 0.15 -2.66 3.78 0.00 0.00 -1.24 -1.23 105.19 103.99 2nxh n GLY 4009Ca -0.17 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 2nxh n GLY 4009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nxh s PRO 4010N -2.00 4.31 0.14 1.61 0.04 -1.21 -0.84 135.00 137.05 2nxh s PRO 4010Ca 0.00 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 2nxh s PRO 4010Cb 0.00 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2nxh s PRO 4010CO 0.00 -0.00 1.68 -0.97 0.04 0.00 0.00 177.00 177.75 2nxh h ASN 4011N 2.73 -0.34 -3.40 6.66 -1.24 -1.85 -3.36 115.58 114.78 2nxh h ASN 4011Ca -0.48 0.09 -0.66 0.00 0.71 0.00 0.00 56.30 55.95 2nxh h ASN 4011Cb 1.21 0.19 -0.19 0.00 0.73 0.00 0.00 38.32 40.26 2nxh h ASN 4011CO 0.63 -0.13 -0.83 0.00 -1.29 0.00 0.00 177.43 175.82 2nxh s ALA 4012N -6.19 2.54 -1.33 1.57 0.00 -1.26 -1.47 121.76 115.61 2nxh s ALA 4012Ca -0.14 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 2nxh s ALA 4012Cb 0.11 -0.40 0.09 0.00 0.00 0.00 0.00 23.12 22.93 2nxh s ALA 4012CO 0.69 0.47 1.86 -0.89 0.00 0.00 0.00 175.76 177.89 2nxh n ILE 4013N 0.45 3.89 0.10 0.00 5.41 -0.61 -4.72 119.36 123.89 2nxh n ILE 4013Ca -0.14 -3.91 0.03 0.00 1.00 0.00 0.00 62.75 59.73 2nxh n ILE 4013Cb 0.55 -2.45 0.41 0.00 -0.71 0.00 0.00 39.64 37.44 2nxh n ILE 4013CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2nxh h GLU 4014N 6.81 0.29 -1.42 0.38 5.08 -1.96 -3.42 114.58 120.33 2nxh h GLU 4014Ca 0.46 -0.05 0.26 0.00 -1.00 0.00 0.00 59.36 59.02 2nxh h GLU 4014Cb 0.77 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 29.78 2nxh h GLU 4014CO 1.58 0.36 0.83 -1.54 -1.00 0.00 0.00 179.01 179.23 2nxh s SER 4015N -6.85 -0.13 0.44 1.42 1.04 -1.26 -5.00 113.70 103.36 2nxh s SER 4015Ca -0.06 0.01 0.13 0.00 0.48 0.00 0.00 55.95 56.51 2nxh s SER 4015Cb 0.16 0.13 0.96 0.00 0.10 0.00 0.00 66.02 67.37 2nxh s SER 4015CO 0.73 -0.21 1.99 1.05 0.98 0.00 0.00 173.24 177.78 2nxh h GLU 4016N 2.02 0.08 -0.47 4.02 4.11 -1.97 -2.45 114.58 119.92 2nxh h GLU 4016Ca -0.08 -0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.27 2nxh h GLU 4016Cb 1.16 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2nxh h GLU 4016CO 0.23 0.22 0.06 1.49 0.07 0.00 0.00 179.01 181.08 2nxh h GLU 4017N 0.07 0.78 -0.32 1.06 4.81 -1.99 -1.24 114.58 117.76 2nxh h GLU 4017Ca 0.02 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2nxh h GLU 4017Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2nxh h GLU 4017CO 0.02 0.81 0.15 1.25 -0.73 0.00 0.00 179.01 180.50 2nxh h LEU 4018N 0.65 0.42 -0.23 1.64 5.85 -1.84 -1.75 115.31 120.05 2nxh h LEU 4018Ca 0.14 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2nxh h LEU 4018Cb 0.41 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2nxh h LEU 4018CO 0.01 0.43 0.06 -0.07 -0.34 0.00 0.00 178.44 178.54 2nxh h LEU 4019N 0.38 0.05 -1.33 2.25 3.38 -1.25 -1.24 115.31 117.56 2nxh h LEU 4019Ca 0.11 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2nxh h LEU 4019Cb 0.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2nxh h LEU 4019CO -0.01 0.06 -0.13 -0.07 0.09 0.00 0.00 178.44 178.38 2nxh h LEU 4020N 0.16 0.28 -0.39 1.67 3.38 -1.14 0.65 115.31 119.92 2nxh h LEU 4020Ca 0.10 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2nxh h LEU 4020Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2nxh h LEU 4020CO -0.12 0.44 -0.31 0.50 0.09 0.00 0.00 178.44 179.04 2nxh h LYS 4021N 0.28 0.90 0.05 1.13 3.64 -0.77 -1.20 116.57 120.61 2nxh h LYS 4021Ca 0.06 -0.44 -0.25 0.00 -1.27 0.00 0.00 60.65 58.74 2nxh h LYS 4021Cb 0.40 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2nxh h LYS 4021CO 0.02 1.10 -1.06 0.28 -2.27 0.00 0.00 179.45 177.52 2nxh h VAL 4022N 0.72 1.42 -0.79 2.00 2.07 -0.89 -3.20 116.25 117.57 2nxh h VAL 4022Ca 0.07 -2.62 0.03 0.00 0.82 0.00 0.00 66.70 65.01 2nxh h VAL 4022Cb 0.89 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 33.21 2nxh h VAL 4022CO 0.08 0.78 0.52 1.23 0.02 0.00 0.00 177.57 180.20 2nxh h GLY 4023N 1.23 1.11 0.93 2.17 0.00 0.42 -0.57 103.07 108.36 2nxh h GLY 4023Ca -0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2nxh h GLY 4023CO 0.18 0.33 0.11 -2.09 0.00 0.00 0.00 176.54 175.07 2nxh h GLU 4024N 0.97 0.29 -0.50 4.80 4.81 -1.21 0.22 114.58 123.97 2nxh h GLU 4024Ca 0.32 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 2nxh h GLU 4024Cb 0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2nxh h GLU 4024CO -0.09 0.29 0.08 1.49 -0.73 0.00 0.00 179.01 180.05 2nxh h GLU 4025N 0.22 0.82 -0.54 1.92 4.57 -1.44 -1.09 114.58 119.04 2nxh h GLU 4025Ca 0.07 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2nxh h GLU 4025Cb 0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2nxh h GLU 4025CO -0.01 0.81 0.15 0.82 -1.18 0.00 0.00 179.01 179.61 2nxh h ILE 4026N 0.69 1.22 -0.21 2.32 2.04 -0.89 -0.07 117.51 122.61 2nxh h ILE 4026Ca 0.15 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2nxh h ILE 4026Cb 0.39 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2nxh h ILE 4026CO 0.01 0.28 0.11 0.50 0.00 0.00 0.00 178.15 179.05 2nxh h LYS 4027N 0.78 0.29 -0.56 2.37 1.63 -0.22 1.00 116.57 121.86 2nxh h LYS 4027Ca 0.18 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2nxh h LYS 4027Cb 0.25 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 2nxh h LYS 4027CO -0.01 0.29 0.31 -0.09 -3.45 0.00 0.00 179.45 176.51 2nxh h ARG 4028N 0.22 0.58 -0.33 1.90 2.43 -0.51 0.28 114.38 118.94 2nxh h ARG 4028Ca 0.07 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2nxh h ARG 4028Cb 0.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2nxh h ARG 4028CO -0.01 0.38 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.71 2nxh h LEU 4029N 0.60 0.51 -0.87 3.80 -0.00 -0.73 -1.11 115.31 117.51 2nxh h LEU 4029Ca 0.24 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2nxh h LEU 4029Cb 0.11 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.59 2nxh h LEU 4029CO -0.15 0.62 0.57 -1.28 -0.00 0.00 0.00 178.44 178.20 2nxh h SER 4030N 0.51 0.99 -0.41 -0.43 0.87 0.91 0.30 113.55 116.28 2nxh h SER 4030Ca 0.10 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.51 2nxh h SER 4030Cb 0.41 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2nxh h SER 4030CO 0.02 0.71 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.47 2nxh h GLU 4031N 1.16 0.88 -0.15 2.24 4.39 -0.33 -3.28 114.58 119.50 2nxh h GLU 4031Ca 0.32 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 2nxh h GLU 4031Cb -0.12 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2nxh h GLU 4031CO -0.07 1.05 -0.41 -0.22 -1.16 0.00 0.00 179.01 178.19 2nxh h LYS 4032N 0.70 0.55 -2.83 2.33 3.64 -0.73 -3.36 116.57 116.87 2nxh h LYS 4032Ca 0.09 -0.39 -0.76 0.00 -1.27 0.00 0.00 60.65 58.33 2nxh h LYS 4032Cb 0.80 0.06 -0.32 0.00 -0.41 0.00 0.00 32.23 32.37 2nxh h LYS 4032CO 0.07 1.00 0.40 1.19 -2.27 0.00 0.00 179.45 179.84 2nxh n PHE 4033N -4.27 2.89 0.30 1.91 3.01 1.00 -4.84 117.46 117.46 2nxh n PHE 4033Ca -0.07 -3.12 0.20 0.00 1.01 0.00 0.00 57.45 55.48 2nxh n PHE 4033Cb 0.54 -1.12 1.08 0.00 -0.01 0.00 0.00 39.48 39.97 2nxh n PHE 4033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2nxh h LYS 4034N 5.27 0.00 -0.01 -1.08 1.79 -1.72 -0.75 116.57 120.08 2nxh h LYS 4034Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2nxh h LYS 4034Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2nxh h LYS 4034CO 1.17 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 177.63 2nxh n GLU 4035N -2.91 1.16 -4.49 3.15 4.07 -1.26 -4.82 120.64 115.53 2nxh n GLU 4035Ca -0.03 -0.23 -0.31 0.00 -0.06 0.00 0.00 57.16 56.53 2nxh n GLU 4035Cb 0.07 -1.48 -0.11 0.00 -0.06 0.00 0.00 31.44 29.86 2nxh n GLU 4035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nxh s VAL 4036N -2.00 3.33 -0.42 6.31 1.01 -0.29 -3.82 120.40 124.52 2nxh s VAL 4036Ca 0.44 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2nxh s VAL 4036Cb 0.21 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 34.19 2nxh s VAL 4036CO 0.35 0.33 0.29 -0.70 0.00 0.00 0.00 175.10 175.37 2nxh s GLU 4037N -1.54 2.81 -0.01 2.72 2.12 0.19 -4.97 118.70 120.01 2nxh s GLU 4037Ca 0.17 -1.28 -0.20 0.00 0.36 0.00 0.00 54.97 54.02 2nxh s GLU 4037Cb -0.11 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 2nxh s GLU 4037CO 0.08 -0.88 0.59 -0.06 -0.54 0.00 0.00 175.26 174.44 2nxh s PHE 4038N 1.55 3.67 -0.11 5.30 0.40 -1.26 -1.23 117.98 126.30 2nxh s PHE 4038Ca 0.03 1.18 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 2nxh s PHE 4038Cb -0.22 -2.60 0.02 0.00 0.51 0.00 0.00 43.02 40.72 2nxh s PHE 4038CO 0.06 0.35 -0.15 0.08 0.70 0.00 0.00 175.22 176.25 2nxh s VAL 4039N -0.16 1.50 -0.14 -0.44 1.01 -0.39 -4.14 120.40 117.64 2nxh s VAL 4039Ca 0.31 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.39 2nxh s VAL 4039Cb -0.18 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2nxh s VAL 4039CO 0.17 0.44 0.89 0.12 0.00 0.00 0.00 175.10 176.73 2nxh s PHE 4040N 1.07 3.46 0.02 5.22 5.36 0.09 -1.31 117.98 131.89 2nxh s PHE 4040Ca -0.05 1.39 0.08 0.00 -0.96 0.00 0.00 56.93 57.39 2nxh s PHE 4040Cb -0.15 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.43 2nxh s PHE 4040CO -0.03 -0.22 -0.25 0.21 -1.46 0.00 0.00 175.22 173.47 2nxh s LYS 4041N 2.06 1.95 -0.29 10.12 2.36 -0.36 -1.35 119.74 134.22 2nxh s LYS 4041Ca 0.42 -1.03 -0.19 0.00 -2.55 0.00 0.00 55.97 52.62 2nxh s LYS 4041Cb -0.17 -2.03 0.16 0.00 -1.05 0.00 0.00 37.83 34.73 2nxh s LYS 4041CO 0.14 0.53 1.09 0.45 1.55 0.00 0.00 175.35 179.12 2nxh s SER 4042N -1.05 -0.36 0.02 1.43 0.15 -1.16 -3.31 113.70 109.42 2nxh s SER 4042Ca 0.11 0.61 -0.28 0.00 0.70 0.00 0.00 55.95 57.10 2nxh s SER 4042Cb -0.10 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.15 2nxh s SER 4042CO 0.01 -0.10 0.88 -0.44 1.20 0.00 0.00 173.24 174.80 2nxh s SER 4043N 0.91 7.30 0.17 5.45 0.01 -0.55 -4.60 113.70 122.39 2nxh s SER 4043Ca -0.05 1.56 0.26 0.00 1.31 0.00 0.00 55.95 59.04 2nxh s SER 4043Cb -0.04 -2.53 0.79 0.00 0.21 0.00 0.00 66.02 64.46 2nxh s SER 4043CO -0.12 -0.14 1.72 2.22 0.41 0.00 0.00 173.24 177.33 2nxh n PHE 4044N 3.43 0.75 -3.67 2.43 1.16 -1.26 -1.57 117.46 118.72 2nxh n PHE 4044Ca 0.02 0.22 -0.09 0.00 -1.87 0.00 0.00 57.45 55.73 2nxh n PHE 4044Cb 0.50 -0.83 -0.09 0.00 -1.61 0.00 0.00 39.48 37.45 2nxh n PHE 4044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nxh s ASP 4045N -4.26 -0.70 -0.89 5.98 2.15 -1.26 -3.98 116.67 113.72 2nxh s ASP 4045Ca 0.10 1.15 -0.15 0.00 0.43 0.00 0.00 52.55 54.09 2nxh s ASP 4045Cb 0.13 1.04 0.20 0.00 -0.30 0.00 0.00 42.92 44.00 2nxh s ASP 4045CO 0.61 -0.21 0.90 -0.54 -0.17 0.00 0.00 175.17 175.75 2nxh s LYS 4046N 1.51 3.68 0.00 4.34 -0.14 0.31 -4.86 119.74 124.58 2nxh s LYS 4046Ca -0.10 -2.39 0.30 0.00 -1.36 0.00 0.00 55.97 52.42 2nxh s LYS 4046Cb -0.07 -4.57 1.54 0.00 -1.68 0.00 0.00 37.83 33.05 2nxh s LYS 4046CO -0.16 -1.40 2.02 0.00 -0.76 0.00 0.00 175.35 175.05 2nxh n ALA 4047N 4.45 2.66 -1.81 5.17 0.00 -1.26 -4.00 120.51 125.71 2nxh n ALA 4047Ca 0.18 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2nxh n ALA 4047Cb 0.47 -1.39 0.13 0.00 0.00 0.00 0.00 19.45 18.65 2nxh n ALA 4047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nxh n ASN 4048N -0.69 1.46 -4.68 0.00 2.04 -1.26 -5.08 115.26 107.05 2nxh n ASN 4048Ca 0.20 -3.09 -0.35 0.00 -0.44 0.00 0.00 54.58 50.90 2nxh n ASN 4048Cb 0.21 -0.42 0.10 0.00 -2.53 0.00 0.00 39.78 37.14 2nxh n ASN 4048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2nxh n ARG 4049N -0.61 0.49 0.04 -3.83 5.12 -1.26 -4.90 116.66 111.71 2nxh n ARG 4049Ca 0.13 0.24 -0.06 0.00 -1.93 0.00 0.00 57.85 56.23 2nxh n ARG 4049Cb 0.81 -2.40 0.12 0.00 -1.16 0.00 0.00 32.46 29.84 2nxh n ARG 4049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2nxh h SER 4050N -0.39 0.46 -3.81 0.55 0.02 -1.98 -3.45 113.55 104.96 2nxh h SER 4050Ca -0.48 -0.22 -0.68 0.00 -0.84 0.00 0.00 61.79 59.57 2nxh h SER 4050Cb 1.32 -0.13 -0.20 0.00 0.14 0.00 0.00 62.40 63.53 2nxh h SER 4050CO 0.48 0.86 -0.78 -0.55 -1.14 0.00 0.00 176.83 175.71 2nxh s SER 4051N -6.88 4.05 0.38 3.07 0.15 -1.26 -4.99 113.70 108.22 2nxh s SER 4051Ca -0.06 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.48 2nxh s SER 4051Cb 0.12 -0.72 1.17 0.00 -1.71 0.00 0.00 66.02 64.88 2nxh s SER 4051CO 0.81 0.24 1.83 -0.29 1.20 0.00 0.00 173.24 177.03 2nxh h ILE 4052N 3.76 0.00 0.00 6.45 6.09 -2.03 -2.81 117.51 128.97 2nxh h ILE 4052Ca -0.48 -0.34 -0.07 0.00 -1.37 0.00 0.00 64.86 62.60 2nxh h ILE 4052Cb 1.16 1.18 -0.01 0.00 0.47 0.00 0.00 36.82 39.62 2nxh h ILE 4052CO 0.49 0.00 -0.56 0.45 -3.07 0.00 0.00 178.15 175.47 2nxh h HIS 4053N 0.00 0.00 -4.29 2.19 3.86 -1.99 -3.48 115.15 111.45 2nxh h HIS 4053Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2nxh h HIS 4053Cb 0.41 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.02 2nxh h HIS 4053CO 0.00 0.29 0.31 -1.12 0.86 0.00 0.00 177.93 178.27 2nxh s SER 4054N -6.13 4.28 0.32 2.45 0.01 -1.06 -4.99 113.70 108.57 2nxh s SER 4054Ca 0.03 1.92 -0.29 0.00 1.31 0.00 0.00 55.95 58.93 2nxh s SER 4054Cb 0.07 -2.53 -0.10 0.00 0.21 0.00 0.00 66.02 63.67 2nxh s SER 4054CO 0.74 -2.19 1.30 0.12 0.41 0.00 0.00 173.24 173.61 2nxh s PHE 4055N -2.77 3.09 -0.02 2.43 5.36 -1.26 -4.95 117.98 119.86 2nxh s PHE 4055Ca 0.63 1.42 -0.00 0.00 -0.96 0.00 0.00 56.93 58.01 2nxh s PHE 4055Cb -0.19 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 38.83 2nxh s PHE 4055CO 0.55 -1.79 -0.02 0.54 -1.46 0.00 0.00 175.22 173.03 2nxh n ARG 4056N 0.94 0.05 -1.18 10.12 1.74 -1.26 -4.73 116.66 122.34 2nxh n ARG 4056Ca 0.00 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2nxh n ARG 4056Cb 0.42 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 2nxh n ARG 4056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nxh n GLY 4057N 3.18 0.09 0.96 -0.13 0.00 -1.26 -0.53 105.19 107.49 2nxh n GLY 4057Ca -0.04 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.32 2nxh n GLY 4057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nxh n HIS 4058N 3.90 0.95 0.00 1.61 8.25 -1.26 -5.05 115.22 123.62 2nxh n HIS 4058Ca 0.00 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 2nxh n HIS 4058Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 2nxh n HIS 4058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nxh n GLY 4059N -0.01 2.21 0.17 -1.41 0.00 -1.26 -4.47 105.19 100.42 2nxh n GLY 4059Ca 0.20 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 2nxh n GLY 4059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nxh h LEU 4060N 0.00 0.06 0.17 0.99 5.85 -1.98 -0.24 115.31 120.15 2nxh h LEU 4060Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2nxh h LEU 4060Cb 0.00 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2nxh h LEU 4060CO 0.00 0.07 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.51 2nxh h GLU 4061N 0.24 -0.56 -0.73 1.25 5.08 -1.97 0.27 114.58 118.15 2nxh h GLU 4061Ca 0.19 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2nxh h GLU 4061Cb 0.21 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2nxh h GLU 4061CO -0.23 -0.38 0.45 -0.92 -1.00 0.00 0.00 179.01 176.93 2nxh h TYR 4062N -0.59 0.83 0.10 4.33 3.20 -1.74 -2.18 116.97 120.92 2nxh h TYR 4062Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2nxh h TYR 4062Cb 0.59 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2nxh h TYR 4062CO -0.27 0.44 -0.05 0.78 -1.64 0.00 0.00 178.16 177.42 2nxh h GLY 4063N 0.84 -0.14 0.66 1.82 0.00 -0.34 -0.30 103.07 105.62 2nxh h GLY 4063Ca 0.31 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2nxh h GLY 4063CO -0.14 -0.05 0.55 -2.08 0.00 0.00 0.00 176.54 174.82 2nxh h VAL 4064N -0.19 1.01 -0.29 4.60 2.07 -0.35 -0.12 116.25 122.98 2nxh h VAL 4064Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2nxh h VAL 4064Cb 0.15 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2nxh h VAL 4064CO 0.02 0.18 0.13 0.50 0.02 0.00 0.00 177.57 178.42 2nxh h LYS 4065N 0.97 0.43 -0.15 1.57 3.64 -1.09 -0.08 116.57 121.86 2nxh h LYS 4065Ca 0.40 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2nxh h LYS 4065Cb 0.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2nxh h LYS 4065CO -0.20 0.42 0.07 0.00 -2.27 0.00 0.00 179.45 177.47 2nxh h ALA 4066N 0.99 0.19 -0.45 5.00 0.00 -0.39 -2.21 119.26 122.38 2nxh h ALA 4066Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nxh h ALA 4066Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2nxh h ALA 4066CO -0.01 -0.25 0.26 -0.07 0.00 0.00 0.00 179.25 179.18 2nxh h LEU 4067N 0.11 0.53 -0.89 0.00 3.38 -0.91 -1.85 115.31 115.68 2nxh h LEU 4067Ca 0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2nxh h LEU 4067Cb 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2nxh h LEU 4067CO -0.01 0.42 -0.14 -0.09 0.09 0.00 0.00 178.44 178.71 2nxh h ARG 4068N 0.61 0.67 -0.50 1.13 2.43 -0.61 -1.32 114.38 116.79 2nxh h ARG 4068Ca 0.16 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2nxh h ARG 4068Cb -0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2nxh h ARG 4068CO -0.03 0.78 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.90 2nxh h LYS 4069N 0.61 0.95 -0.57 0.20 1.63 -0.75 -0.02 116.57 118.62 2nxh h LYS 4069Ca 0.10 -0.35 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2nxh h LYS 4069Cb 0.59 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 2nxh h LYS 4069CO 0.04 1.02 0.37 0.28 -3.45 0.00 0.00 179.45 177.71 2nxh h VAL 4070N 0.82 1.14 -0.46 2.00 2.07 -1.13 0.28 116.25 120.97 2nxh h VAL 4070Ca 0.13 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2nxh h VAL 4070Cb 0.65 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2nxh h VAL 4070CO 0.04 0.14 0.19 0.50 0.02 0.00 0.00 177.57 178.46 2nxh h LYS 4071N 0.76 0.68 -0.02 1.57 3.64 -0.88 -1.03 116.57 121.29 2nxh h LYS 4071Ca 0.21 -0.12 -0.26 0.00 -1.27 0.00 0.00 60.65 59.21 2nxh h LYS 4071Cb -0.08 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2nxh h LYS 4071CO -0.05 0.61 -1.00 0.93 -2.27 0.00 0.00 179.45 177.66 2nxh h GLU 4072N 0.59 0.69 0.00 1.90 5.08 -0.75 0.47 114.58 122.56 2nxh h GLU 4072Ca 0.15 -0.72 -0.10 0.00 -1.00 0.00 0.00 59.36 57.70 2nxh h GLU 4072Cb 0.18 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2nxh h GLU 4072CO -0.01 1.30 -0.47 1.49 -1.00 0.00 0.00 179.01 180.32 2nxh h GLU 4073N 0.40 0.00 0.00 2.33 4.81 -0.45 -3.35 114.58 118.32 2nxh h GLU 4073Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2nxh h GLU 4073Cb 1.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.03 2nxh h GLU 4073CO 0.20 0.47 0.00 1.19 -0.73 0.00 0.00 179.01 180.13 2nxh n PHE 4074N -3.33 0.00 -2.48 0.92 3.72 -0.39 -5.02 117.46 110.88 2nxh n PHE 4074Ca 0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.24 2nxh n PHE 4074Cb 0.65 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 2nxh n PHE 4074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nxh n GLY 4075N 0.41 -0.30 3.89 1.37 0.00 0.15 -4.96 105.19 105.76 2nxh n GLY 4075Ca 0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2nxh n GLY 4075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxh s LEU 4076N -4.95 4.38 0.71 0.99 1.43 -1.22 -5.05 118.68 114.97 2nxh s LEU 4076Ca 0.07 0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 2nxh s LEU 4076Cb -0.03 -2.45 0.03 0.00 0.03 0.00 0.00 46.19 43.77 2nxh s LEU 4076CO 0.09 0.31 1.12 -0.54 0.23 0.00 0.00 176.35 177.56 2nxh s LYS 4077N -1.60 2.47 0.07 1.70 1.02 -1.26 -4.43 119.74 117.71 2nxh s LYS 4077Ca 0.23 1.40 0.07 0.00 0.02 0.00 0.00 55.97 57.69 2nxh s LYS 4077Cb -0.13 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2nxh s LYS 4077CO 0.13 -1.51 -0.20 0.42 -0.92 0.00 0.00 175.35 173.27 2nxh s ILE 4078N -2.45 1.62 -0.06 2.17 -1.09 -1.26 -0.73 121.20 119.39 2nxh s ILE 4078Ca 0.67 -1.35 -0.07 0.00 -2.23 0.00 0.00 60.65 57.67 2nxh s ILE 4078Cb -0.21 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.24 2nxh s ILE 4078CO 0.47 0.05 0.19 0.28 -1.23 0.00 0.00 174.94 174.69 2nxh s THR 4079N -0.99 0.01 0.17 2.92 -1.32 -0.46 0.65 115.64 116.61 2nxh s THR 4079Ca 0.06 -0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.29 2nxh s THR 4079Cb -0.09 -0.30 0.03 0.00 -1.51 0.00 0.00 72.50 70.63 2nxh s THR 4079CO 0.03 -0.04 0.48 0.28 -2.21 0.00 0.00 174.62 173.16 2nxh s THR 4080N -0.06 0.04 0.11 5.08 -1.32 -1.19 -3.00 115.64 115.29 2nxh s THR 4080Ca -0.02 -0.63 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 2nxh s THR 4080Cb -0.02 -1.37 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 2nxh s THR 4080CO 0.00 -0.18 0.22 1.51 -2.21 0.00 0.00 174.62 173.96 2nxh s ASP 4081N -2.84 6.16 0.24 8.08 -4.77 -1.26 -0.78 116.67 121.50 2nxh s ASP 4081Ca 0.06 0.15 0.10 0.00 -3.30 0.00 0.00 52.55 49.56 2nxh s ASP 4081Cb 0.00 -1.82 -0.04 0.00 -1.09 0.00 0.00 42.92 39.96 2nxh s ASP 4081CO -0.07 0.11 -0.10 0.27 0.70 0.00 0.00 175.17 176.07 2nxh s ILE 4082N -1.63 3.04 0.00 2.11 -4.36 -0.90 -4.76 121.20 114.71 2nxh s ILE 4082Ca 0.34 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.74 2nxh s ILE 4082Cb -0.12 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.02 2nxh s ILE 4082CO 0.27 -0.29 0.00 1.41 0.24 0.00 0.00 174.94 176.57 2nxh n HIS 4083N -0.47 0.00 -3.84 1.37 8.25 -1.26 -4.38 115.22 114.89 2nxh n HIS 4083Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.26 2nxh n HIS 4083Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 2nxh n HIS 4083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nxh s GLU 4084N -1.00 0.52 0.27 -0.41 2.02 -1.26 -5.07 118.70 113.78 2nxh s GLU 4084Ca 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 2nxh s GLU 4084Cb 0.00 0.22 0.58 0.00 0.10 0.00 0.00 34.13 35.03 2nxh s GLU 4084CO 0.00 -0.13 1.62 0.77 0.02 0.00 0.00 175.26 177.54 2nxh h SER 4085N 4.25 -0.30 0.08 -0.19 0.02 -1.90 -1.35 113.55 114.16 2nxh h SER 4085Ca -0.30 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2nxh h SER 4085Cb 1.19 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.09 2nxh h SER 4085CO 0.40 -0.22 0.00 4.11 -1.14 0.00 0.00 176.83 179.98 2nxh h TRP 4086N 0.11 0.00 0.00 3.45 5.08 -1.98 -2.68 115.95 119.93 2nxh h TRP 4086Ca 0.49 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.35 2nxh h TRP 4086Cb 0.94 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.09 2nxh h TRP 4086CO -0.41 0.00 -0.60 1.96 -1.28 0.00 0.00 178.44 178.11 2nxh h GLN 4087N 0.00 0.00 -0.16 0.12 4.20 -1.67 -3.38 115.11 114.22 2nxh h GLN 4087Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2nxh h GLN 4087Cb 0.04 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.75 2nxh h GLN 4087CO 0.00 0.48 -0.34 0.00 -0.67 0.00 0.00 178.83 178.31 2nxh h ALA 4088N 1.49 -0.38 0.52 3.87 0.00 -1.63 -1.39 119.26 121.74 2nxh h ALA 4088Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2nxh h ALA 4088Cb 1.41 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2nxh h ALA 4088CO 0.06 -0.81 -0.48 1.49 0.00 0.00 0.00 179.25 179.51 2nxh h GLU 4089N -0.39 -0.95 -0.46 0.00 4.81 -1.79 0.15 114.58 115.94 2nxh h GLU 4089Ca 0.10 0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 2nxh h GLU 4089Cb 0.56 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2nxh h GLU 4089CO -0.38 -0.64 0.31 -1.00 -0.73 0.00 0.00 179.01 176.58 2nxh h PRO 4090N -0.99 0.39 -0.11 0.92 0.13 -1.76 -2.38 132.00 128.21 2nxh h PRO 4090Ca -0.07 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.83 2nxh h PRO 4090Cb 0.85 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2nxh h PRO 4090CO -0.04 0.26 -0.77 0.28 -0.23 0.00 0.00 178.00 177.50 2nxh h VAL 4091N 0.41 1.32 0.00 1.56 2.07 -0.89 -3.15 116.25 117.58 2nxh h VAL 4091Ca 0.20 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2nxh h VAL 4091Cb 0.28 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2nxh h VAL 4091CO -0.05 0.64 0.07 0.00 0.02 0.00 0.00 177.57 178.25 2nxh h ALA 4092N 0.72 1.07 0.00 1.67 0.00 -0.15 -1.45 119.26 121.12 2nxh h ALA 4092Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2nxh h ALA 4092Cb 1.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2nxh h ALA 4092CO 0.15 -0.07 -0.02 0.93 0.00 0.00 0.00 179.25 180.24 2nxh h GLU 4093N 0.00 0.00 0.00 0.00 4.39 -1.55 -3.32 114.58 114.10 2nxh h GLU 4093Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nxh h GLU 4093Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2nxh h GLU 4093CO 0.00 0.02 -0.63 0.28 -1.16 0.00 0.00 179.01 177.52 2nxh n VAL 4094N -3.29 0.00 -2.46 3.13 0.31 -0.73 -5.05 118.33 110.23 2nxh n VAL 4094Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 2nxh n VAL 4094Cb 0.13 -0.48 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 2nxh n VAL 4094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nxh s ALA 4095N -1.63 3.41 0.06 3.52 0.00 -0.63 -4.51 121.76 122.00 2nxh s ALA 4095Ca 0.00 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.77 2nxh s ALA 4095Cb 0.00 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 19.43 2nxh s ALA 4095CO 0.00 -0.55 1.07 -0.44 0.00 0.00 0.00 175.76 175.85 2nxh h ASP 4096N 7.07 0.06 -3.29 0.00 3.32 -0.10 -3.44 116.42 120.04 2nxh h ASP 4096Ca -0.39 -0.07 -0.53 0.00 0.02 0.00 0.00 57.03 56.06 2nxh h ASP 4096Cb 1.19 -0.02 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 2nxh h ASP 4096CO 0.83 1.06 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.97 2nxh s ILE 4097N -2.67 1.12 -0.22 0.35 1.01 -0.75 -2.55 121.20 117.49 2nxh s ILE 4097Ca -0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 2nxh s ILE 4097Cb 0.09 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2nxh s ILE 4097CO 0.83 0.37 0.43 -0.63 0.00 0.00 0.00 174.94 175.94 2nxh s ILE 4098N 1.20 5.16 -0.08 2.92 1.01 0.20 -3.19 121.20 128.42 2nxh s ILE 4098Ca -0.04 0.75 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 2nxh s ILE 4098Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2nxh s ILE 4098CO -0.03 0.21 0.46 -1.58 0.00 0.00 0.00 174.94 174.00 2nxh s GLN 4099N 1.59 4.23 -0.27 2.79 0.74 0.04 -1.07 119.66 127.71 2nxh s GLN 4099Ca 0.20 0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.97 2nxh s GLN 4099Cb -0.15 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 2nxh s GLN 4099CO 0.09 0.32 0.09 0.42 -0.55 0.00 0.00 175.29 175.66 2nxh s ILE 4100N 0.10 4.38 0.50 -2.34 -1.09 0.40 -2.11 121.20 121.04 2nxh s ILE 4100Ca 0.25 -0.26 -0.22 0.00 -2.23 0.00 0.00 60.65 58.19 2nxh s ILE 4100Cb -0.16 -3.11 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 2nxh s ILE 4100CO 0.11 0.25 1.15 -2.65 -1.23 0.00 0.00 174.94 172.58 2nxh n PRO 4101N 4.94 1.47 -0.25 2.79 -0.02 -1.26 -0.97 135.00 141.70 2nxh n PRO 4101Ca -0.15 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 2nxh n PRO 4101Cb 0.51 -2.30 0.15 0.00 -0.02 0.00 0.00 33.50 31.84 2nxh n PRO 4101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxh h ALA 4102N 1.38 1.01 0.00 3.55 0.00 -1.88 -0.61 119.26 122.70 2nxh h ALA 4102Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2nxh h ALA 4102Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2nxh h ALA 4102CO 0.56 -0.09 0.00 0.74 0.00 0.00 0.00 179.25 180.46 2nxh h PHE 4103N 0.56 0.00 -0.52 0.00 0.04 -1.92 -3.12 116.94 111.99 2nxh h PHE 4103Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2nxh h PHE 4103Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 2nxh h PHE 4103CO -0.12 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.87 2nxh n LEU 4104N -3.07 3.82 0.09 1.54 4.77 -0.29 -4.62 117.00 119.24 2nxh n LEU 4104Ca 0.00 -2.24 0.08 0.00 -0.03 0.00 0.00 56.01 53.82 2nxh n LEU 4104Cb 0.28 -0.43 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 2nxh n LEU 4104CO 0.26 0.82 0.74 0.00 -1.33 0.00 0.00 177.39 177.88 2nxh n ARG 4106N -1.96 1.58 -2.46 0.00 5.12 -1.26 -4.89 116.66 112.79 2nxh n ARG 4106Ca 0.00 -1.13 -0.40 0.00 -1.93 0.00 0.00 57.85 54.39 2nxh n ARG 4106Cb 0.09 -1.33 -0.03 0.00 -1.16 0.00 0.00 32.46 30.02 2nxh n ARG 4106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nxh s GLN 4107N -1.86 3.19 0.20 5.56 -1.52 -0.71 -4.89 119.66 119.63 2nxh s GLN 4107Ca 0.17 -0.38 -0.19 0.00 -1.95 0.00 0.00 55.36 53.01 2nxh s GLN 4107Cb 0.15 -4.58 0.16 0.00 -0.22 0.00 0.00 33.01 28.52 2nxh s GLN 4107CO 0.37 -2.31 1.59 1.15 -0.25 0.00 0.00 175.29 175.84 2nxh h THR 4108N 6.41 0.19 -0.58 -0.19 2.02 -1.90 -1.50 112.91 117.36 2nxh h THR 4108Ca -0.13 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2nxh h THR 4108Cb 1.05 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 2nxh h THR 4108CO 1.31 0.00 0.39 0.44 0.37 0.00 0.00 175.52 178.03 2nxh h ASP 4109N -0.12 0.55 -0.30 4.18 3.32 -1.98 0.03 116.42 122.09 2nxh h ASP 4109Ca 0.26 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.16 2nxh h ASP 4109Cb 0.55 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2nxh h ASP 4109CO -0.70 0.37 -0.37 0.25 -1.72 0.00 0.00 179.24 177.06 2nxh h LEU 4110N 0.63 0.85 -0.03 1.55 5.85 -1.66 -1.77 115.31 120.73 2nxh h LEU 4110Ca 0.24 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2nxh h LEU 4110Cb 0.17 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2nxh h LEU 4110CO -0.07 1.17 0.00 -0.07 -0.34 0.00 0.00 178.44 179.14 2nxh h LEU 4111N 0.55 0.05 -1.25 2.25 3.38 -0.93 -2.25 115.31 117.12 2nxh h LEU 4111Ca 0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2nxh h LEU 4111Cb 0.96 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2nxh h LEU 4111CO 0.09 0.30 0.29 -0.07 0.09 0.00 0.00 178.44 179.14 2nxh h LEU 4112N -0.21 0.72 -0.67 1.67 3.38 -1.04 -0.17 115.31 119.00 2nxh h LEU 4112Ca 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2nxh h LEU 4112Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2nxh h LEU 4112CO 0.00 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.33 2nxh h ALA 4113N 1.51 0.88 -0.24 1.53 0.00 -1.22 -1.08 119.26 120.65 2nxh h ALA 4113Ca 0.20 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2nxh h ALA 4113Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2nxh h ALA 4113CO -0.03 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.54 2nxh h ALA 4114N 1.08 0.35 -0.56 0.00 0.00 -0.80 -3.11 119.26 116.23 2nxh h ALA 4114Ca 0.21 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2nxh h ALA 4114Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2nxh h ALA 4114CO -0.00 0.34 0.28 0.00 0.00 0.00 0.00 179.25 179.86 2nxh h ALA 4115N 0.66 1.45 0.00 0.00 0.00 -0.90 -2.64 119.26 117.83 2nxh h ALA 4115Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nxh h ALA 4115Cb 0.82 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2nxh h ALA 4115CO 0.06 0.44 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 2nxh h LYS 4116N 0.78 0.00 0.00 0.00 3.64 -1.12 -2.82 116.57 117.05 2nxh h LYS 4116Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2nxh h LYS 4116Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2nxh h LYS 4116CO -0.03 0.02 0.00 0.25 -2.27 0.00 0.00 179.45 177.42 2nxh n THR 4117N -3.22 0.63 -0.02 1.00 -2.24 -0.99 -4.90 114.28 104.54 2nxh n THR 4117Ca -0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2nxh n THR 4117Cb 0.15 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2nxh n THR 4117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nxh n GLY 4118N 0.68 2.07 3.90 3.38 0.00 -1.06 -5.03 105.19 109.13 2nxh n GLY 4118Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2nxh n GLY 4118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nxh s ARG 4119N -0.30 2.66 0.56 1.61 1.81 -1.26 -4.93 118.95 119.11 2nxh s ARG 4119Ca 0.00 0.16 -0.18 0.00 -1.72 0.00 0.00 55.73 54.00 2nxh s ARG 4119Cb 0.00 -2.11 -0.05 0.00 -0.45 0.00 0.00 34.95 32.34 2nxh s ARG 4119CO 0.00 -1.04 1.09 0.00 -0.68 0.00 0.00 175.30 174.67 2nxh s ALA 4120N -3.26 2.70 -0.05 2.13 0.00 -1.06 -4.77 121.76 117.44 2nxh s ALA 4120Ca 0.58 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2nxh s ALA 4120Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2nxh s ALA 4120CO 0.48 -0.78 -0.15 0.08 0.00 0.00 0.00 175.76 175.40 2nxh s VAL 4121N -2.08 1.28 -0.20 0.00 1.01 -0.26 -0.63 120.40 119.52 2nxh s VAL 4121Ca 0.68 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2nxh s VAL 4121Cb -0.20 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2nxh s VAL 4121CO 0.30 0.38 -0.17 0.21 0.00 0.00 0.00 175.10 175.83 2nxh s ASN 4122N 0.34 3.50 -0.24 3.32 3.04 -0.23 -0.40 114.94 124.26 2nxh s ASN 4122Ca -0.09 -0.79 -0.08 0.00 0.04 0.00 0.00 52.86 51.94 2nxh s ASN 4122Cb -0.13 -1.51 -0.03 0.00 -1.54 0.00 0.00 41.25 38.03 2nxh s ASN 4122CO 0.03 -0.04 0.08 -0.69 -3.04 0.00 0.00 177.10 173.43 2nxh s VAL 4123N 1.26 4.46 -0.10 -5.21 1.01 -0.01 -0.46 120.40 121.36 2nxh s VAL 4123Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 2nxh s VAL 4123Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2nxh s VAL 4123CO -0.11 0.35 1.37 -0.54 0.00 0.00 0.00 175.10 176.18 2nxh s LYS 4124N 1.42 4.24 0.05 2.72 -0.14 -0.14 -0.81 119.74 127.09 2nxh s LYS 4124Ca 0.06 1.84 -0.30 0.00 -1.36 0.00 0.00 55.97 56.20 2nxh s LYS 4124Cb -0.15 -3.76 -0.08 0.00 -1.68 0.00 0.00 37.83 32.16 2nxh s LYS 4124CO 0.04 -0.69 1.69 0.21 -0.76 0.00 0.00 175.35 175.84 2nxh s LYS 4125N 3.31 4.19 0.45 1.68 2.20 0.09 -3.80 119.74 127.86 2nxh s LYS 4125Ca 0.61 2.35 -0.24 0.00 -0.36 0.00 0.00 55.97 58.33 2nxh s LYS 4125Cb -0.26 -3.71 -0.09 0.00 -1.51 0.00 0.00 37.83 32.26 2nxh s LYS 4125CO 0.21 -0.78 1.13 0.41 -0.36 0.00 0.00 175.35 175.96 2nxh n GLY 4126N 4.08 0.14 0.02 5.54 0.00 -1.23 -4.59 105.19 109.15 2nxh n GLY 4126Ca 0.17 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.37 2nxh n GLY 4126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nxh n GLN 4127N -0.08 0.03 0.00 1.61 3.00 -1.26 -1.72 117.38 118.96 2nxh n GLN 4127Ca 0.09 0.37 0.09 0.00 -0.01 0.00 0.00 57.00 57.54 2nxh n GLN 4127Cb 0.40 -1.57 0.02 0.00 0.00 0.00 0.00 30.24 29.10 2nxh n GLN 4127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nxh n PHE 4128N -1.63 0.00 -3.58 1.08 1.16 -1.26 -1.47 117.46 111.76 2nxh n PHE 4128Ca 0.02 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.23 2nxh n PHE 4128Cb 0.12 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.92 2nxh n PHE 4128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nxh s LEU 4129N -1.98 4.37 0.43 5.98 2.96 -0.70 -5.06 118.68 124.68 2nxh s LEU 4129Ca 0.17 0.71 -0.22 0.00 -0.22 0.00 0.00 54.13 54.58 2nxh s LEU 4129Cb 0.15 -2.42 -0.10 0.00 0.50 0.00 0.00 46.19 44.32 2nxh s LEU 4129CO 0.38 0.25 0.97 0.00 -1.32 0.00 0.00 176.35 176.64 2nxh s ALA 4130N -0.48 3.03 0.32 5.97 0.00 -1.26 -4.88 121.76 124.47 2nxh s ALA 4130Ca 0.20 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2nxh s ALA 4130Cb -0.14 -3.18 0.70 0.00 0.00 0.00 0.00 23.12 20.50 2nxh s ALA 4130CO 0.08 0.04 1.85 -1.35 0.00 0.00 0.00 175.76 176.38 2nxh h PRO 4131N 2.00 0.80 0.00 0.00 0.11 -1.97 -0.96 132.00 131.98 2nxh h PRO 4131Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2nxh h PRO 4131Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2nxh h PRO 4131CO 0.61 0.53 0.00 -2.67 -0.21 0.00 0.00 178.00 176.26 2nxh n TRP 4132N -4.59 0.46 0.72 0.65 2.14 -1.26 -2.68 117.44 112.87 2nxh n TRP 4132Ca 0.18 0.16 0.13 0.00 2.07 0.00 0.00 57.50 60.04 2nxh n TRP 4132Cb 0.42 -0.76 0.47 0.00 -0.81 0.00 0.00 31.31 30.63 2nxh n TRP 4132CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 2nxh n ASP 4133N -1.90 0.55 0.25 -0.67 8.00 -0.37 -3.25 116.55 119.16 2nxh n ASP 4133Ca 0.04 0.56 0.16 0.00 0.71 0.00 0.00 54.79 56.26 2nxh n ASP 4133Cb 0.29 -0.70 0.62 0.00 -0.02 0.00 0.00 41.12 41.31 2nxh n ASP 4133CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2nxh h THR 4134N 0.00 0.00 -0.43 -3.53 1.35 -1.59 -3.11 112.91 105.60 2nxh h THR 4134Ca 0.00 -0.51 0.06 0.00 -0.55 0.00 0.00 66.41 65.41 2nxh h THR 4134Cb 0.63 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 68.48 2nxh h THR 4134CO 0.00 0.00 0.14 0.50 -0.25 0.00 0.00 175.52 175.91 2nxh h LYS 4135N 0.00 0.30 0.00 4.72 3.64 -1.77 -0.67 116.57 122.79 2nxh h LYS 4135Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2nxh h LYS 4135Cb 0.53 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2nxh h LYS 4135CO 0.00 0.20 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.33 2nxh h ASN 4136N 0.31 0.00 -0.29 4.20 -0.26 -1.80 -1.57 115.58 116.17 2nxh h ASN 4136Ca 0.20 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 2nxh h ASN 4136Cb 0.20 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2nxh h ASN 4136CO -0.21 0.13 -0.07 0.58 -1.06 0.00 0.00 177.43 176.80 2nxh h VAL 4137N 0.00 1.28 -0.78 2.81 2.07 -1.27 -2.45 116.25 117.92 2nxh h VAL 4137Ca -0.00 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2nxh h VAL 4137Cb 0.25 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2nxh h VAL 4137CO 0.02 0.35 0.42 0.58 0.02 0.00 0.00 177.57 178.96 2nxh h VAL 4138N 0.33 1.24 -0.65 2.57 2.07 -0.73 -2.68 116.25 118.39 2nxh h VAL 4138Ca 0.07 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.05 2nxh h VAL 4138Cb 0.55 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2nxh h VAL 4138CO 0.03 0.27 0.34 -0.08 0.02 0.00 0.00 177.57 178.15 2nxh h GLU 4139N 1.09 0.61 -0.02 1.57 4.81 -1.12 -0.47 114.58 121.05 2nxh h GLU 4139Ca 0.27 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2nxh h GLU 4139Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2nxh h GLU 4139CO -0.04 0.40 -0.07 0.87 -0.73 0.00 0.00 179.01 179.44 2nxh h LYS 4140N 0.63 -0.11 -0.62 1.92 1.57 -1.11 -0.28 116.57 118.56 2nxh h LYS 4140Ca 0.30 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2nxh h LYS 4140Cb 0.22 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2nxh h LYS 4140CO -0.20 -0.07 0.39 -0.07 -0.57 0.00 0.00 179.45 178.93 2nxh h LEU 4141N -0.11 0.65 -0.39 2.94 3.38 -1.25 -0.03 115.31 120.49 2nxh h LEU 4141Ca 0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2nxh h LEU 4141Cb 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2nxh h LEU 4141CO -0.08 0.45 0.14 0.11 0.09 0.00 0.00 178.44 179.16 2nxh h LYS 4142N 0.77 0.59 -0.86 1.13 1.57 -0.84 -0.27 116.57 118.67 2nxh h LYS 4142Ca 0.24 -0.11 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 2nxh h LYS 4142Cb -0.01 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 2nxh h LYS 4142CO -0.09 0.57 0.56 0.35 -0.57 0.00 0.00 179.45 180.27 2nxh h PHE 4143N 0.48 0.93 0.00 -1.35 3.57 -0.53 0.15 116.94 120.19 2nxh h PHE 4143Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2nxh h PHE 4143Cb 0.21 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2nxh h PHE 4143CO 0.00 0.46 0.00 0.41 -2.23 0.00 0.00 178.31 176.95 2nxh n GLY 4144N -1.41 -0.98 0.00 2.40 0.00 -0.07 -4.90 105.19 100.23 2nxh n GLY 4144Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2nxh n GLY 4144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4145N 0.90 0.54 3.76 -0.02 0.00 0.52 -3.87 105.19 107.02 2nxh n GLY 4145Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2nxh n GLY 4145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh s ALA 4146N -2.00 3.43 -0.09 4.61 0.00 -0.17 -4.93 121.76 122.60 2nxh s ALA 4146Ca 0.00 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 2nxh s ALA 4146Cb 0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2nxh s ALA 4146CO 0.00 -0.37 -0.09 1.63 0.00 0.00 0.00 175.76 176.93 2nxh n LYS 4147N 0.96 0.23 -3.31 0.00 5.02 -1.26 -4.37 118.16 115.43 2nxh n LYS 4147Ca -0.00 0.06 -0.46 0.00 -2.02 0.00 0.00 58.31 55.89 2nxh n LYS 4147Cb 0.44 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 2nxh n LYS 4147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nxh s GLU 4148N -2.18 2.99 -0.09 1.97 2.12 -1.26 -5.05 118.70 117.20 2nxh s GLU 4148Ca -0.13 -1.69 0.03 0.00 0.36 0.00 0.00 54.97 53.54 2nxh s GLU 4148Cb 0.04 -4.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.12 2nxh s GLU 4148CO 0.21 -1.32 -0.17 0.42 -0.54 0.00 0.00 175.26 173.86 2nxh s ILE 4149N 1.62 2.74 0.09 -3.70 1.01 -1.26 -1.10 121.20 120.60 2nxh s ILE 4149Ca 0.03 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.96 2nxh s ILE 4149Cb -0.30 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 2nxh s ILE 4149CO 0.03 0.56 -0.21 -0.31 0.00 0.00 0.00 174.94 175.00 2nxh s TYR 4150N -0.04 1.85 -0.11 3.97 1.51 0.46 -2.51 117.35 122.48 2nxh s TYR 4150Ca -0.04 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2nxh s TYR 4150Cb -0.14 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.68 2nxh s TYR 4150CO 0.04 0.18 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.99 2nxh s LEU 4151N -1.70 1.81 -0.22 -1.29 1.43 -0.19 -0.83 118.68 117.68 2nxh s LEU 4151Ca 0.07 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2nxh s LEU 4151Cb -0.10 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2nxh s LEU 4151CO 0.04 0.04 0.05 -0.89 0.23 0.00 0.00 176.35 175.82 2nxh s THR 4152N 0.91 4.37 -0.23 5.49 2.01 0.01 -1.18 115.64 127.01 2nxh s THR 4152Ca -0.08 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.49 2nxh s THR 4152Cb -0.15 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2nxh s THR 4152CO -0.01 0.39 0.94 -0.70 -0.69 0.00 0.00 174.62 174.55 2nxh s GLU 4153N 1.15 4.23 -0.05 4.92 2.56 0.99 -0.73 118.70 131.77 2nxh s GLU 4153Ca 0.04 1.16 0.18 0.00 0.00 0.00 0.00 54.97 56.35 2nxh s GLU 4153Cb -0.14 -3.64 0.34 0.00 2.00 0.00 0.00 34.13 32.68 2nxh s GLU 4153CO 0.03 -0.57 1.15 2.89 -0.56 0.00 0.00 175.26 178.20 2nxh n ARG 4154N 6.13 0.39 0.00 4.30 -4.01 -1.26 -0.31 116.66 121.90 2nxh n ARG 4154Ca 0.09 -2.10 0.00 0.00 -1.04 0.00 0.00 57.85 54.80 2nxh n ARG 4154Cb 0.47 -0.51 0.00 0.00 -3.04 0.00 0.00 32.46 29.38 2nxh n ARG 4154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2nxh n GLY 4155N -0.04 0.78 3.14 2.89 0.00 -1.26 -3.96 105.19 106.74 2nxh n GLY 4155Ca 0.08 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.13 2nxh n GLY 4155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxh s THR 4156N -2.94 1.11 0.08 2.61 2.01 -0.20 -4.34 115.64 113.97 2nxh s THR 4156Ca 0.00 -0.99 -0.34 0.00 0.31 0.00 0.00 61.69 60.66 2nxh s THR 4156Cb 0.00 -1.00 -0.14 0.00 0.01 0.00 0.00 72.50 71.37 2nxh s THR 4156CO 0.00 0.01 1.63 0.41 -0.69 0.00 0.00 174.62 175.97 2nxh n THR 4157N 1.91 0.14 -3.56 -0.82 -1.04 -0.54 -1.24 114.28 109.12 2nxh n THR 4157Ca -0.18 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 2nxh n THR 4157Cb 0.55 -1.52 -0.12 0.00 -1.82 0.00 0.00 70.33 67.41 2nxh n THR 4157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nxh s PHE 4158N 1.67 1.21 0.00 -1.42 5.36 -0.82 -4.81 117.98 119.16 2nxh s PHE 4158Ca 0.83 -1.93 0.00 0.00 -0.96 0.00 0.00 56.93 54.87 2nxh s PHE 4158Cb -0.73 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 40.66 2nxh s PHE 4158CO 0.43 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.79 2nxh n GLY 4159N 3.85 -0.48 3.88 13.12 0.00 -1.26 -4.27 105.19 120.03 2nxh n GLY 4159Ca 0.11 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 2nxh n GLY 4159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nxh s TYR 4160N 0.00 3.53 -1.45 1.61 2.02 -1.26 -4.49 117.35 117.31 2nxh s TYR 4160Ca 0.00 0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 2nxh s TYR 4160Cb 0.00 -1.85 0.08 0.00 -0.40 0.00 0.00 41.96 39.79 2nxh s TYR 4160CO 0.00 0.66 0.71 0.09 -1.57 0.00 0.00 175.55 175.44 2nxh n ASN 4161N 1.27 -4.40 -3.63 2.29 3.02 -1.26 -4.95 115.26 107.60 2nxh n ASN 4161Ca -0.14 -0.57 -0.15 0.00 -0.03 0.00 0.00 54.58 53.69 2nxh n ASN 4161Cb 0.53 -3.57 -0.07 0.00 -0.61 0.00 0.00 39.78 36.06 2nxh n ASN 4161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nxh s ASN 4162N -2.97 -0.43 0.04 6.41 3.04 -1.26 -4.20 114.94 115.57 2nxh s ASN 4162Ca 0.52 0.37 0.03 0.00 0.04 0.00 0.00 52.86 53.83 2nxh s ASN 4162Cb -0.26 0.44 -0.02 0.00 -1.54 0.00 0.00 41.25 39.86 2nxh s ASN 4162CO 0.64 -0.56 -0.10 -0.76 -3.04 0.00 0.00 177.10 173.28 2nxh s LEU 4163N -1.36 2.20 0.05 3.21 1.43 -1.26 -1.94 118.68 121.01 2nxh s LEU 4163Ca -0.11 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 2nxh s LEU 4163Cb -0.02 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 2nxh s LEU 4163CO 0.06 -0.07 -0.22 0.54 0.23 0.00 0.00 176.35 176.89 2nxh s VAL 4164N -1.02 1.81 -0.34 -1.59 0.11 -0.38 -4.86 120.40 114.13 2nxh s VAL 4164Ca -0.03 -1.31 -0.12 0.00 -2.93 0.00 0.00 61.98 57.59 2nxh s VAL 4164Cb -0.08 -1.57 -0.00 0.00 -1.53 0.00 0.00 36.38 33.19 2nxh s VAL 4164CO 0.01 0.21 0.22 -0.69 -3.33 0.00 0.00 175.10 171.52 2nxh s VAL 4165N -0.85 5.01 -0.75 2.04 1.01 -1.26 -1.04 120.40 124.56 2nxh s VAL 4165Ca 0.09 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2nxh s VAL 4165Cb -0.09 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.80 2nxh s VAL 4165CO 0.02 -0.05 0.86 -0.62 0.00 0.00 0.00 175.10 175.31 2nxh s ASP 4166N 1.67 6.44 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.86 2nxh s ASP 4166Ca 0.05 -1.87 0.02 0.00 -0.52 0.00 0.00 52.55 50.24 2nxh s ASP 4166Cb -0.18 -2.32 0.11 0.00 -1.46 0.00 0.00 42.92 39.07 2nxh s ASP 4166CO 0.09 -1.00 0.96 0.49 0.52 0.00 0.00 175.17 176.23 2nxh n PHE 4167N 5.97 0.00 0.29 -5.34 3.01 -1.26 -1.06 117.46 119.06 2nxh n PHE 4167Ca 0.06 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.70 2nxh n PHE 4167Cb 0.46 -0.38 0.81 0.00 -0.01 0.00 0.00 39.48 40.36 2nxh n PHE 4167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nxh h ARG 4168N 0.00 0.00 -0.05 -1.08 3.08 -2.03 -2.73 114.38 111.56 2nxh h ARG 4168Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2nxh h ARG 4168Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2nxh h ARG 4168CO 0.00 0.03 -0.33 0.66 -1.07 0.00 0.00 179.97 179.26 2nxh h SER 4169N 0.00 0.09 0.39 7.04 4.64 -1.52 -3.04 113.55 121.15 2nxh h SER 4169Ca -0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2nxh h SER 4169Cb 0.38 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2nxh h SER 4169CO 0.00 0.43 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.96 2nxh h LEU 4170N 0.08 -0.97 -1.27 5.97 4.07 -1.70 0.20 115.31 121.69 2nxh h LEU 4170Ca 0.01 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 2nxh h LEU 4170Cb 0.64 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 2nxh h LEU 4170CO 0.05 -0.51 -0.36 1.55 -1.08 0.00 0.00 178.44 178.09 2nxh h PRO 4171N -0.76 0.00 0.12 1.13 0.13 -1.75 -1.86 132.00 129.01 2nxh h PRO 4171Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 2nxh h PRO 4171Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2nxh h PRO 4171CO -0.05 0.36 -0.06 0.82 -0.23 0.00 0.00 178.00 178.84 2nxh h ILE 4172N 0.00 1.05 0.00 -3.56 2.04 -1.36 -3.17 117.51 112.50 2nxh h ILE 4172Ca -0.00 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 2nxh h ILE 4172Cb 0.67 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2nxh h ILE 4172CO 0.05 0.19 -0.21 0.24 0.00 0.00 0.00 178.15 178.42 2nxh h MET 4173N -0.55 0.00 0.00 2.37 2.86 -0.94 -2.70 114.93 115.98 2nxh h MET 4173Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2nxh h MET 4173Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2nxh h MET 4173CO 0.03 0.21 0.00 -0.22 1.06 0.00 0.00 176.91 177.98 2nxh h LYS 4174N 0.00 0.00 0.00 1.72 1.63 -1.31 -2.32 116.57 116.30 2nxh h LYS 4174Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2nxh h LYS 4174Cb 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2nxh h LYS 4174CO 0.03 0.00 -0.17 1.96 -3.45 0.00 0.00 179.45 177.81 2nxh h GLN 4175N 0.00 0.00 0.00 1.90 4.20 -1.55 -3.30 115.11 116.35 2nxh h GLN 4175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nxh h GLN 4175Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2nxh h GLN 4175CO 0.00 0.17 0.00 -2.67 -0.67 0.00 0.00 178.83 175.66 2nxh n TRP 4176N -4.14 0.00 -3.67 2.96 2.14 -0.89 -5.10 117.44 108.73 2nxh n TRP 4176Ca -0.02 -0.24 0.00 0.00 2.07 0.00 0.00 57.50 59.31 2nxh n TRP 4176Cb 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 31.31 30.72 2nxh n TRP 4176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nxh s ALA 4177N -0.49 -2.10 0.33 -1.67 0.00 -1.11 -4.98 121.76 111.74 2nxh s ALA 4177Ca 0.00 0.52 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 2nxh s ALA 4177Cb 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 2nxh s ALA 4177CO 0.00 -1.06 1.02 0.15 0.00 0.00 0.00 175.76 175.88 2nxh s LYS 4178N -2.60 4.47 -0.15 0.00 1.02 -1.04 -4.24 119.74 117.20 2nxh s LYS 4178Ca 0.14 1.54 -0.02 0.00 0.02 0.00 0.00 55.97 57.65 2nxh s LYS 4178Cb 0.03 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2nxh s LYS 4178CO -0.02 0.13 -0.08 0.08 -0.92 0.00 0.00 175.35 174.54 2nxh s VAL 4179N -1.47 3.45 -0.04 3.17 1.01 -1.26 -1.02 120.40 124.24 2nxh s VAL 4179Ca 0.50 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.00 2nxh s VAL 4179Cb -0.24 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2nxh s VAL 4179CO 0.30 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 175.15 2nxh s ILE 4180N 0.43 3.20 -0.26 2.22 -1.09 -0.33 0.20 121.20 125.57 2nxh s ILE 4180Ca -0.07 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 57.57 2nxh s ILE 4180Cb -0.15 -2.28 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 2nxh s ILE 4180CO 0.04 0.57 0.06 -0.47 -1.23 0.00 0.00 174.94 173.90 2nxh s TYR 4181N -0.77 3.09 -0.61 3.97 5.04 -0.55 -0.01 117.35 127.51 2nxh s TYR 4181Ca 0.12 -0.65 -0.23 0.00 -2.44 0.00 0.00 57.07 53.86 2nxh s TYR 4181Cb -0.11 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 40.03 2nxh s TYR 4181CO 0.01 -0.45 0.95 0.34 -1.34 0.00 0.00 175.55 175.07 2nxh s ASP 4182N 1.56 6.25 0.43 4.32 -1.08 0.57 -0.36 116.67 128.36 2nxh s ASP 4182Ca 0.05 -0.68 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 2nxh s ASP 4182Cb -0.16 -2.43 0.62 0.00 -1.46 0.00 0.00 42.92 39.50 2nxh s ASP 4182CO 0.02 -1.34 1.70 0.00 0.52 0.00 0.00 175.17 176.08 2nxh h ALA 4183N 9.45 0.94 0.00 3.66 0.00 -1.08 -3.15 119.26 129.07 2nxh h ALA 4183Ca -0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2nxh h ALA 4183Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2nxh h ALA 4183CO 1.13 0.19 -0.60 1.79 0.00 0.00 0.00 179.25 181.76 2nxh h THR 4184N 0.00 0.80 0.00 0.00 1.35 -1.89 -3.39 112.91 109.78 2nxh h THR 4184Ca -0.00 -1.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.03 2nxh h THR 4184Cb 0.92 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2nxh h THR 4184CO 0.02 0.27 -0.19 0.45 -0.25 0.00 0.00 175.52 175.82 2nxh h HIS 4185N -1.00 0.00 0.00 4.73 3.86 -1.91 -3.13 115.15 117.70 2nxh h HIS 4185Ca -0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.06 2nxh h HIS 4185Cb 0.86 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 2nxh h HIS 4185CO 0.06 0.19 -0.07 0.77 0.86 0.00 0.00 177.93 179.74 2nxh h SER 4186N 0.00 0.00 -0.32 2.45 0.02 -1.67 -2.74 113.55 111.29 2nxh h SER 4186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nxh h SER 4186Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 2nxh h SER 4186CO 0.02 0.07 0.00 1.33 -1.14 0.00 0.00 176.83 177.12 2nxh n VAL 4187N -3.38 1.13 -2.96 2.27 0.24 -1.18 -4.73 118.33 109.72 2nxh n VAL 4187Ca -0.01 -1.09 -0.36 0.00 -2.04 0.00 0.00 64.34 60.84 2nxh n VAL 4187Cb 0.23 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.96 2nxh n VAL 4187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nxh s GLN 4188N -1.18 4.37 -0.48 7.34 -2.07 -1.04 -1.40 119.66 125.20 2nxh s GLN 4188Ca 0.24 1.06 -0.13 0.00 -1.82 0.00 0.00 55.36 54.71 2nxh s GLN 4188Cb 0.14 -2.78 0.10 0.00 -1.09 0.00 0.00 33.01 29.37 2nxh s GLN 4188CO 0.14 0.31 0.39 -0.51 -1.32 0.00 0.00 175.29 174.30 2nxh s LEU 4189N -2.13 5.70 0.13 2.60 1.43 -0.82 -4.51 118.68 121.08 2nxh s LEU 4189Ca 0.48 -1.63 -0.35 0.00 -1.03 0.00 0.00 54.13 51.60 2nxh s LEU 4189Cb -0.17 -2.11 -0.16 0.00 0.03 0.00 0.00 46.19 43.79 2nxh s LEU 4189CO 0.21 -0.70 1.32 -2.65 0.23 0.00 0.00 176.35 174.77 2nxh n PRO 4190N 5.09 1.35 -3.21 1.29 -0.02 -1.26 -2.61 135.00 135.62 2nxh n PRO 4190Ca -0.11 0.48 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 2nxh n PRO 4190Cb 0.42 -2.10 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2nxh n PRO 4190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxh n GLY 4191N 2.46 -0.29 0.00 -1.23 0.00 -1.26 -4.17 105.19 100.71 2nxh n GLY 4191Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2nxh n GLY 4191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4198N -1.61 0.66 0.00 -0.02 0.00 -1.07 -5.01 105.19 98.13 2nxh n GLY 4198Ca -0.03 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2nxh n GLY 4198CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 4199N -0.56 2.64 2.66 -0.02 0.00 -1.26 -1.95 105.19 106.70 2nxh n GLY 4199Ca 0.00 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 2nxh n GLY 4199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxh s MET 4200N -2.00 1.34 0.59 1.61 -1.94 -0.50 -4.83 119.30 113.58 2nxh s MET 4200Ca 0.00 -2.19 0.29 0.00 -1.71 0.00 0.00 55.69 52.08 2nxh s MET 4200Cb 0.00 -2.25 1.44 0.00 2.01 0.00 0.00 34.83 36.03 2nxh s MET 4200CO 0.00 -1.23 1.85 -0.09 -0.01 0.00 0.00 175.02 175.54 2nxh h ARG 4201N 6.33 0.00 0.00 2.03 2.43 -1.87 -1.20 114.38 122.10 2nxh h ARG 4201Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2nxh h ARG 4201Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2nxh h ARG 4201CO 0.48 0.00 0.00 1.05 -1.51 0.00 0.00 179.97 179.99 2nxh h GLU 4202N 0.00 0.00 -0.01 0.20 4.11 -1.94 -1.80 114.58 115.14 2nxh h GLU 4202Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2nxh h GLU 4202Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2nxh h GLU 4202CO -0.00 0.00 -0.30 1.19 0.07 0.00 0.00 179.01 179.97 2nxh n PHE 4203N -2.47 0.00 0.22 2.06 3.72 -0.45 -4.55 117.46 115.98 2nxh n PHE 4203Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 2nxh n PHE 4203Cb 0.09 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 2nxh n PHE 4203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nxh h ILE 4204N 2.34 0.43 -0.24 4.37 2.04 -1.45 -2.20 117.51 122.80 2nxh h ILE 4204Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2nxh h ILE 4204Cb 0.65 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2nxh h ILE 4204CO 0.00 0.00 -0.02 0.15 0.00 0.00 0.00 178.15 178.28 2nxh h PHE 4205N -0.62 0.49 -0.54 1.37 -0.00 -1.81 -2.22 116.94 113.61 2nxh h PHE 4205Ca -0.03 -0.09 0.05 0.00 -0.00 0.00 0.00 57.97 57.90 2nxh h PHE 4205Cb 0.54 -0.12 -0.05 0.00 -0.00 0.00 0.00 35.95 36.32 2nxh h PHE 4205CO -0.14 0.63 0.27 -1.35 -0.00 0.00 0.00 178.31 177.72 2nxh h PRO 4206N 0.20 0.51 -0.05 6.41 0.11 -1.79 -1.97 132.00 135.42 2nxh h PRO 4206Ca 0.07 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2nxh h PRO 4206Cb 0.45 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2nxh h PRO 4206CO 0.02 0.34 -0.42 -0.07 -0.21 0.00 0.00 178.00 177.65 2nxh h LEU 4207N 0.53 0.12 -0.67 2.35 3.38 -1.36 -2.52 115.31 117.14 2nxh h LEU 4207Ca 0.24 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2nxh h LEU 4207Cb 0.15 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2nxh h LEU 4207CO -0.17 0.54 0.12 -0.29 0.09 0.00 0.00 178.44 178.73 2nxh h ILE 4208N 0.10 1.26 -0.74 1.22 2.10 -0.94 -0.72 117.51 119.80 2nxh h ILE 4208Ca 0.01 -1.02 -0.02 0.00 1.08 0.00 0.00 64.86 64.90 2nxh h ILE 4208Cb 0.79 0.63 -0.03 0.00 -1.09 0.00 0.00 36.82 37.12 2nxh h ILE 4208CO 0.06 0.38 0.36 0.03 -1.08 0.00 0.00 178.15 177.91 2nxh h ARG 4209N 1.02 1.04 -0.59 2.19 3.08 -1.09 -2.00 114.38 118.03 2nxh h ARG 4209Ca 0.20 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 2nxh h ARG 4209Cb 0.43 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2nxh h ARG 4209CO 0.01 0.80 -0.03 0.00 -1.07 0.00 0.00 179.97 179.68 2nxh h ALA 4210N 1.36 0.83 -0.06 0.04 0.00 -0.99 -1.64 119.26 118.79 2nxh h ALA 4210Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nxh h ALA 4210Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nxh h ALA 4210CO -0.03 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.92 2nxh h ALA 4211N 1.00 0.08 -0.18 0.00 0.00 -0.55 -0.55 119.26 119.06 2nxh h ALA 4211Ca 0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2nxh h ALA 4211Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2nxh h ALA 4211CO 0.04 -0.37 -0.33 -0.39 0.00 0.00 0.00 179.25 178.20 2nxh h VAL 4212N 0.00 1.28 -0.53 0.00 -1.51 -1.38 0.11 116.25 114.23 2nxh h VAL 4212Ca 0.02 -1.37 -0.09 0.00 -1.23 0.00 0.00 66.70 64.03 2nxh h VAL 4212Cb 0.09 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 2nxh h VAL 4212CO -0.00 0.42 -0.03 0.00 -1.23 0.00 0.00 177.57 176.73 2nxh h ALA 4213N 1.34 0.71 -0.11 5.19 0.00 -1.07 -3.05 119.26 122.27 2nxh h ALA 4213Ca 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2nxh h ALA 4213Cb 0.73 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2nxh h ALA 4213CO 0.06 0.56 -0.14 0.28 0.00 0.00 0.00 179.25 180.01 2nxh h VAL 4214N 0.82 1.37 0.00 0.00 2.07 -0.85 -3.47 116.25 116.19 2nxh h VAL 4214Ca 0.15 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2nxh h VAL 4214Cb 0.57 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2nxh h VAL 4214CO 0.03 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.62 2nxh n GLY 4215N 0.27 3.11 3.54 2.17 0.00 0.35 -4.84 105.19 109.79 2nxh n GLY 4215Ca -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 2nxh n GLY 4215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh n ASP 4217N -0.34 0.62 -3.63 0.00 8.00 0.13 -4.98 116.55 116.36 2nxh n ASP 4217Ca -0.05 -0.34 0.01 0.00 0.71 0.00 0.00 54.79 55.12 2nxh n ASP 4217Cb 0.62 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 42.19 2nxh n ASP 4217CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nxh s GLY 4218N -3.18 -0.39 -0.02 0.44 0.00 -1.03 -2.11 107.32 101.02 2nxh s GLY 4218Ca 0.09 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.54 2nxh s GLY 4218CO 0.75 0.13 -0.15 0.14 0.00 0.00 0.00 173.10 173.97 2nxh s VAL 4219N -2.51 1.25 -0.20 1.40 1.01 0.16 -1.48 120.40 120.03 2nxh s VAL 4219Ca 0.14 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2nxh s VAL 4219Cb 0.04 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2nxh s VAL 4219CO -0.03 0.36 -0.02 0.12 0.00 0.00 0.00 175.10 175.53 2nxh s PHE 4220N -0.16 3.00 -0.17 5.22 2.19 0.51 -1.07 117.98 127.51 2nxh s PHE 4220Ca 0.02 -0.58 -0.07 0.00 0.33 0.00 0.00 56.93 56.63 2nxh s PHE 4220Cb -0.08 -2.07 0.07 0.00 -1.31 0.00 0.00 43.02 39.63 2nxh s PHE 4220CO 0.00 -0.31 0.36 0.00 1.83 0.00 0.00 175.22 177.10 2nxh s MET 4221N 1.07 0.27 0.35 10.12 0.23 -0.19 -0.49 119.30 130.66 2nxh s MET 4221Ca 0.02 0.88 -0.20 0.00 -1.03 0.00 0.00 55.69 55.35 2nxh s MET 4221Cb -0.14 0.14 -0.10 0.00 -1.53 0.00 0.00 34.83 33.19 2nxh s MET 4221CO 0.01 -0.24 0.86 -1.21 -2.03 0.00 0.00 175.02 172.41 2nxh s GLU 4222N 2.27 4.26 0.08 3.16 2.02 -1.26 -3.69 118.70 125.54 2nxh s GLU 4222Ca -0.03 1.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.97 2nxh s GLU 4222Cb -0.11 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 2nxh s GLU 4222CO -0.11 0.15 0.00 -0.08 0.02 0.00 0.00 175.26 175.24 2nxh s THR 4223N -1.90 0.18 -0.21 3.63 -1.32 -0.02 -1.47 115.64 114.53 2nxh s THR 4223Ca 0.54 -1.83 -0.27 0.00 -1.21 0.00 0.00 61.69 58.92 2nxh s THR 4223Cb -0.13 -1.70 0.08 0.00 -1.51 0.00 0.00 72.50 69.25 2nxh s THR 4223CO 0.18 -0.81 0.78 -2.28 -2.21 0.00 0.00 174.62 170.28 2nxh s HIS 4224N -3.96 -0.67 0.21 9.09 5.04 -0.63 -3.31 115.29 121.06 2nxh s HIS 4224Ca 0.13 1.49 -0.10 0.00 -1.54 0.00 0.00 55.06 55.03 2nxh s HIS 4224Cb 0.08 0.34 0.29 0.00 0.04 0.00 0.00 32.58 33.32 2nxh s HIS 4224CO -0.06 -0.41 1.70 -1.35 -2.34 0.00 0.00 174.74 172.28 2nxh h PRO 4225N 4.15 0.25 -2.82 2.88 0.11 -1.96 -2.92 132.00 131.69 2nxh h PRO 4225Ca -0.27 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.22 2nxh h PRO 4225Cb 1.16 -0.06 -0.40 0.00 0.11 0.00 0.00 31.00 31.82 2nxh h PRO 4225CO 0.17 0.16 -0.78 -1.21 -0.21 0.00 0.00 178.00 176.13 2nxh s GLU 4226N -6.11 1.18 0.30 1.05 2.02 -1.26 -4.55 118.70 111.34 2nxh s GLU 4226Ca -0.13 -2.00 0.05 0.00 0.02 0.00 0.00 54.97 52.91 2nxh s GLU 4226Cb 0.18 -2.08 0.81 0.00 0.10 0.00 0.00 34.13 33.14 2nxh s GLU 4226CO 0.74 -1.22 1.63 -1.35 0.02 0.00 0.00 175.26 175.09 2nxh h PRO 4227N 6.51 0.18 -0.34 0.39 0.11 -1.84 0.14 132.00 137.14 2nxh h PRO 4227Ca 0.06 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.26 2nxh h PRO 4227Cb 0.92 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2nxh h PRO 4227CO 0.44 0.12 0.33 1.05 -0.21 0.00 0.00 178.00 179.73 2nxh h GLU 4228N 0.18 0.00 -0.40 1.05 4.11 -1.92 -1.73 114.58 115.87 2nxh h GLU 4228Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2nxh h GLU 4228Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2nxh h GLU 4228CO -0.69 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.02 2nxh n LYS 4229N -3.89 2.43 -1.90 1.06 5.02 0.48 -4.99 118.16 116.38 2nxh n LYS 4229Ca 0.05 -2.24 -0.40 0.00 -2.02 0.00 0.00 58.31 53.71 2nxh n LYS 4229Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2nxh n LYS 4229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nxh s ALA 4230N -1.34 3.38 -2.10 7.82 0.00 -0.65 -4.89 121.76 123.97 2nxh s ALA 4230Ca 0.37 1.42 0.28 0.00 0.00 0.00 0.00 51.96 54.02 2nxh s ALA 4230Cb 0.21 -3.56 1.51 0.00 0.00 0.00 0.00 23.12 21.29 2nxh s ALA 4230CO 0.29 -0.99 1.99 1.28 0.00 0.00 0.00 175.76 178.33 2nxh n LEU 4231N 0.21 0.37 -3.65 0.00 4.77 -1.26 -4.42 117.00 113.01 2nxh n LEU 4231Ca 0.03 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 2nxh n LEU 4231Cb 0.41 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2nxh n LEU 4231CO 0.60 0.07 0.34 -0.55 -1.33 0.00 0.00 177.39 176.51 2nxh s SER 4232N -1.88 -0.78 -1.36 -1.43 0.15 -1.26 -4.33 113.70 102.81 2nxh s SER 4232Ca 0.41 1.38 -0.01 0.00 0.70 0.00 0.00 55.95 58.43 2nxh s SER 4232Cb 0.20 1.34 0.01 0.00 -1.71 0.00 0.00 66.02 65.85 2nxh s SER 4232CO 0.32 -0.23 0.11 0.47 1.20 0.00 0.00 173.24 175.11 2nxh n ASP 4233N 3.43 -4.77 -0.32 5.45 8.00 -1.26 -4.84 116.55 122.24 2nxh n ASP 4233Ca -0.17 0.02 0.21 0.00 0.71 0.00 0.00 54.79 55.56 2nxh n ASP 4233Cb 0.57 -3.98 0.42 0.00 -0.02 0.00 0.00 41.12 38.11 2nxh n ASP 4233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nxh h ALA 4234N 1.00 1.72 0.00 2.24 0.00 -1.81 -0.74 119.26 121.67 2nxh h ALA 4234Ca -0.40 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nxh h ALA 4234Cb 1.29 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2nxh h ALA 4234CO 0.46 -0.60 0.00 -0.35 0.00 0.00 0.00 179.25 178.76 2nxh n PRO 4235N -5.17 0.78 0.00 0.00 -0.04 -1.26 -3.67 135.00 125.63 2nxh n PRO 4235Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2nxh n PRO 4235Cb 0.92 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 2nxh n PRO 4235CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nxh n THR 4236N -0.26 0.00 -2.23 0.52 -2.24 -0.29 -3.97 114.28 105.81 2nxh n THR 4236Ca 0.00 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 2nxh n THR 4236Cb 0.08 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 2nxh n THR 4236CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nxh s ALA 4237N -0.29 3.51 0.09 6.98 0.00 -1.22 -4.86 121.76 125.98 2nxh s ALA 4237Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 2nxh s ALA 4237Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 2nxh s ALA 4237CO 0.00 -0.51 0.82 -1.17 0.00 0.00 0.00 175.76 174.89 2nxh s LEU 4238N -0.43 4.50 0.28 0.00 2.96 -0.54 -4.71 118.68 120.75 2nxh s LEU 4238Ca 0.55 1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 2nxh s LEU 4238Cb -0.36 -3.34 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 2nxh s LEU 4238CO 0.40 0.05 1.56 -2.84 -1.32 0.00 0.00 176.35 174.20 2nxh s PRO 4239N -0.32 4.15 0.32 0.98 0.02 -1.26 -1.60 135.00 137.29 2nxh s PRO 4239Ca 0.40 2.52 0.11 0.00 0.02 0.00 0.00 61.00 64.04 2nxh s PRO 4239Cb -0.22 -3.04 0.96 0.00 0.02 0.00 0.00 34.50 32.22 2nxh s PRO 4239CO 0.25 -0.58 1.68 -0.07 -0.33 0.00 0.00 177.00 177.95 2nxh h LEU 4240N 4.85 0.49 -2.06 -5.54 3.38 -1.75 0.94 115.31 115.62 2nxh h LEU 4240Ca -0.47 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2nxh h LEU 4240Cb 1.22 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2nxh h LEU 4240CO 0.79 -0.06 -0.02 0.77 0.09 0.00 0.00 178.44 180.00 2nxh h SER 4241N 0.39 0.00 1.58 -0.43 4.64 -1.90 -2.91 113.55 114.92 2nxh h SER 4241Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 2nxh h SER 4241Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 2nxh h SER 4241CO -0.57 0.02 -0.19 1.56 -0.87 0.00 0.00 176.83 176.79 2nxh h GLN 4242N 0.00 0.00 -0.31 4.77 4.20 -1.16 -3.38 115.11 119.23 2nxh h GLN 4242Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2nxh h GLN 4242Cb 0.31 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 2nxh h GLN 4242CO 0.00 0.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.07 2nxh h LEU 4243N 0.00 -0.18 0.01 1.46 4.07 -1.58 -2.64 115.31 116.45 2nxh h LEU 4243Ca 0.00 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.06 2nxh h LEU 4243Cb 0.88 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.72 2nxh h LEU 4243CO 0.00 -0.05 -0.47 -0.08 -1.08 0.00 0.00 178.44 176.75 2nxh h GLU 4244N 0.06 -0.61 -0.71 1.13 4.81 -1.80 0.12 114.58 117.58 2nxh h GLU 4244Ca 0.15 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2nxh h GLU 4244Cb 0.21 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 2nxh h GLU 4244CO -0.27 -0.41 0.39 0.78 -0.73 0.00 0.00 179.01 178.77 2nxh h GLY 4245N -0.63 1.05 1.00 1.92 0.00 -1.80 -1.49 103.07 103.12 2nxh h GLY 4245Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2nxh h GLY 4245CO -0.33 0.13 0.14 -2.22 0.00 0.00 0.00 176.54 174.27 2nxh h ILE 4246N 0.69 1.25 -0.62 2.60 2.04 -1.06 -2.28 117.51 120.13 2nxh h ILE 4246Ca 0.33 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2nxh h ILE 4246Cb 0.25 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2nxh h ILE 4246CO -0.21 0.33 0.11 0.40 0.00 0.00 0.00 178.15 178.77 2nxh h ILE 4247N 0.81 1.26 -0.90 -0.67 2.04 -0.28 -1.73 117.51 118.04 2nxh h ILE 4247Ca 0.18 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.10 2nxh h ILE 4247Cb 0.34 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 2nxh h ILE 4247CO 0.00 0.37 0.57 -0.08 0.00 0.00 0.00 178.15 179.01 2nxh h GLU 4248N 0.93 1.04 -0.39 2.37 4.57 -1.15 -1.36 114.58 120.58 2nxh h GLU 4248Ca 0.19 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2nxh h GLU 4248Cb 0.42 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 2nxh h GLU 4248CO 0.01 0.69 0.07 0.00 -1.18 0.00 0.00 179.01 178.60 2nxh h ALA 4249N 1.40 0.52 -0.50 2.92 0.00 -0.82 -1.30 119.26 121.48 2nxh h ALA 4249Ca 0.38 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2nxh h ALA 4249Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2nxh h ALA 4249CO -0.15 0.22 0.03 -0.84 0.00 0.00 0.00 179.25 178.51 2nxh h ILE 4250N 0.50 1.24 -0.70 0.00 3.07 -0.88 -0.21 117.51 120.54 2nxh h ILE 4250Ca 0.12 -0.97 -0.05 0.00 1.55 0.00 0.00 64.86 65.51 2nxh h ILE 4250Cb 0.35 0.82 -0.03 0.00 -0.27 0.00 0.00 36.82 37.69 2nxh h ILE 4250CO 0.01 0.35 0.25 -0.07 -1.05 0.00 0.00 178.15 177.63 2nxh h LEU 4251N 0.78 0.99 -0.55 0.16 3.38 -1.01 0.48 115.31 119.53 2nxh h LEU 4251Ca 0.15 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2nxh h LEU 4251Cb 0.42 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2nxh h LEU 4251CO 0.02 0.91 -0.59 -0.33 0.09 0.00 0.00 178.44 178.54 2nxh h GLU 4252N 1.00 0.44 0.01 1.13 5.08 -0.83 -1.68 114.58 119.72 2nxh h GLU 4252Ca 0.23 -0.29 -0.20 0.00 -1.00 0.00 0.00 59.36 58.10 2nxh h GLU 4252Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2nxh h GLU 4252CO -0.01 0.90 -0.89 0.82 -1.00 0.00 0.00 179.01 178.82 2nxh h ILE 4253N 0.33 1.50 -0.21 3.13 2.04 -0.89 -3.00 117.51 120.41 2nxh h ILE 4253Ca -0.00 -2.64 -0.05 0.00 1.00 0.00 0.00 64.86 63.17 2nxh h ILE 4253Cb 1.12 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.67 2nxh h ILE 4253CO 0.10 0.77 -0.06 -0.09 0.00 0.00 0.00 178.15 178.87 2nxh h ARG 4254N 0.11 0.41 -0.58 2.37 2.43 -0.83 0.85 114.38 119.15 2nxh h ARG 4254Ca -0.05 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2nxh h ARG 4254Cb 1.52 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.98 2nxh h ARG 4254CO 0.14 0.67 0.18 1.49 -1.51 0.00 0.00 179.97 180.93 2nxh h GLU 4255N 0.13 0.33 0.02 0.20 4.81 -1.33 0.43 114.58 119.19 2nxh h GLU 4255Ca 0.05 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.03 2nxh h GLU 4255Cb 0.52 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2nxh h GLU 4255CO 0.02 0.22 -1.00 0.28 -0.73 0.00 0.00 179.01 177.81 2nxh h VAL 4256N 0.34 1.42 0.06 0.32 2.07 -1.44 -3.37 116.25 115.64 2nxh h VAL 4256Ca 0.29 -2.55 -0.28 0.00 0.82 0.00 0.00 66.70 64.99 2nxh h VAL 4256Cb 0.38 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2nxh h VAL 4256CO -0.33 0.76 -1.43 0.00 0.02 0.00 0.00 177.57 176.59 2nxh h ALA 4257N 0.71 0.41 -1.22 1.67 0.00 -0.39 -3.36 119.26 117.07 2nxh h ALA 4257Ca -0.09 -1.14 0.36 0.00 0.00 0.00 0.00 54.91 54.04 2nxh h ALA 4257Cb 1.65 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 2nxh h ALA 4257CO 0.17 1.27 0.90 0.66 0.00 0.00 0.00 179.25 182.25 2nxh h SER 4258N 0.03 0.00 -0.10 0.00 4.64 -0.31 0.35 113.55 118.17 2nxh h SER 4258Ca -0.19 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2nxh h SER 4258Cb 1.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2nxh h SER 4258CO 0.13 0.00 0.11 0.50 -0.87 0.00 0.00 176.83 176.70 2nxh h LYS 4259N 0.00 0.00 -0.02 4.77 3.64 -1.79 -2.43 116.57 120.74 2nxh h LYS 4259Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2nxh h LYS 4259Cb 2.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.19 2nxh h LYS 4259CO -0.01 0.00 -0.20 0.66 -2.27 0.00 0.00 179.45 177.63 2nxh n TYR 4260N -3.88 0.00 -1.68 1.91 4.02 0.12 -4.98 117.16 112.68 2nxh n TYR 4260Ca -0.01 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.41 2nxh n TYR 4260Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.49 2nxh n TYR 4260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nxh n TYR 4261N 0.35 2.35 -1.67 -0.72 4.01 -0.92 -4.85 117.16 115.72 2nxh n TYR 4261Ca 0.08 -0.06 -0.46 0.00 -0.16 0.00 0.00 57.90 57.30 2nxh n TYR 4261Cb 0.39 -2.69 -0.04 0.00 -0.31 0.00 0.00 39.34 36.70 2nxh n TYR 4261CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2nxh n GLU 4262N 6.83 2.43 -2.46 -0.72 4.71 -1.26 -4.94 120.64 125.22 2nxh n GLU 4262Ca 0.23 0.89 -0.35 0.00 -0.01 0.00 0.00 57.16 57.91 2nxh n GLU 4262Cb 0.31 -2.79 -0.03 0.00 -1.01 0.00 0.00 31.44 27.92 2nxh n GLU 4262CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2nxh s THR 4263N 4.35 3.60 0.00 2.62 2.01 -1.26 -5.15 115.64 121.81 2nxh s THR 4263Ca 0.92 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.97 2nxh s THR 4263Cb -0.59 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.46 2nxh s THR 4263CO 0.48 -0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.25