#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkb n GLN 4004N 0.00 0.10 -2.49 3.44 -0.06 -1.26 -4.78 117.38 112.32 3dkb n GLN 4004Ca 0.00 -0.11 -0.40 0.00 -2.00 0.00 0.00 57.00 54.49 3dkb n GLN 4004Cb 0.00 -1.47 -0.02 0.00 -4.06 0.00 0.00 30.24 24.69 3dkb n GLN 4004CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3dkb s VAL 4005N 3.47 3.97 -0.30 1.69 0.11 -1.26 -4.87 120.40 123.22 3dkb s VAL 4005Ca 1.27 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 3dkb s VAL 4005Cb -0.80 -5.04 0.09 0.00 -1.53 0.00 0.00 36.38 29.09 3dkb s VAL 4005CO 0.49 -1.84 0.02 -0.76 -3.33 0.00 0.00 175.10 169.68 3dkb s LEU 4006N 5.45 3.56 0.27 2.54 1.43 -1.26 -5.10 118.68 125.57 3dkb s LEU 4006Ca 0.54 -1.74 -0.18 0.00 -1.03 0.00 0.00 54.13 51.72 3dkb s LEU 4006Cb 0.02 -1.35 -0.13 0.00 0.03 0.00 0.00 46.19 44.77 3dkb s LEU 4006CO 0.04 -0.34 0.17 -0.81 0.23 0.00 0.00 176.35 175.64 3dkb n PRO 4007N 4.50 0.00 0.15 1.29 -0.04 -1.26 -4.89 135.00 134.76 3dkb n PRO 4007Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 3dkb n PRO 4007Cb 0.42 -0.79 0.44 0.00 -0.04 0.00 0.00 33.50 33.54 3dkb n PRO 4007CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3dkb h GLN 4008N 0.41 0.00 -4.64 0.54 5.75 -2.00 -3.42 115.11 111.76 3dkb h GLN 4008Ca -0.27 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 57.98 3dkb h GLN 4008Cb 1.13 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 29.51 3dkb h GLN 4008CO 0.39 0.00 -0.72 0.00 -2.65 0.00 0.00 178.83 175.86 3dkb s ALA 4009N -3.26 0.81 0.35 3.38 0.00 -1.26 -4.17 121.76 117.60 3dkb s ALA 4009Ca 0.07 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3dkb s ALA 4009Cb 0.10 0.10 0.64 0.00 0.00 0.00 0.00 23.12 23.96 3dkb s ALA 4009CO 0.53 -0.13 1.92 -0.07 0.00 0.00 0.00 175.76 178.02 3dkb h LEU 4010N 3.67 0.54 -0.61 0.00 3.38 -1.87 -3.01 115.31 117.40 3dkb h LEU 4010Ca -0.36 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dkb h LEU 4010Cb 1.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dkb h LEU 4010CO 0.53 0.53 0.00 0.10 0.09 0.00 0.00 178.44 179.70 3dkb h TYR 4011N 0.58 0.00 0.00 1.13 -0.00 -1.90 -3.10 116.97 113.68 3dkb h TYR 4011Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.86 3dkb h TYR 4011Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.94 3dkb h TYR 4011CO 0.01 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.10 3dkb h LEU 4012N 0.00 0.00 -0.42 0.10 3.38 -1.90 -3.02 115.31 113.44 3dkb h LEU 4012Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkb h LEU 4012Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dkb h LEU 4012CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3dkb n SER 4013N -3.06 0.28 -2.72 -0.43 3.41 -1.17 -3.99 113.62 105.94 3dkb n SER 4013Ca 0.03 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.18 3dkb n SER 4013Cb 0.44 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 3dkb n SER 4013CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dkb n ASN 4014N -1.83 -2.43 0.28 4.04 2.85 -1.15 -4.81 115.26 112.21 3dkb n ASN 4014Ca 0.02 -2.11 0.13 0.00 -0.11 0.00 0.00 54.58 52.50 3dkb n ASN 4014Cb 0.13 1.28 0.82 0.00 1.24 0.00 0.00 39.78 43.26 3dkb n ASN 4014CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3dkb h MET 4015N 4.39 0.00 0.18 1.20 2.86 -1.66 -2.17 114.93 119.73 3dkb h MET 4015Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3dkb h MET 4015Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3dkb h MET 4015CO -0.02 0.01 -0.09 -0.09 1.06 0.00 0.00 176.91 177.79 3dkb h ARG 4016N 0.00 -0.23 -0.95 1.72 9.65 -1.95 -1.73 114.38 120.89 3dkb h ARG 4016Ca -0.00 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 3dkb h ARG 4016Cb 0.03 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.61 3dkb h ARG 4016CO 0.00 -0.03 0.63 -0.22 2.80 0.00 0.00 179.97 183.15 3dkb h LYS 4017N -0.39 1.24 -0.93 0.20 3.64 -1.80 -1.38 116.57 117.15 3dkb h LYS 4017Ca -0.02 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3dkb h LYS 4017Cb 0.31 -0.28 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3dkb h LYS 4017CO 0.04 0.82 0.60 0.00 -2.27 0.00 0.00 179.45 178.64 3dkb h ALA 4018N 1.41 1.47 -0.39 5.00 0.00 -1.18 0.06 119.26 125.63 3dkb h ALA 4018Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3dkb h ALA 4018Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3dkb h ALA 4018CO -0.08 0.40 -0.12 0.28 0.00 0.00 0.00 179.25 179.73 3dkb h VAL 4019N 1.08 1.25 -0.24 0.00 2.07 -0.34 -1.00 116.25 119.08 3dkb h VAL 4019Ca 0.39 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3dkb h VAL 4019Cb 0.15 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3dkb h VAL 4019CO -0.14 0.38 0.14 0.50 0.02 0.00 0.00 177.57 178.47 3dkb h LYS 4020N 0.63 0.32 0.02 1.57 3.64 -0.45 -1.06 116.57 121.24 3dkb h LYS 4020Ca 0.11 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dkb h LYS 4020Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3dkb h LYS 4020CO 0.04 0.25 -0.01 0.82 -2.27 0.00 0.00 179.45 178.28 3dkb h ILE 4021N 0.30 1.11 0.00 2.00 2.04 -1.09 -1.85 117.51 120.01 3dkb h ILE 4021Ca 0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dkb h ILE 4021Cb 0.01 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3dkb h ILE 4021CO -0.02 0.10 0.00 0.54 0.00 0.00 0.00 178.15 178.77 3dkb n ARG 4022N -5.02 0.07 -0.02 2.37 1.74 -0.40 -2.06 116.66 113.34 3dkb n ARG 4022Ca -0.08 0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 57.05 3dkb n ARG 4022Cb 0.11 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.92 3dkb n ARG 4022CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3dkb n GLU 4023N -1.40 0.74 0.08 5.56 2.13 -0.41 -4.23 120.64 123.10 3dkb n GLU 4023Ca 0.04 0.25 -0.04 0.00 0.66 0.00 0.00 57.16 58.07 3dkb n GLU 4023Cb 0.10 -1.67 0.16 0.00 0.27 0.00 0.00 31.44 30.30 3dkb n GLU 4023CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dkb h ARG 4024N 0.03 0.27 -0.27 5.31 3.08 -0.79 -3.36 114.38 118.66 3dkb h ARG 4024Ca -0.45 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 59.48 3dkb h ARG 4024Cb 1.99 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.99 3dkb h ARG 4024CO 0.05 0.71 -0.45 1.15 -1.07 0.00 0.00 179.97 180.36 3dkb h THR 4025N 0.22 0.00 0.00 2.04 2.02 -1.59 -2.08 112.91 113.52 3dkb h THR 4025Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 3dkb h THR 4025Cb 0.96 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3dkb h THR 4025CO 0.08 0.00 -0.17 1.55 0.37 0.00 0.00 175.52 177.35 3dkb h PRO 4026N -0.37 0.00 0.00 6.66 0.13 -1.78 -2.05 132.00 134.59 3dkb h PRO 4026Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3dkb h PRO 4026Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3dkb h PRO 4026CO -0.45 0.17 0.00 0.93 -0.23 0.00 0.00 178.00 178.42 3dkb h GLU 4027N 0.00 0.00 -0.02 0.86 4.39 -1.63 -2.81 114.58 115.37 3dkb h GLU 4027Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dkb h GLU 4027Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3dkb h GLU 4027CO 0.02 0.00 -0.05 -3.47 -1.16 0.00 0.00 179.01 174.35 3dkb n ASP 4028N -2.53 1.69 -4.67 1.42 -0.08 -0.77 -4.87 116.55 106.73 3dkb n ASP 4028Ca 0.03 -1.50 -0.41 0.00 -1.51 0.00 0.00 54.79 51.41 3dkb n ASP 4028Cb 0.36 0.03 -0.05 0.00 2.34 0.00 0.00 41.12 43.80 3dkb n ASP 4028CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3dkb s ILE 4029N -2.08 4.94 -0.31 5.18 1.01 -1.06 -1.19 121.20 127.69 3dkb s ILE 4029Ca 0.34 1.48 -0.20 0.00 0.00 0.00 0.00 60.65 62.26 3dkb s ILE 4029Cb 0.21 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 3dkb s ILE 4029CO 0.36 0.08 0.64 0.12 0.00 0.00 0.00 174.94 176.14 3dkb s PHE 4030N 1.90 3.21 -0.86 3.97 2.19 0.10 -4.95 117.98 123.55 3dkb s PHE 4030Ca 0.35 0.59 0.01 0.00 0.33 0.00 0.00 56.93 58.22 3dkb s PHE 4030Cb -0.16 -3.01 0.33 0.00 -1.31 0.00 0.00 43.02 38.86 3dkb s PHE 4030CO 0.13 -0.49 1.49 1.17 1.83 0.00 0.00 175.22 179.35 3dkb n LYS 4031N 5.91 4.60 -1.63 10.12 4.81 -1.26 -1.83 118.16 138.88 3dkb n LYS 4031Ca -0.01 -4.74 -0.47 0.00 -0.87 0.00 0.00 58.31 52.22 3dkb n LYS 4031Cb 0.49 -2.38 -0.05 0.00 0.02 0.00 0.00 35.03 33.11 3dkb n LYS 4031CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3dkb n PRO 4032N -0.11 2.06 -0.29 1.64 -0.04 -1.26 -4.77 135.00 132.23 3dkb n PRO 4032Ca 0.41 0.71 0.04 0.00 -0.04 0.00 0.00 63.50 64.61 3dkb n PRO 4032Cb 0.31 -2.76 0.15 0.00 -0.04 0.00 0.00 33.50 31.17 3dkb n PRO 4032CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dkb n THR 4033N 5.94 0.85 0.02 0.52 -2.24 -1.26 -4.18 114.28 113.93 3dkb n THR 4033Ca 0.26 -0.51 -0.01 0.00 -2.27 0.00 0.00 64.05 61.52 3dkb n THR 4033Cb 0.32 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3dkb n THR 4033CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3dkb h ASN 4034N 1.69 -0.08 0.00 3.42 -1.24 -1.91 -3.49 115.58 113.97 3dkb h ASN 4034Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3dkb h ASN 4034Cb 0.84 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.91 3dkb h ASN 4034CO 0.12 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.97 3dkb n GLY 4035N 1.33 -0.05 3.77 1.57 0.00 -1.26 -5.03 105.19 105.52 3dkb n GLY 4035Ca -0.01 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3dkb n GLY 4035CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dkb s ILE 4036N -1.40 3.21 0.80 -0.61 1.10 -1.26 -3.22 121.20 119.82 3dkb s ILE 4036Ca 0.00 0.53 -0.12 0.00 -0.51 0.00 0.00 60.65 60.55 3dkb s ILE 4036Cb 0.00 -3.04 0.08 0.00 0.15 0.00 0.00 42.46 39.65 3dkb s ILE 4036CO 0.00 -0.38 1.14 0.27 -2.11 0.00 0.00 174.94 173.86 3dkb s ILE 4037N -2.43 2.64 0.36 2.00 -4.36 -1.26 -4.63 121.20 113.51 3dkb s ILE 4037Ca 0.66 0.24 -0.27 0.00 -0.26 0.00 0.00 60.65 61.02 3dkb s ILE 4037Cb -0.20 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.84 3dkb s ILE 4037CO 0.44 -0.24 1.15 -1.00 0.24 0.00 0.00 174.94 175.54 3dkb s HIS 4038N -2.55 3.22 0.13 1.37 3.76 -1.26 -4.72 115.29 115.24 3dkb s HIS 4038Ca 0.67 1.59 -0.14 0.00 -0.15 0.00 0.00 55.06 57.02 3dkb s HIS 4038Cb -0.22 -3.37 0.02 0.00 1.11 0.00 0.00 32.58 30.13 3dkb s HIS 4038CO 0.53 -1.10 0.36 -3.38 -0.85 0.00 0.00 174.74 170.30 3dkb s HIS 4039N -1.35 -0.08 0.45 1.40 -3.43 -0.76 -4.42 115.29 107.11 3dkb s HIS 4039Ca 0.53 -0.27 -0.19 0.00 -0.80 0.00 0.00 55.06 54.33 3dkb s HIS 4039Cb -0.31 0.18 -0.10 0.00 -1.43 0.00 0.00 32.58 30.92 3dkb s HIS 4039CO 0.40 -0.69 0.95 -0.06 -2.00 0.00 0.00 174.74 173.34 3dkb s PHE 4040N -3.83 3.36 -0.11 0.38 0.40 -1.01 0.01 117.98 117.18 3dkb s PHE 4040Ca 0.05 1.54 -0.04 0.00 -0.60 0.00 0.00 56.93 57.88 3dkb s PHE 4040Cb 0.02 -2.81 -0.26 0.00 0.51 0.00 0.00 43.02 40.48 3dkb s PHE 4040CO -0.10 -0.18 0.41 1.63 0.70 0.00 0.00 175.22 177.67 3dkb n LYS 4041N -0.94 0.75 0.00 0.44 5.02 -0.33 -4.86 118.16 118.24 3dkb n LYS 4041Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3dkb n LYS 4041Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3dkb n LYS 4041CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3dkb n THR 4042N -3.43 0.00 0.30 -0.18 -2.24 -1.26 -4.93 114.28 102.54 3dkb n THR 4042Ca -0.30 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.66 3dkb n THR 4042Cb 1.05 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 70.03 3dkb n THR 4042CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3dkb h MET 4043N 0.00 0.00 0.00 -0.78 2.86 -1.90 -2.56 114.93 112.55 3dkb h MET 4043Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkb h MET 4043Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dkb h MET 4043CO 0.00 0.00 0.00 -2.39 1.06 0.00 0.00 176.91 175.58 3dkb n HIS 4044N -3.00 0.64 1.39 -0.22 1.44 -1.26 -1.86 115.22 112.34 3dkb n HIS 4044Ca 0.00 0.27 0.12 0.00 -2.01 0.00 0.00 57.72 56.10 3dkb n HIS 4044Cb 0.26 -0.93 0.46 0.00 0.12 0.00 0.00 29.99 29.90 3dkb n HIS 4044CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dkb n ARG 4045N -2.09 1.68 -3.10 -1.40 1.74 -0.96 -4.90 116.66 107.62 3dkb n ARG 4045Ca 0.02 -1.00 -0.34 0.00 -0.77 0.00 0.00 57.85 55.76 3dkb n ARG 4045Cb 0.18 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3dkb n ARG 4045CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkb s TYR 4046N -1.90 3.45 -0.09 -1.55 4.12 -0.78 -4.96 117.35 115.64 3dkb s TYR 4046Ca 0.35 1.29 -0.07 0.00 0.02 0.00 0.00 57.07 58.67 3dkb s TYR 4046Cb 0.19 -2.58 0.03 0.00 -1.52 0.00 0.00 41.96 38.08 3dkb s TYR 4046CO 0.30 0.15 0.22 0.99 0.02 0.00 0.00 175.55 177.24 3dkb s THR 4047N -1.86 -0.01 0.20 -0.71 2.01 -1.24 -4.38 115.64 109.65 3dkb s THR 4047Ca 0.51 0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.66 3dkb s THR 4047Cb -0.12 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3dkb s THR 4047CO 0.18 0.02 -0.18 -1.48 -0.69 0.00 0.00 174.62 172.47 3dkb s LEU 4048N 0.43 2.67 0.01 4.42 0.05 -0.95 -1.06 118.68 124.26 3dkb s LEU 4048Ca -0.03 -0.78 0.02 0.00 0.05 0.00 0.00 54.13 53.40 3dkb s LEU 4048Cb -0.04 -1.35 -0.01 0.00 -2.05 0.00 0.00 46.19 42.74 3dkb s LEU 4048CO -0.02 0.10 -0.07 -1.61 -0.55 0.00 0.00 176.35 174.20 3dkb s GLU 4049N -2.85 0.52 0.52 1.48 2.02 -1.26 -4.55 118.70 114.58 3dkb s GLU 4049Ca 0.24 -0.43 -0.19 0.00 0.02 0.00 0.00 54.97 54.61 3dkb s GLU 4049Cb -0.08 -0.43 -0.07 0.00 0.10 0.00 0.00 34.13 33.65 3dkb s GLU 4049CO 0.13 0.11 1.04 -1.64 0.02 0.00 0.00 175.26 174.92 3dkb s MET 4050N -0.68 3.66 0.54 1.61 -1.94 -0.88 -4.79 119.30 116.81 3dkb s MET 4050Ca -0.02 1.31 -0.10 0.00 -1.71 0.00 0.00 55.69 55.16 3dkb s MET 4050Cb -0.05 -2.08 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 3dkb s MET 4050CO 0.00 -0.54 0.93 -0.59 -0.01 0.00 0.00 175.02 174.80 3dkb s PHE 4051N -2.14 3.57 -0.14 -0.03 -0.12 -1.26 -0.47 117.98 117.39 3dkb s PHE 4051Ca 0.66 1.16 -0.29 0.00 -0.05 0.00 0.00 56.93 58.40 3dkb s PHE 4051Cb -0.16 -2.58 -0.01 0.00 -0.63 0.00 0.00 43.02 39.63 3dkb s PHE 4051CO 0.25 -0.46 1.10 0.50 -0.05 0.00 0.00 175.22 176.57 3dkb s ARG 4052N -4.73 4.33 0.00 1.99 6.06 -1.26 -4.76 118.95 120.58 3dkb s ARG 4052Ca 0.53 1.49 0.20 0.00 -2.50 0.00 0.00 55.73 55.45 3dkb s ARG 4052Cb -0.11 -3.61 -0.05 0.00 0.06 0.00 0.00 34.95 31.25 3dkb s ARG 4052CO 0.45 -0.50 0.98 0.25 -2.50 0.00 0.00 175.30 173.98 3dkb n THR 4053N 4.93 0.00 0.96 4.11 -2.24 -1.26 -4.30 114.28 116.47 3dkb n THR 4053Ca 0.11 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3dkb n THR 4053Cb 0.47 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3dkb n THR 4053CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkb n GLN 4055N -0.19 2.89 -4.38 0.00 10.64 -1.26 -4.99 117.38 120.08 3dkb n GLN 4055Ca 0.00 -1.97 -0.24 0.00 -1.83 0.00 0.00 57.00 52.96 3dkb n GLN 4055Cb 0.07 -1.23 -0.09 0.00 -0.86 0.00 0.00 30.24 28.13 3dkb n GLN 4055CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3dkb s PHE 4056N -1.00 2.48 0.60 2.61 2.99 -0.47 -5.10 117.98 120.08 3dkb s PHE 4056Ca 0.20 -0.28 -0.19 0.00 0.00 0.00 0.00 56.93 56.65 3dkb s PHE 4056Cb 0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 43.02 41.97 3dkb s PHE 4056CO 0.13 0.64 1.13 0.00 -0.00 0.00 0.00 175.22 177.12 3dkb h PRO 4058N 0.69 -0.55 -0.96 0.00 0.11 -1.98 0.36 132.00 129.67 3dkb h PRO 4058Ca -0.49 0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.89 3dkb h PRO 4058Cb 1.35 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.51 3dkb h PRO 4058CO 0.53 -0.37 0.64 1.96 -0.21 0.00 0.00 178.00 180.55 3dkb h GLN 4059N -0.57 0.37 0.18 1.05 4.20 -2.01 -1.12 115.11 117.21 3dkb h GLN 4059Ca 0.05 -0.02 -0.30 0.00 0.06 0.00 0.00 58.65 58.44 3dkb h GLN 4059Cb 0.66 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.37 3dkb h GLN 4059CO -0.36 0.24 -1.43 0.35 -0.67 0.00 0.00 178.83 176.97 3dkb h PHE 4060N 0.38 0.70 -0.87 2.96 -0.00 -1.74 -3.21 116.94 115.16 3dkb h PHE 4060Ca 0.52 -0.51 0.20 0.00 -0.00 0.00 0.00 57.97 58.17 3dkb h PHE 4060Cb 1.34 -0.03 -0.12 0.00 -0.00 0.00 0.00 35.95 37.15 3dkb h PHE 4060CO -0.00 1.55 0.39 -0.09 -0.00 0.00 0.00 178.31 180.16 3dkb h ARG 4061N -0.07 0.43 -0.12 1.11 2.43 0.89 0.25 114.38 119.30 3dkb h ARG 4061Ca -0.28 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.76 3dkb h ARG 4061Cb 1.96 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 3dkb h ARG 4061CO 0.17 0.29 -0.40 1.49 -1.51 0.00 0.00 179.97 180.00 3dkb h GLU 4062N 0.44 0.26 -0.66 0.20 4.22 -1.41 -2.53 114.58 115.11 3dkb h GLU 4062Ca 0.52 -0.13 0.01 0.00 0.08 0.00 0.00 59.36 59.85 3dkb h GLU 4062Cb 0.93 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 3dkb h GLU 4062CO -0.49 0.63 0.43 0.82 -2.18 0.00 0.00 179.01 178.22 3dkb h ILE 4063N 0.22 1.14 0.37 2.32 2.04 -0.52 -0.57 117.51 122.52 3dkb h ILE 4063Ca 0.02 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3dkb h ILE 4063Cb 0.81 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3dkb h ILE 4063CO 0.06 0.16 -0.18 0.40 0.00 0.00 0.00 178.15 178.59 3dkb h ILE 4064N 0.86 0.58 -0.98 -0.67 2.04 -1.29 -2.93 117.51 115.13 3dkb h ILE 4064Ca 0.25 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.72 3dkb h ILE 4064Cb -0.06 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 3dkb h ILE 4064CO -0.07 0.09 0.62 0.45 0.00 0.00 0.00 178.15 179.24 3dkb h HIS 4065N -0.81 1.11 -0.27 1.37 3.86 -1.35 0.30 115.15 119.35 3dkb h HIS 4065Ca -0.05 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3dkb h HIS 4065Cb 0.53 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 3dkb h HIS 4065CO 0.01 0.46 -0.03 -0.22 0.86 0.00 0.00 177.93 179.02 3dkb h LYS 4066N 0.99 0.42 0.21 2.45 3.11 -1.13 -2.26 116.57 120.36 3dkb h LYS 4066Ca 0.48 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 3dkb h LYS 4066Cb 0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 3dkb h LYS 4066CO -0.24 0.47 -0.10 0.00 -2.81 0.00 0.00 179.45 176.77 3dkb h ALA 4067N 1.57 -0.28 0.08 5.00 0.00 -0.79 -3.41 119.26 121.44 3dkb h ALA 4067Ca 0.09 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3dkb h ALA 4067Cb 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dkb h ALA 4067CO 0.01 -0.29 -1.54 -0.07 0.00 0.00 0.00 179.25 177.36 3dkb h LEU 4068N -1.01 0.27 -9.75 0.00 3.38 -1.35 -3.42 115.31 103.43 3dkb h LEU 4068Ca -0.03 -0.40 -0.58 0.00 0.09 0.00 0.00 57.88 56.97 3dkb h LEU 4068Cb 0.39 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3dkb h LEU 4068CO 0.05 1.34 -0.10 -0.63 0.09 0.00 0.00 178.44 179.18 3dkb s ILE 4069N -2.62 4.87 -1.04 1.22 1.01 -0.85 -1.50 121.20 122.29 3dkb s ILE 4069Ca -0.08 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 3dkb s ILE 4069Cb 0.07 -3.78 0.09 0.00 0.01 0.00 0.00 42.46 38.85 3dkb s ILE 4069CO 0.84 0.43 1.38 -0.62 0.00 0.00 0.00 174.94 176.97 3dkb s ASP 4070N -1.38 6.63 0.49 3.58 -1.08 -0.08 -4.72 116.67 120.11 3dkb s ASP 4070Ca 0.31 -1.88 0.21 0.00 -0.52 0.00 0.00 52.55 50.67 3dkb s ASP 4070Cb -0.17 -2.50 1.25 0.00 -1.46 0.00 0.00 42.92 40.03 3dkb s ASP 4070CO 0.18 -1.27 2.04 0.03 0.52 0.00 0.00 175.17 176.67 3dkb h ARG 4071N 9.01 0.00 0.15 4.34 3.08 -1.88 -1.99 114.38 127.10 3dkb h ARG 4071Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3dkb h ARG 4071Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 3dkb h ARG 4071CO 1.32 0.15 -0.07 -0.91 -1.07 0.00 0.00 179.97 179.38 3dkb h ASN 4072N 0.00 -0.17 -0.26 7.04 2.35 -1.99 -1.19 115.58 121.35 3dkb h ASN 4072Ca -0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.40 3dkb h ASN 4072Cb 0.32 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3dkb h ASN 4072CO 0.02 0.16 -0.19 0.40 -1.65 0.00 0.00 177.43 176.17 3dkb h ILE 4073N -0.53 1.27 0.46 2.81 5.03 -1.97 -0.80 117.51 123.78 3dkb h ILE 4073Ca -0.02 -1.27 -0.01 0.00 -0.12 0.00 0.00 64.86 63.44 3dkb h ILE 4073Cb 0.41 1.18 -0.01 0.00 -3.03 0.00 0.00 36.82 35.37 3dkb h ILE 4073CO 0.03 0.42 -0.36 1.56 -0.68 0.00 0.00 178.15 179.13 3dkb h GLN 4074N 0.63 -0.78 -0.12 2.37 1.08 -1.33 -0.61 115.11 116.35 3dkb h GLN 4074Ca 0.10 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 3dkb h GLN 4074Cb 0.67 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 3dkb h GLN 4074CO 0.05 -0.52 0.01 0.00 -0.95 0.00 0.00 178.83 177.41 3dkb h ALA 4075N -0.41 0.11 0.04 3.87 0.00 -1.13 -0.82 119.26 120.91 3dkb h ALA 4075Ca -0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dkb h ALA 4075Cb 0.70 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3dkb h ALA 4075CO -0.00 -0.45 -0.16 1.15 0.00 0.00 0.00 179.25 179.78 3dkb h THR 4076N 0.05 0.61 -0.19 0.00 2.02 -0.99 0.20 112.91 114.60 3dkb h THR 4076Ca 0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3dkb h THR 4076Cb 0.06 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3dkb h THR 4076CO -0.09 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.54 3dkb h LEU 4077N -0.29 0.33 0.05 2.58 3.38 -1.02 -2.82 115.31 117.51 3dkb h LEU 4077Ca 0.04 -0.09 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 3dkb h LEU 4077Cb 0.34 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3dkb h LEU 4077CO -0.13 0.54 -1.18 -0.33 0.09 0.00 0.00 178.44 177.43 3dkb h GLU 4078N 0.31 0.45 -0.34 1.13 5.08 -0.87 -0.41 114.58 119.93 3dkb h GLU 4078Ca 0.05 -0.62 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3dkb h GLU 4078Cb 0.52 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3dkb h GLU 4078CO 0.03 1.26 0.22 0.77 -1.00 0.00 0.00 179.01 180.30 3dkb h SER 4079N 0.19 0.35 -0.56 1.42 0.02 -0.41 0.17 113.55 114.73 3dkb h SER 4079Ca -0.15 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 3dkb h SER 4079Cb 1.86 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 64.24 3dkb h SER 4079CO 0.21 0.25 0.14 0.00 -1.14 0.00 0.00 176.83 176.29 3dkb n GLN 4080N -4.49 3.66 -2.60 3.45 10.64 -1.08 -4.90 117.38 122.05 3dkb n GLN 4080Ca 0.02 -2.57 -0.13 0.00 -1.83 0.00 0.00 57.00 52.50 3dkb n GLN 4080Cb 0.10 -2.09 -0.00 0.00 -0.86 0.00 0.00 30.24 27.38 3dkb n GLN 4080CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3dkb n LYS 4081N 0.16 -2.53 0.04 2.61 4.76 0.05 -4.82 118.16 118.43 3dkb n LYS 4081Ca 0.30 0.50 0.11 0.00 -2.87 0.00 0.00 58.31 56.35 3dkb n LYS 4081Cb 1.15 -5.11 -0.03 0.00 -1.84 0.00 0.00 35.03 29.20 3dkb n LYS 4081CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3dkb n LYS 4082N -2.93 0.45 -4.22 1.97 3.00 -0.29 -4.55 118.16 111.59 3dkb n LYS 4082Ca -0.11 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.31 58.03 3dkb n LYS 4082Cb 0.59 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.84 3dkb n LYS 4082CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3dkb s LEU 4083N -4.44 2.13 -0.47 3.14 2.96 -0.45 -4.83 118.68 116.72 3dkb s LEU 4083Ca 0.00 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3dkb s LEU 4083Cb 0.13 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.45 3dkb s LEU 4083CO 0.82 -0.02 0.00 0.59 -1.32 0.00 0.00 176.35 176.43 3dkb n ASN 4084N 2.18 -2.27 0.04 3.68 3.02 -1.26 -4.42 115.26 116.24 3dkb n ASN 4084Ca -0.17 0.36 -0.14 0.00 -0.03 0.00 0.00 54.58 54.59 3dkb n ASN 4084Cb 0.56 -2.02 -0.04 0.00 -0.61 0.00 0.00 39.78 37.67 3dkb n ASN 4084CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3dkb h TRP 4085N 0.00 0.74 -2.89 3.10 5.08 -1.88 -3.44 115.95 116.67 3dkb h TRP 4085Ca -0.13 -0.37 -0.55 0.00 1.08 0.00 0.00 58.89 58.92 3dkb h TRP 4085Cb 1.08 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 27.13 3dkb h TRP 4085CO 0.79 1.18 0.86 0.00 -1.28 0.00 0.00 178.44 179.99 3dkb n ARG 4087N 5.62 0.10 0.00 0.00 0.63 -1.26 -3.87 116.66 117.88 3dkb n ARG 4087Ca 0.13 -0.04 0.12 0.00 -0.92 0.00 0.00 57.85 57.14 3dkb n ARG 4087Cb 0.44 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 31.92 3dkb n ARG 4087CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3dkb n GLU 4088N -1.41 1.30 -4.38 -0.14 0.00 -1.26 -4.96 120.64 109.79 3dkb n GLU 4088Ca 0.07 -1.04 -0.24 0.00 0.00 0.00 0.00 57.16 55.96 3dkb n GLU 4088Cb 0.33 -1.48 -0.09 0.00 0.00 0.00 0.00 31.44 30.20 3dkb n GLU 4088CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3dkb s VAL 4089N -2.41 2.95 0.75 3.84 -7.23 -1.25 -2.93 120.40 114.11 3dkb s VAL 4089Ca 0.21 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.11 3dkb s VAL 4089Cb 0.19 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.62 3dkb s VAL 4089CO 0.53 -0.36 1.18 -0.13 -0.31 0.00 0.00 175.10 176.01 3dkb s ARG 4090N -3.51 2.09 0.30 4.82 1.81 -0.06 -4.81 118.95 119.59 3dkb s ARG 4090Ca 0.30 1.66 -0.20 0.00 -1.72 0.00 0.00 55.73 55.77 3dkb s ARG 4090Cb -0.06 -1.84 -0.09 0.00 -0.45 0.00 0.00 34.95 32.51 3dkb s ARG 4090CO 0.17 -1.85 0.80 0.15 -0.68 0.00 0.00 175.30 173.89 3dkb s LYS 4091N -4.07 4.25 0.05 3.54 -0.14 -1.26 -4.87 119.74 117.25 3dkb s LYS 4091Ca 0.72 0.94 0.04 0.00 -1.36 0.00 0.00 55.97 56.31 3dkb s LYS 4091Cb -0.27 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.20 3dkb s LYS 4091CO 0.47 0.25 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.77 3dkb s LEU 4092N -2.42 3.34 -0.00 3.17 1.43 -1.26 -2.03 118.68 120.90 3dkb s LEU 4092Ca 0.50 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3dkb s LEU 4092Cb -0.14 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3dkb s LEU 4092CO 0.19 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 176.11 3dkb s VAL 4093N -1.18 1.53 -0.29 -1.59 1.01 0.12 -4.91 120.40 115.09 3dkb s VAL 4093Ca 0.22 -0.89 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 3dkb s VAL 4093Cb -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3dkb s VAL 4093CO 0.14 0.38 0.47 0.00 0.00 0.00 0.00 175.10 176.08 3dkb s ALA 4094N -0.52 3.55 0.02 5.51 0.00 -1.25 -1.54 121.76 127.53 3dkb s ALA 4094Ca 0.07 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 3dkb s ALA 4094Cb -0.08 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.12 3dkb s ALA 4094CO -0.00 -0.85 0.60 -0.51 0.00 0.00 0.00 175.76 175.00 3dkb s LEU 4095N 2.25 4.45 0.37 0.00 1.43 -1.04 -0.90 118.68 125.23 3dkb s LEU 4095Ca 0.18 1.21 -0.27 0.00 -1.03 0.00 0.00 54.13 54.23 3dkb s LEU 4095Cb -0.16 -2.94 -0.12 0.00 0.03 0.00 0.00 46.19 43.00 3dkb s LEU 4095CO 0.10 0.14 1.22 0.29 0.23 0.00 0.00 176.35 178.34 3dkb n LYS 4096N 2.48 1.91 -3.79 1.70 5.02 -0.56 -4.11 118.16 120.79 3dkb n LYS 4096Ca -0.07 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.76 3dkb n LYS 4096Cb 0.51 -2.26 -0.14 0.00 -0.02 0.00 0.00 35.03 33.11 3dkb n LYS 4096CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3dkb s THR 4097N -1.14 -0.03 -0.03 -0.18 -1.32 -1.26 -4.95 115.64 106.72 3dkb s THR 4097Ca 0.58 0.12 -0.35 0.00 -1.21 0.00 0.00 61.69 60.83 3dkb s THR 4097Cb -0.56 -0.15 -0.13 0.00 -1.51 0.00 0.00 72.50 70.14 3dkb s THR 4097CO 0.60 0.05 1.75 0.59 -2.21 0.00 0.00 174.62 175.40 3dkb n ASN 4098N 3.73 3.10 -3.35 8.08 5.03 -1.26 -4.88 115.26 125.71 3dkb n ASN 4098Ca -0.21 1.02 -0.39 0.00 0.87 0.00 0.00 54.58 55.87 3dkb n ASN 4098Cb 0.54 -1.35 0.01 0.00 -1.02 0.00 0.00 39.78 37.97 3dkb n ASN 4098CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dkb n GLY 4099N 3.99 5.57 1.31 7.41 0.00 -1.26 -3.89 105.19 118.32 3dkb n GLY 4099Ca 0.21 -2.33 0.06 0.00 0.00 0.00 0.00 46.02 43.96 3dkb n GLY 4099CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dkb n ASP 4100N 0.51 3.80 0.00 1.61 3.85 -1.26 -4.86 116.55 120.20 3dkb n ASP 4100Ca 0.53 -2.45 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 3dkb n ASP 4100Cb 0.28 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 3dkb n ASP 4100CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dkb n GLY 4101N 0.70 0.80 0.10 6.12 0.00 -1.26 -0.74 105.19 110.91 3dkb n GLY 4101Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3dkb n GLY 4101CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dkb n ASN 4102N 0.00 2.39 0.25 1.61 5.15 -1.26 -4.17 115.26 119.23 3dkb n ASN 4102Ca 0.00 -3.10 0.15 0.00 -0.60 0.00 0.00 54.58 51.03 3dkb n ASN 4102Cb 0.00 -0.43 0.83 0.00 -0.53 0.00 0.00 39.78 39.65 3dkb n ASN 4102CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dkb h LEU 4104N 0.00 0.96 -0.08 0.00 5.85 -1.87 0.19 115.31 120.36 3dkb h LEU 4104Ca 0.04 -0.31 -0.24 0.00 0.84 0.00 0.00 57.88 58.20 3dkb h LEU 4104Cb 0.19 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 40.96 3dkb h LEU 4104CO -0.00 1.08 -1.04 0.24 -0.34 0.00 0.00 178.44 178.38 3dkb h MET 4105N 0.86 0.40 -0.27 1.25 2.86 -1.73 -1.55 114.93 116.75 3dkb h MET 4105Ca 0.14 -0.48 -0.05 0.00 -2.06 0.00 0.00 59.70 57.24 3dkb h MET 4105Cb 0.65 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3dkb h MET 4105CO 0.05 1.16 -0.03 0.45 1.06 0.00 0.00 176.91 179.59 3dkb h HIS 4106N 0.20 0.54 0.29 -0.22 3.86 -1.18 0.17 115.15 118.81 3dkb h HIS 4106Ca -0.10 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 3dkb h HIS 4106Cb 1.70 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 30.03 3dkb h HIS 4106CO 0.07 0.67 -0.17 0.00 0.86 0.00 0.00 177.93 179.36 3dkb h ALA 4107N 0.80 -0.43 -0.03 2.45 0.00 -0.66 -0.19 119.26 121.19 3dkb h ALA 4107Ca 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dkb h ALA 4107Cb 0.48 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3dkb h ALA 4107CO 0.02 -0.75 -0.02 1.15 0.00 0.00 0.00 179.25 179.65 3dkb h THR 4108N -0.44 0.94 -0.62 0.00 2.02 -1.23 -1.99 112.91 111.59 3dkb h THR 4108Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 3dkb h THR 4108Cb 0.36 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 3dkb h THR 4108CO 0.04 0.00 0.33 -1.28 0.37 0.00 0.00 175.52 174.97 3dkb h SER 4109N -0.02 0.47 -0.73 4.18 0.87 -0.56 -2.22 113.55 115.54 3dkb h SER 4109Ca 0.02 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3dkb h SER 4109Cb 0.05 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3dkb h SER 4109CO -0.04 0.30 0.30 1.56 -0.53 0.00 0.00 176.83 178.42 3dkb h GLN 4110N 0.61 1.11 -0.32 2.24 4.20 -0.24 0.94 115.11 123.66 3dkb h GLN 4110Ca 0.28 -0.19 0.07 0.00 0.06 0.00 0.00 58.65 58.87 3dkb h GLN 4110Cb 0.20 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.73 3dkb h GLN 4110CO -0.19 0.90 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.81 3dkb h TYR 4111N 1.08 -0.34 0.00 2.96 3.20 -0.72 -1.61 116.97 121.55 3dkb h TYR 4111Ca 0.25 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.88 3dkb h TYR 4111Cb 0.21 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 3dkb h TYR 4111CO 0.02 -0.21 -1.70 0.00 -1.64 0.00 0.00 178.16 174.62 3dkb n MET 4112N -5.32 0.63 -0.02 1.82 0.00 -1.18 -2.23 117.12 110.82 3dkb n MET 4112Ca 0.01 0.27 -0.00 0.00 0.00 0.00 0.00 57.70 57.97 3dkb n MET 4112Cb 0.23 -1.78 -0.05 0.00 0.00 0.00 0.00 33.22 31.63 3dkb n MET 4112CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3dkb n TRP 4113N -3.00 0.00 0.00 3.17 8.01 0.32 -3.64 117.44 122.31 3dkb n TRP 4113Ca -0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.02 3dkb n TRP 4113Cb 1.02 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 30.09 3dkb n TRP 4113CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dkb n GLY 4114N 2.44 1.43 3.78 6.99 0.00 -0.61 -4.77 105.19 114.46 3dkb n GLY 4114Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3dkb n GLY 4114CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkb s VAL 4115N -2.32 4.23 0.59 1.61 -7.23 -1.26 -3.89 120.40 112.14 3dkb s VAL 4115Ca 0.00 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 3dkb s VAL 4115Cb 0.00 -3.27 0.08 0.00 0.56 0.00 0.00 36.38 33.75 3dkb s VAL 4115CO 0.00 -0.33 0.81 -1.10 -0.31 0.00 0.00 175.10 174.17 3dkb s GLN 4116N -3.73 2.24 -0.11 4.82 -0.21 -1.26 -1.82 119.66 119.58 3dkb s GLN 4116Ca 0.32 -1.29 -0.06 0.00 0.02 0.00 0.00 55.36 54.35 3dkb s GLN 4116Cb -0.08 -2.55 -0.21 0.00 1.00 0.00 0.00 33.01 31.17 3dkb s GLN 4116CO 0.24 -0.92 3.47 -3.47 -2.12 0.00 0.00 175.29 172.49 3dkb n ASP 4117N -2.37 5.53 0.03 5.90 4.64 -1.26 -4.57 116.55 124.46 3dkb n ASP 4117Ca 0.13 -2.60 0.03 0.00 -1.38 0.00 0.00 54.79 50.97 3dkb n ASP 4117Cb 0.61 -1.39 0.41 0.00 -1.04 0.00 0.00 41.12 39.70 3dkb n ASP 4117CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 3dkb h THR 4118N 2.02 1.13 -0.36 5.18 2.02 -1.96 -1.29 112.91 119.66 3dkb h THR 4118Ca 0.24 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dkb h THR 4118Cb 1.36 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3dkb h THR 4118CO 0.37 0.15 0.00 0.47 0.37 0.00 0.00 175.52 176.88 3dkb n ASP 4119N -4.41 2.37 -1.99 4.18 10.43 -1.26 -4.93 116.55 120.94 3dkb n ASP 4119Ca 0.02 -1.91 -0.21 0.00 2.57 0.00 0.00 54.79 55.26 3dkb n ASP 4119Cb 0.13 -0.24 -0.05 0.00 1.84 0.00 0.00 41.12 42.80 3dkb n ASP 4119CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3dkb n LEU 4120N 0.78 -1.73 0.17 0.64 4.77 -0.49 -4.89 117.00 116.25 3dkb n LEU 4120Ca 0.16 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 3dkb n LEU 4120Cb 0.40 -2.88 -0.08 0.00 -2.33 0.00 0.00 43.42 38.54 3dkb n LEU 4120CO 0.12 -0.62 0.73 0.58 -1.33 0.00 0.00 177.39 176.87 3dkb h VAL 4121N 0.00 0.74 -0.35 4.08 2.07 -1.92 0.20 116.25 121.08 3dkb h VAL 4121Ca -0.46 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3dkb h VAL 4121Cb 1.35 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3dkb h VAL 4121CO 0.60 0.03 -0.01 -0.07 0.02 0.00 0.00 177.57 178.14 3dkb h LEU 4122N -0.46 0.61 -1.62 2.57 3.38 -1.91 0.28 115.31 118.16 3dkb h LEU 4122Ca -0.04 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3dkb h LEU 4122Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3dkb h LEU 4122CO 0.06 0.78 0.27 -0.09 0.09 0.00 0.00 178.44 179.56 3dkb h ARG 4123N 0.43 0.50 0.13 1.13 9.65 -1.91 -1.65 114.38 122.66 3dkb h ARG 4123Ca 0.10 -0.03 -0.27 0.00 -1.10 0.00 0.00 59.98 58.67 3dkb h ARG 4123Cb 0.48 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3dkb h ARG 4123CO 0.02 0.33 -1.23 0.87 2.80 0.00 0.00 179.97 182.76 3dkb h LYS 4124N 0.52 0.29 -0.85 0.20 1.57 -0.26 -3.07 116.57 114.97 3dkb h LYS 4124Ca 0.16 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3dkb h LYS 4124Cb 0.00 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3dkb h LYS 4124CO -0.04 1.22 0.46 0.00 -0.57 0.00 0.00 179.45 180.53 3dkb h ALA 4125N 0.57 1.22 0.43 3.86 0.00 -0.20 0.19 119.26 125.32 3dkb h ALA 4125Ca -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3dkb h ALA 4125Cb 1.96 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3dkb h ALA 4125CO 0.20 0.63 -0.24 1.25 0.00 0.00 0.00 179.25 181.09 3dkb h LEU 4126N 1.19 -0.60 -1.15 0.00 5.85 -1.37 -0.57 115.31 118.66 3dkb h LEU 4126Ca 0.30 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3dkb h LEU 4126Cb 0.03 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3dkb h LEU 4126CO -0.05 -0.39 0.36 0.15 -0.34 0.00 0.00 178.44 178.17 3dkb h PHE 4127N -0.63 0.94 -0.46 1.25 3.57 -1.41 -1.67 116.94 118.53 3dkb h PHE 4127Ca -0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3dkb h PHE 4127Cb 0.51 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3dkb h PHE 4127CO -0.08 0.66 0.29 1.03 -2.23 0.00 0.00 178.31 177.98 3dkb h SER 4128N 0.96 0.53 -0.48 0.41 0.87 -0.64 -2.34 113.55 112.86 3dkb h SER 4128Ca 0.24 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3dkb h SER 4128Cb 0.05 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 3dkb h SER 4128CO -0.04 0.41 0.10 0.74 -0.53 0.00 0.00 176.83 177.51 3dkb h THR 4129N 0.61 1.24 0.00 2.23 2.02 -0.63 0.21 112.91 118.60 3dkb h THR 4129Ca 0.17 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3dkb h THR 4129Cb -0.04 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3dkb h THR 4129CO -0.03 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.34 3dkb n LEU 4130N -4.46 0.00 -0.01 2.58 4.77 -0.67 -2.66 117.00 116.55 3dkb n LEU 4130Ca 0.01 0.23 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3dkb n LEU 4130Cb 0.23 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3dkb n LEU 4130CO 0.40 -0.09 -0.58 1.17 -1.33 0.00 0.00 177.39 176.96 3dkb n LYS 4131N -1.23 0.06 -1.34 3.23 3.00 -0.90 -4.80 118.16 116.17 3dkb n LYS 4131Ca 0.10 0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.29 3dkb n LYS 4131Cb 0.14 -1.04 0.11 0.00 0.00 0.00 0.00 35.03 34.23 3dkb n LYS 4131CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3dkb n GLU 4132N -2.58 2.63 -4.11 1.64 4.71 0.70 -5.01 120.64 118.62 3dkb n GLU 4132Ca -0.04 -3.66 -0.10 0.00 -0.01 0.00 0.00 57.16 53.34 3dkb n GLU 4132Cb 0.55 -2.01 -0.09 0.00 -1.01 0.00 0.00 31.44 28.87 3dkb n GLU 4132CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3dkb s THR 4133N -3.98 0.09 -0.30 2.62 2.01 -1.09 -4.86 115.64 110.13 3dkb s THR 4133Ca 0.48 -1.81 -0.27 0.00 0.31 0.00 0.00 61.69 60.40 3dkb s THR 4133Cb 0.41 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.90 3dkb s THR 4133CO -0.00 -0.40 0.96 -0.62 -0.69 0.00 0.00 174.62 173.87 3dkb s ASP 4134N -3.04 6.85 -0.24 3.53 3.68 -1.20 -4.88 116.67 121.38 3dkb s ASP 4134Ca 0.24 0.95 0.13 0.00 2.13 0.00 0.00 52.55 56.00 3dkb s ASP 4134Cb 0.07 -2.49 0.53 0.00 -1.45 0.00 0.00 42.92 39.58 3dkb s ASP 4134CO 0.02 -0.74 1.47 0.35 0.13 0.00 0.00 175.17 176.40 3dkb n THR 4135N 5.65 2.44 -0.18 1.71 -2.24 -1.26 -4.67 114.28 115.74 3dkb n THR 4135Ca 0.09 -2.20 -0.07 0.00 -2.27 0.00 0.00 64.05 59.59 3dkb n THR 4135Cb 0.47 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3dkb n THR 4135CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dkb h ARG 4136N 1.48 0.70 -0.05 -0.78 3.08 -1.98 0.55 114.38 117.38 3dkb h ARG 4136Ca 0.12 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 3dkb h ARG 4136Cb 1.61 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 3dkb h ARG 4136CO 0.34 0.53 -0.63 -0.91 -1.07 0.00 0.00 179.97 178.22 3dkb h ASN 4137N 0.68 0.21 -0.08 7.04 2.35 -1.99 -1.40 115.58 122.39 3dkb h ASN 4137Ca 0.18 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3dkb h ASN 4137Cb 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3dkb h ASN 4137CO -0.03 0.79 -0.17 -0.26 -1.65 0.00 0.00 177.43 176.10 3dkb h PHE 4138N 0.13 0.33 -0.95 1.19 0.05 -1.76 -1.89 116.94 114.04 3dkb h PHE 4138Ca -0.01 -0.12 0.04 0.00 3.82 0.00 0.00 57.97 61.70 3dkb h PHE 4138Cb 1.14 -0.06 -0.06 0.00 2.00 0.00 0.00 35.95 38.97 3dkb h PHE 4138CO 0.02 0.78 0.62 -0.22 -0.18 0.00 0.00 178.31 179.32 3dkb h LYS 4139N -0.22 1.15 0.74 1.51 3.64 0.12 -0.63 116.57 122.89 3dkb h LYS 4139Ca 0.00 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3dkb h LYS 4139Cb 0.76 -0.26 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3dkb h LYS 4139CO 0.04 0.76 -0.35 0.35 -2.27 0.00 0.00 179.45 177.98 3dkb h PHE 4140N 1.19 -0.92 -0.28 1.91 3.57 -1.20 -0.99 116.94 120.22 3dkb h PHE 4140Ca 0.38 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.94 3dkb h PHE 4140Cb 0.02 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3dkb h PHE 4140CO -0.01 -0.55 0.24 0.00 -2.23 0.00 0.00 178.31 175.76 3dkb h ARG 4141N -1.09 0.00 0.16 1.11 3.08 -1.14 -0.83 114.38 115.67 3dkb h ARG 4141Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3dkb h ARG 4141Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3dkb h ARG 4141CO 0.17 0.00 -0.08 2.35 -1.07 0.00 0.00 179.97 181.34 3dkb h TRP 4142N 0.00 -0.20 -0.77 3.04 7.01 -0.82 -2.55 115.95 121.66 3dkb h TRP 4142Ca 0.13 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3dkb h TRP 4142Cb 0.61 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 3dkb h TRP 4142CO 0.00 0.23 0.44 1.96 -2.79 0.00 0.00 178.44 178.28 3dkb h GLN 4143N -0.78 1.05 0.58 2.65 4.20 -0.66 -1.55 115.11 120.60 3dkb h GLN 4143Ca -0.02 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3dkb h GLN 4143Cb 0.52 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3dkb h GLN 4143CO 0.04 0.76 -0.30 1.25 -0.67 0.00 0.00 178.83 179.90 3dkb h LEU 4144N 1.06 -0.72 -1.28 1.46 5.85 -1.19 -2.49 115.31 118.01 3dkb h LEU 4144Ca 0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3dkb h LEU 4144Cb -0.01 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3dkb h LEU 4144CO -0.05 -0.49 0.00 -0.08 -0.34 0.00 0.00 178.44 177.48 3dkb h GLU 4145N -0.80 0.00 0.10 1.25 4.81 -1.43 -1.37 114.58 117.13 3dkb h GLU 4145Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3dkb h GLU 4145Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3dkb h GLU 4145CO 0.12 0.00 -0.05 0.77 -0.73 0.00 0.00 179.01 179.12 3dkb h SER 4146N 0.00 -0.11 0.67 1.04 0.02 -1.05 -2.59 113.55 111.54 3dkb h SER 4146Ca 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3dkb h SER 4146Cb 0.16 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3dkb h SER 4146CO 0.00 0.42 0.00 -0.07 -1.14 0.00 0.00 176.83 176.04 3dkb h LEU 4147N -0.68 0.00 -1.56 5.07 3.38 -0.99 -3.48 115.31 117.05 3dkb h LEU 4147Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dkb h LEU 4147Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dkb h LEU 4147CO 0.02 0.00 -0.24 0.29 0.09 0.00 0.00 178.44 178.60 3dkb n LYS 4148N -2.34 -1.34 -2.95 1.13 4.01 -0.56 -5.08 118.16 111.03 3dkb n LYS 4148Ca 0.02 1.33 -0.03 0.00 -0.51 0.00 0.00 58.31 59.12 3dkb n LYS 4148Cb 0.22 -1.32 -0.00 0.00 -0.51 0.00 0.00 35.03 33.41 3dkb n LYS 4148CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3dkb s SER 4149N -0.14 -1.32 0.00 4.39 0.15 -1.24 -4.93 113.70 110.61 3dkb s SER 4149Ca 0.00 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.21 3dkb s SER 4149Cb 0.00 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 3dkb s SER 4149CO 0.00 -0.10 0.00 1.67 1.20 0.00 0.00 173.24 176.01 3dkb n GLN 4150N 3.49 0.00 0.00 5.44 7.27 -1.26 -4.68 117.38 127.63 3dkb n GLN 4150Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 3dkb n GLN 4150Cb 0.56 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.21 3dkb n GLN 4150CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3dkb n GLU 4151N 0.00 0.01 -2.62 3.69 2.13 -1.26 -4.89 120.64 117.71 3dkb n GLU 4151Ca 0.00 -0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3dkb n GLU 4151Cb 0.00 -0.34 0.02 0.00 0.27 0.00 0.00 31.44 31.40 3dkb n GLU 4151CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3dkb n PHE 4152N -0.00 1.70 -3.15 4.31 1.16 -1.26 -4.99 117.46 115.22 3dkb n PHE 4152Ca 0.00 -2.79 0.05 0.00 -1.87 0.00 0.00 57.45 52.84 3dkb n PHE 4152Cb 0.17 -0.30 -0.00 0.00 -1.61 0.00 0.00 39.48 37.73 3dkb n PHE 4152CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3dkb s VAL 4153N -3.75 -0.52 0.00 1.97 0.11 -1.26 -4.78 120.40 112.18 3dkb s VAL 4153Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 3dkb s VAL 4153Cb 0.43 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 3dkb s VAL 4153CO -0.02 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 172.96 3dkb n GLU 4154N 5.30 0.00 0.00 1.54 2.13 -1.26 -4.83 120.64 123.52 3dkb n GLU 4154Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 3dkb n GLU 4154Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 3dkb n GLU 4154CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3dkb n TYR 4159N 12.18 0.00 0.00 4.31 0.53 -1.26 -5.18 117.16 127.73 3dkb n TYR 4159Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3dkb n TYR 4159Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.31 3dkb n TYR 4159CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3dkb n ASP 4160N 0.00 0.00 -3.36 7.72 5.68 -1.26 -5.07 116.55 120.26 3dkb n ASP 4160Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 3dkb n ASP 4160Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3dkb n ASP 4160CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dkb s THR 4161N 0.01 -0.71 -0.49 2.12 2.01 -1.26 -5.06 115.64 112.25 3dkb s THR 4161Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 3dkb s THR 4161Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3dkb s THR 4161CO 0.00 0.00 0.62 -1.14 -0.69 0.00 0.00 174.62 173.41 3dkb n ARG 4162N 5.29 -2.16 -3.40 4.92 3.00 -1.26 -5.04 116.66 118.01 3dkb n ARG 4162Ca -0.08 1.98 -0.26 0.00 -0.00 0.00 0.00 57.85 59.49 3dkb n ARG 4162Cb 0.51 -5.59 -0.09 0.00 0.00 0.00 0.00 32.46 27.29 3dkb n ARG 4162CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3dkb n ASN 4163N -0.60 0.34 0.13 6.15 4.05 -1.26 -4.95 115.26 119.12 3dkb n ASN 4163Ca 0.09 -2.61 0.00 0.00 0.45 0.00 0.00 54.58 52.50 3dkb n ASN 4163Cb 0.48 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.88 3dkb n ASN 4163CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 3dkb n TRP 4164N 2.25 -2.29 0.00 1.20 7.02 -1.26 -4.69 117.44 119.67 3dkb n TRP 4164Ca 0.26 0.40 0.00 0.00 -1.02 0.00 0.00 57.50 57.15 3dkb n TRP 4164Cb 0.47 0.56 0.00 0.00 -2.42 0.00 0.00 31.31 29.92 3dkb n TRP 4164CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3dkb n ASN 4165N -3.41 0.00 -0.07 -0.99 3.02 -1.26 -1.83 115.26 110.71 3dkb n ASN 4165Ca 0.00 0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.68 3dkb n ASN 4165Cb 0.00 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 3dkb n ASN 4165CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3dkb n ASP 4166N -1.17 1.73 0.00 6.41 2.03 -1.26 -4.47 116.55 119.82 3dkb n ASP 4166Ca 0.00 0.29 0.02 0.00 0.52 0.00 0.00 54.79 55.62 3dkb n ASP 4166Cb 0.04 -0.70 0.09 0.00 -0.72 0.00 0.00 41.12 39.84 3dkb n ASP 4166CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3dkb n GLU 4167N -4.24 0.02 0.04 -0.67 2.13 -1.07 -0.84 120.64 116.00 3dkb n GLU 4167Ca -0.12 0.37 -0.07 0.00 0.66 0.00 0.00 57.16 58.00 3dkb n GLU 4167Cb 0.45 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.75 3dkb n GLU 4167CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 3dkb h TRP 4168N 0.00 0.52 -0.69 4.31 2.91 -1.58 -2.65 115.95 118.77 3dkb h TRP 4168Ca 0.00 -0.19 -0.00 0.00 1.13 0.00 0.00 58.89 59.83 3dkb h TRP 4168Cb 0.06 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 3dkb h TRP 4168CO 0.00 0.88 0.43 -0.44 -1.03 0.00 0.00 178.44 178.27 3dkb h ASP 4169N 0.32 0.83 -0.96 2.65 3.45 -1.22 -1.97 116.42 119.52 3dkb h ASP 4169Ca 0.00 -0.05 0.20 0.00 0.43 0.00 0.00 57.03 57.61 3dkb h ASP 4169Cb 1.07 -0.21 -0.08 0.00 -0.56 0.00 0.00 39.33 39.55 3dkb h ASP 4169CO 0.10 0.64 0.61 -1.13 -1.57 0.00 0.00 179.24 177.88 3dkb h ASN 4170N 0.94 0.58 1.17 6.45 -0.73 -1.54 0.42 115.58 122.88 3dkb h ASN 4170Ca 0.25 0.07 -0.17 0.00 1.87 0.00 0.00 56.30 58.32 3dkb h ASN 4170Cb -0.04 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 3dkb h ASN 4170CO -0.05 0.22 -0.84 -0.07 -0.37 0.00 0.00 177.43 176.32 3dkb h LEU 4171N 0.57 0.00 -0.44 0.34 3.38 -1.28 -2.88 115.31 114.99 3dkb h LEU 4171Ca 0.52 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.32 3dkb h LEU 4171Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 3dkb h LEU 4171CO -0.27 0.78 -0.76 0.40 0.09 0.00 0.00 178.44 178.69 3dkb h ILE 4172N 0.00 1.45 -0.25 1.22 2.04 -0.08 -3.07 117.51 118.82 3dkb h ILE 4172Ca -0.02 -2.33 -0.15 0.00 1.00 0.00 0.00 64.86 63.35 3dkb h ILE 4172Cb 1.62 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 3dkb h ILE 4172CO 0.10 0.68 -0.45 0.11 0.00 0.00 0.00 178.15 178.60 3dkb h LYS 4173N 0.14 0.63 0.00 2.37 6.56 -0.30 -2.78 116.57 123.19 3dkb h LYS 4173Ca -0.03 -0.35 -0.04 0.00 -1.06 0.00 0.00 60.65 59.18 3dkb h LYS 4173Cb 1.33 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.00 3dkb h LYS 4173CO 0.12 0.95 -0.19 0.52 -2.06 0.00 0.00 179.45 178.78 3dkb h MET 4174N 0.51 0.00 0.00 3.15 2.86 -1.46 -1.23 114.93 118.76 3dkb h MET 4174Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3dkb h MET 4174Cb 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3dkb h MET 4174CO 0.09 0.19 0.00 0.00 1.06 0.00 0.00 176.91 178.25 3dkb h ALA 4175N 1.81 1.00 -2.38 6.32 0.00 -1.40 -3.41 119.26 121.20 3dkb h ALA 4175Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 3dkb h ALA 4175Cb 0.40 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.31 3dkb h ALA 4175CO 0.02 0.00 0.34 -1.54 0.00 0.00 0.00 179.25 178.07 3dkb s SER 4176N -5.09 4.63 0.00 0.00 1.04 -0.46 -4.23 113.70 109.59 3dkb s SER 4176Ca 0.04 1.43 0.29 0.00 0.48 0.00 0.00 55.95 58.19 3dkb s SER 4176Cb 0.09 -2.20 1.65 0.00 0.10 0.00 0.00 66.02 65.66 3dkb s SER 4176CO 0.51 -1.90 2.07 0.35 0.98 0.00 0.00 173.24 175.25 3dkb n THR 4177N -3.40 0.01 -1.27 2.02 -2.24 -1.26 -4.61 114.28 103.52 3dkb n THR 4177Ca 0.07 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.50 3dkb n THR 4177Cb 0.55 -0.35 0.10 0.00 -2.10 0.00 0.00 70.33 68.53 3dkb n THR 4177CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dkb s ASP 4178N -1.91 4.24 -0.08 3.42 -0.00 -1.26 -4.92 116.67 116.16 3dkb s ASP 4178Ca 0.43 2.02 -0.11 0.00 -0.00 0.00 0.00 52.55 54.90 3dkb s ASP 4178Cb 0.20 -2.55 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 3dkb s ASP 4178CO 0.33 -2.22 0.25 -0.89 -0.00 0.00 0.00 175.17 172.65 3dkb s THR 4179N -2.58 5.31 0.75 -1.27 2.01 -1.26 -3.95 115.64 114.64 3dkb s THR 4179Ca 0.66 0.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.02 3dkb s THR 4179Cb -0.21 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.80 3dkb s THR 4179CO 0.52 0.57 1.08 -2.84 -0.69 0.00 0.00 174.62 173.26 3dkb s PRO 4180N -0.83 2.49 -0.09 4.92 0.02 -1.26 -4.89 135.00 135.36 3dkb s PRO 4180Ca 0.18 0.84 -0.05 0.00 0.02 0.00 0.00 61.00 61.99 3dkb s PRO 4180Cb -0.14 -1.95 -0.18 0.00 0.02 0.00 0.00 34.50 32.25 3dkb s PRO 4180CO 0.07 -1.38 3.35 -1.33 -0.33 0.00 0.00 177.00 177.38 3dkb n MET 4181N -3.31 2.01 -3.64 5.54 2.81 -1.26 -4.63 117.12 114.64 3dkb n MET 4181Ca 0.07 -1.20 -0.20 0.00 -1.81 0.00 0.00 57.70 54.56 3dkb n MET 4181Cb 0.55 -1.96 0.04 0.00 -0.71 0.00 0.00 33.22 31.14 3dkb n MET 4181CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dkb n ALA 4182N 2.10 -2.02 0.35 3.04 0.00 -1.26 -4.84 120.51 117.88 3dkb n ALA 4182Ca 0.41 -0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3dkb n ALA 4182Cb 0.82 -2.06 0.58 0.00 0.00 0.00 0.00 19.45 18.79 3dkb n ALA 4182CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dkb h ARG 4183N -1.87 0.00 0.00 0.00 2.43 -1.93 -3.33 114.38 109.68 3dkb h ARG 4183Ca -0.61 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3dkb h ARG 4183Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3dkb h ARG 4183CO 0.55 0.00 0.00 0.45 -1.51 0.00 0.00 179.97 179.46 3dkb n SER 4184N -2.59 0.00 0.00 -3.80 2.88 -1.26 -5.06 113.62 103.79 3dkb n SER 4184Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 3dkb n SER 4184Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 3dkb n SER 4184CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dkb n GLY 4185N 0.00 1.87 3.54 0.46 0.00 -1.25 -5.13 105.19 104.68 3dkb n GLY 4185Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3dkb n GLY 4185CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkb s LEU 4186N 0.00 2.84 0.48 0.99 2.01 -1.26 -5.04 118.68 118.70 3dkb s LEU 4186Ca 0.00 -0.79 0.26 0.00 0.01 0.00 0.00 54.13 53.62 3dkb s LEU 4186Cb 0.00 -1.43 1.16 0.00 0.01 0.00 0.00 46.19 45.94 3dkb s LEU 4186CO 0.00 0.05 1.93 -0.61 1.01 0.00 0.00 176.35 178.73 3dkb h GLN 4187N 2.42 0.00 -4.97 1.70 4.15 -1.86 -3.40 115.11 113.14 3dkb h GLN 4187Ca -0.44 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.64 3dkb h GLN 4187Cb 1.24 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.78 3dkb h GLN 4187CO 0.57 0.17 -0.66 0.71 -1.93 0.00 0.00 178.83 177.69 3dkb s TYR 4188N -3.84 1.40 0.41 3.99 1.51 0.08 -4.40 117.35 116.51 3dkb s TYR 4188Ca -0.01 -0.95 -0.24 0.00 -1.01 0.00 0.00 57.07 54.86 3dkb s TYR 4188Cb 0.11 -0.80 -0.09 0.00 -0.11 0.00 0.00 41.96 41.08 3dkb s TYR 4188CO 0.61 -0.10 1.08 -0.80 -1.11 0.00 0.00 175.55 175.22 3dkb s ASN 4189N -3.24 6.62 0.39 2.29 0.02 -1.25 -4.38 114.94 115.38 3dkb s ASN 4189Ca 0.26 2.10 -0.23 0.00 -1.02 0.00 0.00 52.86 53.98 3dkb s ASN 4189Cb 0.06 -2.59 -0.11 0.00 0.02 0.00 0.00 41.25 38.63 3dkb s ASN 4189CO 0.06 -0.59 0.95 -0.55 0.02 0.00 0.00 177.10 176.99 3dkb s SER 4190N -1.51 7.06 0.16 -1.22 0.15 -1.26 -4.59 113.70 112.48 3dkb s SER 4190Ca 0.59 1.75 0.06 0.00 0.70 0.00 0.00 55.95 59.05 3dkb s SER 4190Cb -0.24 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 3dkb s SER 4190CO 0.29 -0.27 0.08 -0.76 1.20 0.00 0.00 173.24 173.78 3dkb s LEU 4191N -2.79 3.61 0.00 3.45 1.43 -1.26 -4.88 118.68 118.24 3dkb s LEU 4191Ca 0.58 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3dkb s LEU 4191Cb -0.13 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.85 3dkb s LEU 4191CO 0.17 0.09 0.00 -1.84 0.23 0.00 0.00 176.35 175.00 3dkb n GLU 4192N -0.17 1.27 -0.23 1.70 0.28 -1.26 -5.01 120.64 117.22 3dkb n GLU 4192Ca -0.09 -2.16 -0.06 0.00 -0.16 0.00 0.00 57.16 54.69 3dkb n GLU 4192Cb 0.55 0.59 -0.05 0.00 1.43 0.00 0.00 31.44 33.95 3dkb n GLU 4192CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dkb n GLU 4193N -0.74 -0.24 -0.35 3.44 4.71 -1.26 -0.72 120.64 125.49 3dkb n GLU 4193Ca -0.12 1.05 0.17 0.00 -0.01 0.00 0.00 57.16 58.24 3dkb n GLU 4193Cb 0.38 -1.54 0.38 0.00 -1.01 0.00 0.00 31.44 29.64 3dkb n GLU 4193CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 3dkb h ILE 4194N 0.00 0.56 -0.59 -3.67 6.09 -1.99 0.29 117.51 118.20 3dkb h ILE 4194Ca 0.09 -0.21 -0.02 0.00 -1.37 0.00 0.00 64.86 63.35 3dkb h ILE 4194Cb 0.22 -0.09 -0.03 0.00 0.47 0.00 0.00 36.82 37.39 3dkb h ILE 4194CO -0.50 0.11 0.28 0.45 -3.07 0.00 0.00 178.15 175.41 3dkb h HIS 4195N 0.60 0.86 -0.94 2.19 3.86 -1.32 -0.90 115.15 119.51 3dkb h HIS 4195Ca 0.63 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.79 3dkb h HIS 4195Cb 1.19 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 29.35 3dkb h HIS 4195CO -0.01 0.67 0.57 0.82 0.86 0.00 0.00 177.93 180.84 3dkb h ILE 4196N 0.81 1.25 -0.29 2.45 2.04 -0.12 -0.61 117.51 123.06 3dkb h ILE 4196Ca 0.20 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 3dkb h ILE 4196Cb 0.13 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3dkb h ILE 4196CO -0.02 0.26 0.12 0.15 0.00 0.00 0.00 178.15 178.66 3dkb h PHE 4197N 1.29 0.43 -0.84 1.37 -0.00 -0.82 -1.63 116.94 116.74 3dkb h PHE 4197Ca 0.34 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.24 3dkb h PHE 4197Cb -0.07 -0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 35.71 3dkb h PHE 4197CO 0.00 0.42 0.39 0.28 -0.00 0.00 0.00 178.31 179.40 3dkb h VAL 4198N 0.32 1.26 -0.50 1.41 2.07 -0.89 -2.81 116.25 117.12 3dkb h VAL 4198Ca 0.10 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dkb h VAL 4198Cb 0.16 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3dkb h VAL 4198CO -0.01 0.32 0.30 0.25 0.02 0.00 0.00 177.57 178.45 3dkb h LEU 4199N 1.21 0.48 -1.77 2.57 6.46 -0.72 -1.03 115.31 122.51 3dkb h LEU 4199Ca 0.29 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.03 3dkb h LEU 4199Cb 0.14 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3dkb h LEU 4199CO -0.03 0.34 -0.11 0.00 -0.62 0.00 0.00 178.44 178.01 3dkb h ASN 4201N 0.00 0.89 -0.42 0.00 2.35 -1.14 0.42 115.58 117.68 3dkb h ASN 4201Ca -0.00 -0.84 -0.02 0.00 -0.55 0.00 0.00 56.30 54.89 3dkb h ASN 4201Cb 0.42 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3dkb h ASN 4201CO 0.01 1.64 0.20 0.40 -1.65 0.00 0.00 177.43 178.04 3dkb h ILE 4202N 0.26 1.17 0.00 2.81 2.04 -0.58 -1.80 117.51 121.40 3dkb h ILE 4202Ca -0.20 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3dkb h ILE 4202Cb 1.97 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3dkb h ILE 4202CO 0.25 0.20 -0.70 -0.07 0.00 0.00 0.00 178.15 177.83 3dkb h LEU 4203N 0.65 0.00 -1.51 1.44 3.38 -1.21 -2.68 115.31 115.38 3dkb h LEU 4203Ca 0.16 -0.05 -0.42 0.00 0.09 0.00 0.00 57.88 57.66 3dkb h LEU 4203Cb 0.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.91 3dkb h LEU 4203CO -0.02 0.02 -0.80 0.54 0.09 0.00 0.00 178.44 178.28 3dkb n ARG 4204N -2.63 -5.45 -3.70 1.13 1.74 0.13 -4.79 116.66 103.09 3dkb n ARG 4204Ca 0.02 0.65 -0.11 0.00 -0.77 0.00 0.00 57.85 57.63 3dkb n ARG 4204Cb 0.52 -5.37 -0.10 0.00 -1.02 0.00 0.00 32.46 26.49 3dkb n ARG 4204CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3dkb s ARG 4205N -6.10 0.48 0.34 5.56 3.52 -0.19 -1.28 118.95 121.28 3dkb s ARG 4205Ca 0.21 0.75 -0.28 0.00 -0.13 0.00 0.00 55.73 56.28 3dkb s ARG 4205Cb -0.10 0.12 -0.10 0.00 -1.56 0.00 0.00 34.95 33.31 3dkb s ARG 4205CO 0.80 -0.11 1.21 -1.25 -0.81 0.00 0.00 175.30 175.14 3dkb s PRO 4206N 0.89 4.35 -0.14 5.12 0.04 -1.26 -4.53 135.00 139.47 3dkb s PRO 4206Ca -0.05 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 3dkb s PRO 4206Cb -0.06 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3dkb s PRO 4206CO -0.07 -0.11 -0.13 0.42 0.04 0.00 0.00 177.00 177.15 3dkb s ILE 4207N -1.22 3.02 -0.19 0.56 1.01 -0.38 0.49 121.20 124.49 3dkb s ILE 4207Ca 0.50 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3dkb s ILE 4207Cb -0.35 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 39.86 3dkb s ILE 4207CO 0.46 0.51 -0.19 -0.63 0.00 0.00 0.00 174.94 175.09 3dkb s ILE 4208N 0.51 2.10 -0.29 2.92 1.01 0.92 -0.17 121.20 128.20 3dkb s ILE 4208Ca -0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 3dkb s ILE 4208Cb -0.16 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3dkb s ILE 4208CO 0.04 0.48 0.18 -0.69 0.00 0.00 0.00 174.94 174.95 3dkb s VAL 4209N 1.27 5.15 -0.45 2.92 1.01 -0.50 -0.77 120.40 129.03 3dkb s VAL 4209Ca 0.03 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 3dkb s VAL 4209Cb -0.14 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3dkb s VAL 4209CO -0.12 0.20 0.49 -0.63 0.00 0.00 0.00 175.10 175.04 3dkb s ILE 4210N 1.73 5.05 0.29 2.22 1.01 0.74 -1.72 121.20 130.52 3dkb s ILE 4210Ca 0.07 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.32 3dkb s ILE 4210Cb -0.16 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3dkb s ILE 4210CO 0.10 -0.55 0.12 -0.94 0.00 0.00 0.00 174.94 173.67 3dkb s SER 4211N 2.16 4.91 -0.05 3.58 1.04 -1.26 -0.64 113.70 123.44 3dkb s SER 4211Ca 0.12 -0.57 -0.27 0.00 0.48 0.00 0.00 55.95 55.71 3dkb s SER 4211Cb -0.19 -0.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 3dkb s SER 4211CO 0.12 -0.14 0.88 1.51 0.98 0.00 0.00 173.24 176.60 3dkb s ASP 4212N -3.80 7.19 -0.16 7.02 -4.77 -0.46 -4.92 116.67 116.76 3dkb s ASP 4212Ca 0.35 1.44 0.17 0.00 -3.30 0.00 0.00 52.55 51.21 3dkb s ASP 4212Cb -0.06 -2.51 -0.25 0.00 -1.09 0.00 0.00 42.92 39.02 3dkb s ASP 4212CO 0.23 -0.25 0.21 2.29 0.70 0.00 0.00 175.17 178.35 3dkb n LYS 4213N 4.15 0.68 -1.55 2.11 -0.00 -1.26 -4.85 118.16 117.44 3dkb n LYS 4213Ca 0.04 0.06 -0.18 0.00 -0.00 0.00 0.00 58.31 58.23 3dkb n LYS 4213Cb 0.51 -1.58 -0.10 0.00 -0.00 0.00 0.00 35.03 33.85 3dkb n LYS 4213CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3dkb n MET 4214N -2.81 0.49 -2.70 -1.58 2.81 -1.26 -4.62 117.12 107.44 3dkb n MET 4214Ca -0.29 -0.58 -0.06 0.00 -1.81 0.00 0.00 57.70 54.96 3dkb n MET 4214Cb 1.13 -3.10 0.08 0.00 -0.71 0.00 0.00 33.22 30.62 3dkb n MET 4214CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dkb n LEU 4215N 15.71 -0.08 0.25 4.03 4.77 -1.26 -4.91 117.00 135.51 3dkb n LEU 4215Ca 0.50 -3.47 0.17 0.00 -0.03 0.00 0.00 56.01 53.19 3dkb n LEU 4215Cb 0.38 0.25 0.78 0.00 -2.33 0.00 0.00 43.42 42.50 3dkb n LEU 4215CO 0.68 1.63 1.00 0.03 -1.33 0.00 0.00 177.39 179.39 3dkb h ARG 4216N 2.35 0.00 -0.48 3.23 3.08 -2.03 -1.72 114.38 118.81 3dkb h ARG 4216Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3dkb h ARG 4216Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3dkb h ARG 4216CO 0.17 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.52 3dkb n SER 4217N -2.83 4.98 -4.75 7.04 2.88 -1.26 -5.01 113.62 114.68 3dkb n SER 4217Ca -0.00 -2.88 -0.34 0.00 -1.33 0.00 0.00 58.87 54.31 3dkb n SER 4217Cb 0.20 -0.62 0.06 0.00 -0.75 0.00 0.00 64.21 63.10 3dkb n SER 4217CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3dkb s LEU 4218N -2.64 3.41 -0.35 2.46 0.20 -0.65 -4.99 118.68 116.12 3dkb s LEU 4218Ca 0.50 2.22 0.14 0.00 0.69 0.00 0.00 54.13 57.68 3dkb s LEU 4218Cb 0.38 -4.58 0.40 0.00 -0.43 0.00 0.00 46.19 41.96 3dkb s LEU 4218CO 0.15 -1.89 0.86 -0.62 -0.29 0.00 0.00 176.35 174.55 3dkb n GLU 4219N -2.38 1.05 -1.20 1.98 1.02 -1.26 -4.94 120.64 114.91 3dkb n GLU 4219Ca 0.12 -3.24 -0.28 0.00 -0.02 0.00 0.00 57.16 53.74 3dkb n GLU 4219Cb 0.51 -1.43 0.06 0.00 -0.02 0.00 0.00 31.44 30.55 3dkb n GLU 4219CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3dkb n SER 4220N 0.10 7.20 0.00 1.62 3.41 -1.26 -5.17 113.62 119.53 3dkb n SER 4220Ca 0.16 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 3dkb n SER 4220Cb 0.74 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3dkb n SER 4220CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dkb n GLY 4221N -0.37 2.80 0.00 5.00 0.00 -1.26 -5.14 105.19 106.23 3dkb n GLY 4221Ca 0.50 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3dkb n GLY 4221CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 4226N 0.00 0.00 -2.13 1.61 -0.02 -1.26 -5.24 135.00 127.96 3dkb n PRO 4226Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3dkb n PRO 4226Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3dkb n PRO 4226CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dkb n LEU 4227N 0.00 -4.58 -4.34 2.45 7.94 -1.26 -4.92 117.00 112.29 3dkb n LEU 4227Ca 0.00 0.18 -0.43 0.00 -1.11 0.00 0.00 56.01 54.65 3dkb n LEU 4227Cb 0.01 -2.08 0.00 0.00 0.53 0.00 0.00 43.42 41.88 3dkb n LEU 4227CO 0.00 -0.94 2.02 0.29 -1.11 0.00 0.00 177.39 177.65 3dkb n LYS 4228N -0.62 3.19 0.08 1.96 5.02 -1.26 -4.77 118.16 121.76 3dkb n LYS 4228Ca 0.04 -3.26 -0.11 0.00 -2.02 0.00 0.00 58.31 52.97 3dkb n LYS 4228Cb 0.27 -3.34 -0.07 0.00 -0.02 0.00 0.00 35.03 31.88 3dkb n LYS 4228CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3dkb h VAL 4229N 4.96 1.54 -2.97 -0.18 2.07 -1.98 -3.47 116.25 116.23 3dkb h VAL 4229Ca 0.45 -2.92 -0.59 0.00 0.82 0.00 0.00 66.70 64.47 3dkb h VAL 4229Cb 0.81 2.69 0.15 0.00 -1.52 0.00 0.00 31.29 33.41 3dkb h VAL 4229CO 1.52 0.85 -0.10 0.61 0.02 0.00 0.00 177.57 180.47 3dkb n GLY 4230N 1.17 -0.81 0.00 2.17 0.00 -1.26 -4.76 105.19 101.70 3dkb n GLY 4230Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3dkb n GLY 4230CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkb n GLY 4231N 1.48 0.98 3.32 -0.02 0.00 -0.70 -4.76 105.19 105.50 3dkb n GLY 4231Ca 0.11 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 3dkb n GLY 4231CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkb s ILE 4232N -1.94 3.26 -0.36 -0.61 1.01 0.21 -1.41 121.20 121.35 3dkb s ILE 4232Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 3dkb s ILE 4232Cb 0.00 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 40.07 3dkb s ILE 4232CO 0.00 0.45 0.15 -0.31 0.00 0.00 0.00 174.94 175.23 3dkb s TYR 4233N 1.18 3.32 -0.05 3.97 1.51 0.76 -1.60 117.35 126.44 3dkb s TYR 4233Ca 0.02 -1.61 -0.05 0.00 -1.01 0.00 0.00 57.07 54.42 3dkb s TYR 4233Cb -0.14 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 3dkb s TYR 4233CO -0.02 -0.80 0.18 -0.51 -1.11 0.00 0.00 175.55 173.29 3dkb s LEU 4234N 1.36 4.38 -0.87 -1.29 1.43 -1.26 -1.25 118.68 121.18 3dkb s LEU 4234Ca 0.00 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.45 3dkb s LEU 4234Cb -0.21 -2.44 -0.12 0.00 0.03 0.00 0.00 46.19 43.45 3dkb s LEU 4234CO 0.01 0.31 2.75 -0.81 0.23 0.00 0.00 176.35 178.85 3dkb n PRO 4235N 1.32 2.54 0.27 1.29 -0.04 -1.26 -4.73 135.00 134.38 3dkb n PRO 4235Ca -0.14 -1.51 0.14 0.00 -0.04 0.00 0.00 63.50 61.95 3dkb n PRO 4235Cb 0.53 -2.39 0.76 0.00 -0.04 0.00 0.00 33.50 32.36 3dkb n PRO 4235CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dkb h LEU 4236N 6.75 0.00 0.00 1.53 -0.00 -1.94 -0.99 115.31 120.66 3dkb h LEU 4236Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.40 3dkb h LEU 4236Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 3dkb h LEU 4236CO 1.17 0.00 0.00 1.41 -0.00 0.00 0.00 178.44 181.02 3dkb n HIS 4237N -2.63 0.00 -4.18 1.13 8.25 -1.26 -4.74 115.22 111.78 3dkb n HIS 4237Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3dkb n HIS 4237Cb 0.25 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.26 3dkb n HIS 4237CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dkb s TRP 4238N -2.00 0.95 0.18 4.41 0.52 -0.38 -5.07 118.94 117.55 3dkb s TRP 4238Ca 0.25 -0.90 -0.16 0.00 0.02 0.00 0.00 56.10 55.31 3dkb s TRP 4238Cb 0.12 -0.54 -0.07 0.00 -1.15 0.00 0.00 33.47 31.82 3dkb s TRP 4238CO 0.20 -0.12 0.61 -1.25 0.02 0.00 0.00 176.95 176.40 3dkb s PRO 4239N -3.83 4.07 0.48 4.98 0.04 -1.26 -4.92 135.00 134.55 3dkb s PRO 4239Ca 0.13 0.62 0.17 0.00 0.04 0.00 0.00 61.00 61.95 3dkb s PRO 4239Cb 0.05 -2.89 0.91 0.00 0.04 0.00 0.00 34.50 32.61 3dkb s PRO 4239CO -0.04 0.44 1.44 0.00 0.04 0.00 0.00 177.00 178.88 3dkb h ALA 4240N 3.44 1.35 -0.01 8.56 0.00 -1.90 0.18 119.26 130.89 3dkb h ALA 4240Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 3dkb h ALA 4240Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dkb h ALA 4240CO 0.66 -0.35 -0.89 1.96 0.00 0.00 0.00 179.25 180.62 3dkb h GLN 4241N 0.00 0.34 -0.37 0.00 4.20 -1.91 -3.17 115.11 114.20 3dkb h GLN 4241Ca 0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3dkb h GLN 4241Cb 0.84 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3dkb h GLN 4241CO 0.00 1.04 0.00 0.39 -0.67 0.00 0.00 178.83 179.59 3dkb n GLU 4242N -3.73 2.05 -4.39 1.46 1.02 0.62 -4.94 120.64 112.75 3dkb n GLU 4242Ca -0.05 -1.61 -0.24 0.00 -0.02 0.00 0.00 57.16 55.23 3dkb n GLU 4242Cb 0.81 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.74 3dkb n GLU 4242CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkb s TYR 4244N -2.44 3.51 -1.98 0.00 5.04 -0.40 -4.95 117.35 116.12 3dkb s TYR 4244Ca 0.31 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.48 3dkb s TYR 4244Cb -0.05 -3.11 0.14 0.00 0.35 0.00 0.00 41.96 39.30 3dkb s TYR 4244CO 0.18 -0.19 1.11 0.54 -1.34 0.00 0.00 175.55 175.85 3dkb n ARG 4245N 4.88 1.38 -4.52 4.97 5.12 -1.26 -4.22 116.66 123.01 3dkb n ARG 4245Ca 0.07 -0.57 -0.34 0.00 -1.93 0.00 0.00 57.85 55.08 3dkb n ARG 4245Cb 0.49 -1.13 -0.12 0.00 -1.16 0.00 0.00 32.46 30.54 3dkb n ARG 4245CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3dkb s TYR 4246N -1.78 2.97 0.74 -1.55 1.51 -1.26 -3.04 117.35 114.95 3dkb s TYR 4246Ca 0.11 -0.25 -0.10 0.00 -1.01 0.00 0.00 57.07 55.81 3dkb s TYR 4246Cb 0.06 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 3dkb s TYR 4246CO 0.07 0.05 1.10 -1.25 -1.11 0.00 0.00 175.55 174.40 3dkb s PRO 4247N 0.03 2.32 -0.22 -1.71 0.04 -1.26 -4.33 135.00 129.87 3dkb s PRO 4247Ca -0.01 0.10 -0.05 0.00 0.04 0.00 0.00 61.00 61.09 3dkb s PRO 4247Cb -0.14 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3dkb s PRO 4247CO 0.03 -1.30 -0.02 0.42 0.04 0.00 0.00 177.00 176.17 3dkb s ILE 4248N -3.40 3.66 -0.23 0.56 1.01 0.18 -4.77 121.20 118.22 3dkb s ILE 4248Ca 0.60 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 3dkb s ILE 4248Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3dkb s ILE 4248CO 0.48 0.41 0.10 -0.69 0.00 0.00 0.00 174.94 175.25 3dkb s VAL 4249N 1.35 4.82 0.22 2.92 1.01 -1.26 -0.05 120.40 129.41 3dkb s VAL 4249Ca 0.04 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3dkb s VAL 4249Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3dkb s VAL 4249CO -0.01 0.37 -0.15 -0.76 0.00 0.00 0.00 175.10 174.55 3dkb s LEU 4250N 1.07 2.74 0.13 3.92 1.43 0.05 -1.03 118.68 126.99 3dkb s LEU 4250Ca 0.05 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.45 3dkb s LEU 4250Cb -0.14 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3dkb s LEU 4250CO 0.04 0.08 -0.14 -0.83 0.23 0.00 0.00 176.35 175.72 3dkb s GLY 4251N -3.04 1.73 -0.10 -3.19 0.00 0.81 -0.19 107.32 103.34 3dkb s GLY 4251Ca 0.26 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 3dkb s GLY 4251CO 0.14 -1.34 0.23 -0.47 0.00 0.00 0.00 173.10 171.66 3dkb s TYR 4252N -1.27 -0.30 0.00 1.90 5.04 0.18 -1.94 117.35 120.97 3dkb s TYR 4252Ca 0.20 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 3dkb s TYR 4252Cb -0.10 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.23 3dkb s TYR 4252CO 0.12 -0.22 0.00 -0.40 -1.34 0.00 0.00 175.55 173.71 3dkb n ASP 4253N 4.24 0.00 0.21 4.32 5.75 -1.12 -1.36 116.55 128.59 3dkb n ASP 4253Ca -0.25 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.42 3dkb n ASP 4253Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 3dkb n ASP 4253CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dkb h SER 4254N 0.00 -0.76 -0.16 -1.12 4.64 -1.99 -3.42 113.55 110.75 3dkb h SER 4254Ca 0.00 0.05 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 3dkb h SER 4254Cb 0.00 0.24 -0.19 0.00 -0.31 0.00 0.00 62.40 62.14 3dkb h SER 4254CO 0.00 -0.41 -0.48 1.41 -0.87 0.00 0.00 176.83 176.48 3dkb n HIS 4255N -4.11 -2.03 -3.80 4.77 8.25 -1.26 -5.12 115.22 111.91 3dkb n HIS 4255Ca -0.08 -2.09 -0.13 0.00 -0.26 0.00 0.00 57.72 55.17 3dkb n HIS 4255Cb 0.28 1.33 -0.13 0.00 1.12 0.00 0.00 29.99 32.59 3dkb n HIS 4255CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dkb s HIS 4256N -0.25 -0.18 -0.02 4.41 5.04 -1.26 -5.07 115.29 117.96 3dkb s HIS 4256Ca 0.23 0.45 -0.03 0.00 -1.54 0.00 0.00 55.06 54.17 3dkb s HIS 4256Cb 0.39 0.03 -0.04 0.00 0.04 0.00 0.00 32.58 33.01 3dkb s HIS 4256CO -0.07 -0.11 0.16 -0.06 -2.34 0.00 0.00 174.74 172.33 3dkb s PHE 4257N 0.36 3.52 -0.03 3.88 0.40 -1.26 -2.78 117.98 122.06 3dkb s PHE 4257Ca -0.02 0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 56.53 3dkb s PHE 4257Cb -0.04 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.69 3dkb s PHE 4257CO -0.01 0.65 0.30 0.54 0.70 0.00 0.00 175.22 177.39 3dkb s VAL 4258N -1.27 0.05 0.27 -0.44 0.11 -0.82 -4.72 120.40 113.58 3dkb s VAL 4258Ca 0.25 -0.40 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 3dkb s VAL 4258Cb -0.12 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.07 3dkb s VAL 4258CO 0.16 -0.22 0.74 -2.16 -3.33 0.00 0.00 175.10 170.29 3dkb s PRO 4259N -1.03 4.16 -0.86 1.54 0.04 -1.26 -0.13 135.00 137.46 3dkb s PRO 4259Ca -0.11 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 61.73 3dkb s PRO 4259Cb -0.05 -2.69 0.21 0.00 0.04 0.00 0.00 34.50 32.01 3dkb s PRO 4259CO 0.03 0.29 0.72 -0.51 0.04 0.00 0.00 177.00 177.58 3dkb s LEU 4260N -2.39 5.40 0.38 -3.56 1.43 -0.19 -2.51 118.68 117.24 3dkb s LEU 4260Ca 0.48 -3.75 -0.22 0.00 -1.03 0.00 0.00 54.13 49.60 3dkb s LEU 4260Cb -0.14 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3dkb s LEU 4260CO 0.19 -0.16 0.93 0.68 0.23 0.00 0.00 176.35 178.22 3dkb s VAL 4261N -1.38 4.35 0.74 -1.59 -7.23 -0.59 -4.61 120.40 110.09 3dkb s VAL 4261Ca 0.27 1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 61.90 3dkb s VAL 4261Cb -0.07 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.16 3dkb s VAL 4261CO -0.13 -0.15 1.07 -0.89 -0.31 0.00 0.00 175.10 174.69 3dkb s THR 4262N -1.97 3.68 0.29 5.32 2.01 -1.26 0.14 115.64 123.85 3dkb s THR 4262Ca 0.57 0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.98 3dkb s THR 4262Cb -0.12 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 3dkb s THR 4262CO 0.17 -0.71 0.69 -0.76 -0.69 0.00 0.00 174.62 173.31 3dkb s LEU 4263N -5.66 4.11 0.01 4.42 1.43 -0.86 -2.08 118.68 120.04 3dkb s LEU 4263Ca 0.59 1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 54.68 3dkb s LEU 4263Cb -0.15 -3.94 -0.19 0.00 0.03 0.00 0.00 46.19 41.94 3dkb s LEU 4263CO 0.55 -0.16 1.20 0.11 0.23 0.00 0.00 176.35 178.28 3dkb h LYS 4264N 2.41 0.37 0.00 1.70 1.57 -1.07 -3.46 116.57 118.10 3dkb h LYS 4264Ca -0.48 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 3dkb h LYS 4264Cb 1.17 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3dkb h LYS 4264CO 0.66 0.94 0.00 -0.25 -0.57 0.00 0.00 179.45 180.23 3dkb n ASP 4265N -4.39 0.00 0.00 0.86 9.92 -1.26 -5.04 116.55 116.64 3dkb n ASP 4265Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3dkb n ASP 4265Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 3dkb n ASP 4265CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3dkb n SER 4266N 0.00 0.00 -1.39 -2.24 3.41 -1.26 -4.88 113.62 107.26 3dkb n SER 4266Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 3dkb n SER 4266Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3dkb n SER 4266CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dkb n GLY 4267N 0.00 -2.99 0.44 5.00 0.00 -1.26 -4.71 105.19 101.67 3dkb n GLY 4267Ca 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.23 3dkb n GLY 4267CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 4268N -4.25 1.60 -1.33 1.61 -0.02 -1.26 -4.96 135.00 126.39 3dkb n PRO 4268Ca -0.08 -0.88 -0.34 0.00 -2.02 0.00 0.00 63.50 60.18 3dkb n PRO 4268Cb 0.64 -1.47 0.10 0.00 -0.02 0.00 0.00 33.50 32.76 3dkb n PRO 4268CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3dkb s GLU 4269N -1.97 1.97 0.27 -0.52 8.01 -1.26 -5.01 118.70 120.18 3dkb s GLU 4269Ca 0.38 1.80 -0.05 0.00 0.01 0.00 0.00 54.97 57.11 3dkb s GLU 4269Cb 0.21 -1.81 -0.05 0.00 -4.31 0.00 0.00 34.13 28.16 3dkb s GLU 4269CO 0.33 -1.97 0.53 0.96 0.01 0.00 0.00 175.26 175.11 3dkb s ILE 4270N -1.98 5.04 -0.65 -1.63 -4.36 -1.15 -4.62 121.20 111.85 3dkb s ILE 4270Ca 0.75 0.07 -0.26 0.00 -0.26 0.00 0.00 60.65 60.94 3dkb s ILE 4270Cb -0.30 -3.71 0.04 0.00 1.25 0.00 0.00 42.46 39.74 3dkb s ILE 4270CO 0.47 -0.26 1.14 -0.13 0.24 0.00 0.00 174.94 176.40 3dkb s ARG 4271N -3.40 3.29 0.02 0.37 0.52 -1.26 -0.89 118.95 117.61 3dkb s ARG 4271Ca 0.44 -0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 55.15 3dkb s ARG 4271Cb -0.11 -4.12 0.07 0.00 0.52 0.00 0.00 34.95 31.31 3dkb s ARG 4271CO 0.29 -1.85 0.66 0.00 0.02 0.00 0.00 175.30 174.42 3dkb s ALA 4272N 4.92 -1.72 -0.23 2.13 0.00 -1.26 -1.25 121.76 124.36 3dkb s ALA 4272Ca 0.34 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3dkb s ALA 4272Cb -0.10 0.30 0.06 0.00 0.00 0.00 0.00 23.12 23.37 3dkb s ALA 4272CO 0.18 -0.51 -0.07 0.54 0.00 0.00 0.00 175.76 175.90 3dkb s VAL 4273N -2.09 1.58 0.26 0.00 0.11 0.61 -4.58 120.40 116.29 3dkb s VAL 4273Ca -0.06 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 3dkb s VAL 4273Cb -0.00 -1.80 -0.14 0.00 -1.53 0.00 0.00 36.38 32.90 3dkb s VAL 4273CO 0.02 -0.05 1.12 -0.81 -3.33 0.00 0.00 175.10 172.05 3dkb n PRO 4274N 4.66 1.47 -0.59 1.54 -0.04 -1.26 -1.65 135.00 139.13 3dkb n PRO 4274Ca -0.13 0.52 0.03 0.00 -0.04 0.00 0.00 63.50 63.88 3dkb n PRO 4274Cb 0.44 -1.97 0.25 0.00 -0.04 0.00 0.00 33.50 32.18 3dkb n PRO 4274CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dkb n LEU 4275N 1.48 4.12 -4.20 1.53 4.77 0.18 -4.84 117.00 120.05 3dkb n LEU 4275Ca 0.11 -2.10 -0.12 0.00 -0.03 0.00 0.00 56.01 53.87 3dkb n LEU 4275Cb 0.31 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 3dkb n LEU 4275CO 0.61 0.52 -0.32 0.68 -1.33 0.00 0.00 177.39 177.54 3dkb s VAL 4276N -2.12 0.43 -0.03 4.08 -7.23 -1.26 -1.90 120.40 112.38 3dkb s VAL 4276Ca 0.35 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3dkb s VAL 4276Cb 0.27 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3dkb s VAL 4276CO 0.10 -0.51 0.02 0.20 -0.31 0.00 0.00 175.10 174.60 3dkb s ASN 4277N -3.11 5.28 -1.49 4.85 0.01 0.71 -4.88 114.94 116.31 3dkb s ASN 4277Ca 0.23 0.07 -0.13 0.00 -0.71 0.00 0.00 52.86 52.32 3dkb s ASN 4277Cb 0.07 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.29 3dkb s ASN 4277CO 0.02 0.31 2.41 -1.14 -1.51 0.00 0.00 177.10 177.19 3dkb n ARG 4278N 1.55 3.04 0.00 -0.60 0.00 -1.26 -2.25 116.66 117.14 3dkb n ARG 4278Ca -0.15 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.22 3dkb n ARG 4278Cb 0.53 -3.15 0.00 0.00 0.00 0.00 0.00 32.46 29.84 3dkb n ARG 4278CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3dkb n ASP 4279N 5.47 -1.51 -4.57 6.15 4.64 -0.62 -4.77 116.55 121.34 3dkb n ASP 4279Ca 0.59 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 53.61 3dkb n ASP 4279Cb 0.35 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.40 3dkb n ASP 4279CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dkb s ARG 4280N -2.26 3.47 0.00 -0.67 1.70 -1.26 -4.10 118.95 115.84 3dkb s ARG 4280Ca 0.00 -1.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 3dkb s ARG 4280Cb 0.00 -5.36 0.00 0.00 -0.57 0.00 0.00 34.95 29.02 3dkb s ARG 4280CO 0.00 -2.52 0.00 0.41 -1.08 0.00 0.00 175.30 172.11 3dkb n GLY 4281N 6.39 2.82 3.74 3.88 0.00 -1.26 -5.00 105.19 115.76 3dkb n GLY 4281Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 3dkb n GLY 4281CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkb s ARG 4282N -0.10 2.35 -0.47 1.61 0.52 -1.26 -4.96 118.95 116.64 3dkb s ARG 4282Ca 0.00 -1.59 -0.10 0.00 -0.52 0.00 0.00 55.73 53.51 3dkb s ARG 4282Cb 0.00 -2.15 0.11 0.00 0.52 0.00 0.00 34.95 33.43 3dkb s ARG 4282CO 0.00 0.07 0.35 -0.06 0.02 0.00 0.00 175.30 175.68 3dkb s PHE 4283N -2.45 3.39 0.00 -0.53 2.99 -1.26 -1.60 117.98 118.52 3dkb s PHE 4283Ca 0.38 -1.72 -0.20 0.00 0.00 0.00 0.00 56.93 55.39 3dkb s PHE 4283Cb -0.02 -3.44 -0.05 0.00 0.00 0.00 0.00 43.02 39.51 3dkb s PHE 4283CO 0.23 -0.97 0.59 -2.00 -0.00 0.00 0.00 175.22 173.07 3dkb s GLU 4284N 1.41 4.30 0.54 0.44 2.56 -0.96 -4.83 118.70 122.16 3dkb s GLU 4284Ca 0.05 0.73 -0.22 0.00 0.00 0.00 0.00 54.97 55.53 3dkb s GLU 4284Cb -0.26 -3.33 -0.05 0.00 2.00 0.00 0.00 34.13 32.49 3dkb s GLU 4284CO 0.00 0.40 1.31 -0.51 -0.56 0.00 0.00 175.26 175.90 3dkb s ASP 4285N -0.29 5.42 0.41 -1.70 1.01 -1.26 -0.21 116.67 120.04 3dkb s ASP 4285Ca 0.31 2.65 -0.24 0.00 0.71 0.00 0.00 52.55 55.97 3dkb s ASP 4285Cb -0.18 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.03 3dkb s ASP 4285CO 0.17 -1.46 1.08 -0.76 0.21 0.00 0.00 175.17 174.41 3dkb s LEU 4286N -3.49 4.12 0.16 1.23 1.02 -0.80 -4.77 118.68 116.17 3dkb s LEU 4286Ca 0.71 2.11 -0.30 0.00 0.02 0.00 0.00 54.13 56.66 3dkb s LEU 4286Cb -0.37 -4.18 -0.08 0.00 0.02 0.00 0.00 46.19 41.58 3dkb s LEU 4286CO 0.44 -0.57 1.25 -0.75 0.02 0.00 0.00 176.35 176.73 3dkb s LYS 4287N -2.51 4.44 -0.35 1.70 2.20 -1.26 -4.84 119.74 119.11 3dkb s LYS 4287Ca 0.59 1.93 -0.09 0.00 -0.36 0.00 0.00 55.97 58.04 3dkb s LYS 4287Cb -0.24 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3dkb s LYS 4287CO 0.30 -0.20 0.16 0.08 -0.36 0.00 0.00 175.35 175.33 3dkb s VAL 4288N 0.27 4.27 0.62 4.02 1.01 -1.26 0.66 120.40 129.98 3dkb s VAL 4288Ca 0.56 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3dkb s VAL 4288Cb -0.34 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3dkb s VAL 4288CO 0.35 -0.18 1.14 -1.00 0.00 0.00 0.00 175.10 175.41 3dkb s HIS 4289N 1.50 2.55 -1.64 5.22 0.09 -0.63 -4.17 115.29 118.22 3dkb s HIS 4289Ca 0.01 1.55 -0.12 0.00 -0.00 0.00 0.00 55.06 56.50 3dkb s HIS 4289Cb -0.19 -3.28 0.11 0.00 -0.00 0.00 0.00 32.58 29.21 3dkb s HIS 4289CO 0.05 -1.81 0.55 1.19 -0.00 0.00 0.00 174.74 174.72 3dkb n PHE 4290N -1.94 -1.56 -3.05 1.40 3.01 -1.26 -4.78 117.46 109.28 3dkb n PHE 4290Ca 0.12 0.74 -0.30 0.00 1.01 0.00 0.00 57.45 59.01 3dkb n PHE 4290Cb 0.51 -2.96 -0.04 0.00 -0.01 0.00 0.00 39.48 36.98 3dkb n PHE 4290CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dkb s LEU 4291N -7.21 3.94 0.37 4.37 1.43 -1.26 -4.94 118.68 115.39 3dkb s LEU 4291Ca 0.47 1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3dkb s LEU 4291Cb -0.26 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.02 3dkb s LEU 4291CO 0.94 -0.30 0.65 0.42 0.23 0.00 0.00 176.35 178.30 3dkb s THR 4292N -2.20 4.97 0.27 5.49 -4.23 -1.26 -4.82 115.64 113.84 3dkb s THR 4292Ca 0.50 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3dkb s THR 4292Cb -0.10 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.21 3dkb s THR 4292CO 0.28 -0.55 1.68 0.44 -0.54 0.00 0.00 174.62 175.93 3dkb h ASP 4293N 1.02 0.06 0.64 3.99 5.19 -1.99 0.21 116.42 125.56 3dkb h ASP 4293Ca -0.48 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.07 3dkb h ASP 4293Cb 1.20 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 3dkb h ASP 4293CO 0.64 -0.06 -0.43 -0.65 -3.12 0.00 0.00 179.24 175.61 3dkb h PRO 4294N 0.28 -0.99 -0.74 3.56 0.11 -1.99 -2.88 132.00 129.34 3dkb h PRO 4294Ca 0.48 0.07 0.07 0.00 0.11 0.00 0.00 66.00 66.72 3dkb h PRO 4294Cb 0.88 0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3dkb h PRO 4294CO -0.56 -0.66 0.43 0.93 -0.21 0.00 0.00 178.00 177.93 3dkb h GLU 4295N -1.03 0.75 -0.79 1.05 5.08 -1.74 -1.36 114.58 116.54 3dkb h GLU 4295Ca -0.08 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.45 3dkb h GLU 4295Cb 0.84 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3dkb h GLU 4295CO 0.06 0.49 0.56 -0.97 -1.00 0.00 0.00 179.01 178.15 3dkb h ASN 4296N 0.77 0.13 -0.19 1.42 -0.00 -0.50 0.32 115.58 117.52 3dkb h ASN 4296Ca 0.34 0.01 -0.11 0.00 -0.00 0.00 0.00 56.30 56.54 3dkb h ASN 4296Cb 0.22 -0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.53 3dkb h ASN 4296CO -0.19 0.05 -0.30 -0.33 -0.00 0.00 0.00 177.43 176.66 3dkb h GLU 4297N 0.13 0.54 -0.97 6.67 4.39 -1.03 -3.17 114.58 121.14 3dkb h GLU 4297Ca 0.39 -0.33 -0.48 0.00 0.34 0.00 0.00 59.36 59.27 3dkb h GLU 4297Cb 1.34 0.03 -0.29 0.00 -0.10 0.00 0.00 28.75 29.73 3dkb h GLU 4297CO -0.06 0.93 0.62 0.00 -1.16 0.00 0.00 179.01 179.34 3dkb n MET 4298N -4.34 2.41 -0.34 2.33 0.00 0.20 -4.68 117.12 112.70 3dkb n MET 4298Ca -0.06 -3.01 0.04 0.00 0.00 0.00 0.00 57.70 54.67 3dkb n MET 4298Cb 0.48 -2.18 0.18 0.00 0.00 0.00 0.00 33.22 31.70 3dkb n MET 4298CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 3dkb h LYS 4299N 1.19 0.98 -0.07 3.17 2.10 -0.47 -0.17 116.57 123.28 3dkb h LYS 4299Ca 0.60 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 59.21 3dkb h LYS 4299Cb 2.82 -0.22 -0.00 0.00 -0.90 0.00 0.00 32.23 33.92 3dkb h LYS 4299CO 1.07 0.65 0.06 1.49 -2.00 0.00 0.00 179.45 180.71 3dkb h GLU 4300N 1.01 0.00 0.00 0.07 4.22 -1.87 -1.82 114.58 116.19 3dkb h GLU 4300Ca 0.43 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.79 3dkb h GLU 4300Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3dkb h GLU 4300CO -0.21 0.00 -0.34 0.87 -2.18 0.00 0.00 179.01 177.15 3dkb h LYS 4301N 0.00 0.22 -0.98 1.92 6.56 -1.41 -3.10 116.57 119.78 3dkb h LYS 4301Ca 0.04 -0.24 0.07 0.00 -1.06 0.00 0.00 60.65 59.45 3dkb h LYS 4301Cb 0.16 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.82 3dkb h LYS 4301CO -0.00 0.97 0.63 -0.07 -2.06 0.00 0.00 179.45 178.93 3dkb h LEU 4302N -0.43 1.01 -0.54 2.94 3.38 -0.83 -1.54 115.31 119.30 3dkb h LEU 4302Ca -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dkb h LEU 4302Cb 1.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3dkb h LEU 4302CO 0.07 0.64 0.23 -0.07 0.09 0.00 0.00 178.44 179.40 3dkb h LEU 4303N 1.15 0.74 -1.13 1.67 3.38 -1.43 0.49 115.31 120.17 3dkb h LEU 4303Ca 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dkb h LEU 4303Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3dkb h LEU 4303CO -0.18 0.69 0.00 0.11 0.09 0.00 0.00 178.44 179.16 3dkb h LYS 4304N 0.74 0.00 0.03 1.13 1.57 -1.33 0.58 116.57 119.27 3dkb h LYS 4304Ca 0.18 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.76 3dkb h LYS 4304Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3dkb h LYS 4304CO -0.02 0.00 -1.08 1.49 -0.57 0.00 0.00 179.45 179.28 3dkb h GLU 4305N 0.00 0.06 0.00 3.15 4.81 -0.34 -3.39 114.58 118.86 3dkb h GLU 4305Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3dkb h GLU 4305Cb 0.49 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3dkb h GLU 4305CO 0.00 1.05 -0.54 0.66 -0.73 0.00 0.00 179.01 179.45 3dkb n TYR 4306N -4.33 0.42 -4.32 0.92 4.02 0.16 -4.79 117.16 109.23 3dkb n TYR 4306Ca -0.27 0.12 -0.17 0.00 -0.01 0.00 0.00 57.90 57.58 3dkb n TYR 4306Cb 0.70 -0.57 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 3dkb n TYR 4306CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dkb s LEU 4307N -3.90 2.34 -1.02 7.72 1.43 0.19 -4.32 118.68 121.12 3dkb s LEU 4307Ca 0.08 -1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 3dkb s LEU 4307Cb 0.15 -0.37 0.26 0.00 0.03 0.00 0.00 46.19 46.25 3dkb s LEU 4307CO 0.70 -0.42 1.00 -0.04 0.23 0.00 0.00 176.35 177.83 3dkb s MET 4308N -3.80 4.01 0.28 1.70 -1.94 -1.17 -4.35 119.30 114.03 3dkb s MET 4308Ca 0.25 -2.97 -0.29 0.00 -1.71 0.00 0.00 55.69 50.97 3dkb s MET 4308Cb 0.04 -4.52 -0.09 0.00 2.01 0.00 0.00 34.83 32.27 3dkb s MET 4308CO 0.07 -1.26 1.12 0.08 -0.01 0.00 0.00 175.02 175.02 3dkb s VAL 4309N -0.78 3.44 0.06 -6.03 1.01 -1.26 -1.92 120.40 114.92 3dkb s VAL 4309Ca 0.27 1.43 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 3dkb s VAL 4309Cb -0.10 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3dkb s VAL 4309CO -0.08 0.33 -0.04 0.27 0.00 0.00 0.00 175.10 175.58 3dkb s ILE 4310N -1.08 0.34 -0.15 2.22 -4.36 0.19 -4.96 121.20 113.39 3dkb s ILE 4310Ca 0.45 -1.82 -0.06 0.00 -0.26 0.00 0.00 60.65 58.97 3dkb s ILE 4310Cb -0.33 -1.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3dkb s ILE 4310CO 0.42 -0.95 0.06 -1.61 0.24 0.00 0.00 174.94 173.09 3dkb s GLU 4311N -3.83 3.67 -0.10 0.37 2.02 -1.26 -0.77 118.70 118.81 3dkb s GLU 4311Ca 0.08 -0.33 0.01 0.00 0.02 0.00 0.00 54.97 54.75 3dkb s GLU 4311Cb 0.07 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.20 3dkb s GLU 4311CO -0.08 0.45 -0.11 0.42 0.02 0.00 0.00 175.26 175.95 3dkb s ILE 4312N -0.13 1.20 -0.61 -1.63 1.01 0.57 -4.93 121.20 116.68 3dkb s ILE 4312Ca 0.07 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 3dkb s ILE 4312Cb -0.12 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 3dkb s ILE 4312CO 0.01 0.38 1.61 -2.84 0.00 0.00 0.00 174.94 174.10 3dkb s PRO 4313N 1.12 2.98 0.21 2.79 0.02 -1.26 -1.75 135.00 139.11 3dkb s PRO 4313Ca -0.05 0.43 0.01 0.00 0.02 0.00 0.00 61.00 61.41 3dkb s PRO 4313Cb -0.14 -4.26 -0.04 0.00 0.02 0.00 0.00 34.50 30.08 3dkb s PRO 4313CO -0.02 -2.34 0.38 0.54 -0.33 0.00 0.00 177.00 175.23 3dkb s VAL 4314N 7.39 5.23 0.34 3.83 0.11 0.56 -4.93 120.40 132.93 3dkb s VAL 4314Ca 0.57 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.78 3dkb s VAL 4314Cb -0.12 -3.77 -0.12 0.00 -1.53 0.00 0.00 36.38 30.85 3dkb s VAL 4314CO 0.21 -0.22 1.42 0.00 -3.33 0.00 0.00 175.10 173.18 3dkb n GLN 4315N -0.86 2.40 0.00 1.54 6.02 -1.26 -1.62 117.38 123.59 3dkb n GLN 4315Ca -0.06 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 3dkb n GLN 4315Cb 0.55 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.29 3dkb n GLN 4315CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dkb n GLY 4316N 0.97 -1.36 2.81 1.08 0.00 0.28 -4.56 105.19 104.40 3dkb n GLY 4316Ca 0.05 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 3dkb n GLY 4316CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dkb n TRP 4317N 0.00 2.68 -3.60 1.61 8.01 -1.26 -4.80 117.44 120.07 3dkb n TRP 4317Ca 0.00 -2.80 -0.25 0.00 -1.31 0.00 0.00 57.50 53.14 3dkb n TRP 4317Cb 0.00 -1.12 0.04 0.00 -2.01 0.00 0.00 31.31 28.23 3dkb n TRP 4317CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dkb n ASP 4318N 0.62 -4.40 -2.69 -0.99 8.00 -1.26 -4.96 116.55 110.87 3dkb n ASP 4318Ca 0.35 -0.90 -0.05 0.00 0.71 0.00 0.00 54.79 54.89 3dkb n ASP 4318Cb 0.31 -3.93 0.10 0.00 -0.02 0.00 0.00 41.12 37.59 3dkb n ASP 4318CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dkb n HIS 4319N -4.01 -1.37 -0.12 1.24 1.44 -1.26 -4.99 115.22 106.14 3dkb n HIS 4319Ca -0.15 -1.24 0.00 0.00 -2.01 0.00 0.00 57.72 54.32 3dkb n HIS 4319Cb 0.62 1.34 0.00 0.00 0.12 0.00 0.00 29.99 32.08 3dkb n HIS 4319CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dkb n GLY 4320N 0.56 0.00 3.89 -1.39 0.00 -1.26 -4.86 105.19 102.12 3dkb n GLY 4320Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3dkb n GLY 4320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dkb s THR 4321N -0.24 4.95 -0.02 2.61 2.01 -1.26 -4.96 115.64 118.73 3dkb s THR 4321Ca 0.00 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3dkb s THR 4321Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.84 3dkb s THR 4321CO 0.00 -0.27 0.00 0.42 -0.69 0.00 0.00 174.62 174.08 3dkb s THR 4322N -2.04 0.12 0.17 -0.82 -4.23 -1.26 1.00 115.64 108.58 3dkb s THR 4322Ca 0.46 0.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 3dkb s THR 4322Cb -0.11 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 3dkb s THR 4322CO 0.27 0.11 0.03 -2.28 -0.54 0.00 0.00 174.62 172.21 3dkb s HIS 4323N 0.78 2.91 -0.27 3.99 5.04 -0.64 -4.83 115.29 122.27 3dkb s HIS 4323Ca -0.07 -0.11 -0.10 0.00 -1.54 0.00 0.00 55.06 53.24 3dkb s HIS 4323Cb -0.11 -1.41 -0.04 0.00 0.04 0.00 0.00 32.58 31.06 3dkb s HIS 4323CO -0.02 0.52 0.16 -1.17 -2.34 0.00 0.00 174.74 171.89 3dkb s LEU 4324N -2.94 3.88 0.29 8.88 2.96 -1.26 -0.32 118.68 130.17 3dkb s LEU 4324Ca 0.28 -0.06 0.11 0.00 -0.22 0.00 0.00 54.13 54.24 3dkb s LEU 4324Cb -0.10 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3dkb s LEU 4324CO 0.20 -0.04 -0.16 0.27 -1.32 0.00 0.00 176.35 175.29 3dkb s ILE 4325N 1.70 2.31 0.01 6.68 -4.36 -0.72 -4.90 121.20 121.92 3dkb s ILE 4325Ca 0.07 -2.32 -0.20 0.00 -0.26 0.00 0.00 60.65 57.93 3dkb s ILE 4325Cb -0.16 -2.37 -0.06 0.00 1.25 0.00 0.00 42.46 41.12 3dkb s ILE 4325CO 0.09 -0.36 0.58 0.20 0.24 0.00 0.00 174.94 175.69 3dkb s ASN 4326N -3.51 6.98 -0.00 4.36 0.01 -1.26 -0.32 114.94 121.20 3dkb s ASN 4326Ca 0.30 1.17 -0.01 0.00 -0.71 0.00 0.00 52.86 53.61 3dkb s ASN 4326Cb -0.02 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.28 3dkb s ASN 4326CO 0.14 0.15 0.03 0.00 -1.51 0.00 0.00 177.10 175.91 3dkb s ALA 4327N -0.40 -0.05 -0.10 0.60 0.00 0.05 0.49 121.76 122.36 3dkb s ALA 4327Ca 0.30 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 3dkb s ALA 4327Cb -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 3dkb s ALA 4327CO 0.17 -0.06 0.44 0.00 0.00 0.00 0.00 175.76 176.31 3dkb s ALA 4328N -0.44 3.54 0.24 0.00 0.00 -0.66 -0.64 121.76 123.81 3dkb s ALA 4328Ca -0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3dkb s ALA 4328Cb -0.03 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 3dkb s ALA 4328CO -0.00 0.12 1.39 0.15 0.00 0.00 0.00 175.76 177.42 3dkb s LYS 4329N 0.22 4.31 -0.12 0.00 -0.14 -0.81 -0.28 119.74 122.92 3dkb s LYS 4329Ca 0.24 2.22 -0.10 0.00 -1.36 0.00 0.00 55.97 56.97 3dkb s LYS 4329Cb -0.15 -3.13 -0.05 0.00 -1.68 0.00 0.00 37.83 32.82 3dkb s LYS 4329CO 0.10 -0.35 0.20 -0.51 -0.76 0.00 0.00 175.35 174.04 3dkb s LEU 4330N -0.44 4.35 0.82 3.17 1.43 -0.38 -4.44 118.68 123.19 3dkb s LEU 4330Ca 0.57 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.07 3dkb s LEU 4330Cb -0.40 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 43.71 3dkb s LEU 4330CO 0.43 0.32 1.16 -0.62 0.23 0.00 0.00 176.35 177.87 3dkb s ASP 4331N -0.61 3.68 0.09 2.29 3.68 -1.26 -4.76 116.67 119.78 3dkb s ASP 4331Ca 0.15 2.20 0.04 0.00 2.13 0.00 0.00 52.55 57.07 3dkb s ASP 4331Cb -0.13 -2.57 -0.04 0.00 -1.45 0.00 0.00 42.92 38.73 3dkb s ASP 4331CO 0.04 -2.60 0.05 -1.83 0.13 0.00 0.00 175.17 170.96 3dkb s GLU 4332N -4.39 2.74 -0.26 4.34 -1.05 -1.26 -4.98 118.70 113.83 3dkb s GLU 4332Ca 0.69 -0.77 -0.42 0.00 -0.15 0.00 0.00 54.97 54.32 3dkb s GLU 4332Cb -0.24 -2.64 -0.18 0.00 -0.44 0.00 0.00 34.13 30.63 3dkb s GLU 4332CO 0.52 0.55 1.54 0.00 0.95 0.00 0.00 175.26 178.83 3dkb n ALA 4333N 0.44 -1.20 -1.39 -0.84 0.00 -1.26 -4.71 120.51 111.56 3dkb n ALA 4333Ca -0.09 0.47 0.02 0.00 0.00 0.00 0.00 53.44 53.84 3dkb n ALA 4333Cb 0.52 -2.03 0.03 0.00 0.00 0.00 0.00 19.45 17.97 3dkb n ALA 4333CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dkb n ASN 4334N 3.95 0.71 -4.68 0.00 0.23 -0.22 -4.99 115.26 110.25 3dkb n ASN 4334Ca 0.26 -2.03 -0.42 0.00 -0.53 0.00 0.00 54.58 51.86 3dkb n ASN 4334Cb 0.07 -0.19 -0.03 0.00 -2.08 0.00 0.00 39.78 37.55 3dkb n ASN 4334CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3dkb s LEU 4335N -0.73 4.25 0.59 -4.53 1.43 -1.25 -4.84 118.68 113.60 3dkb s LEU 4335Ca 0.07 1.70 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 3dkb s LEU 4335Cb 0.06 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 3dkb s LEU 4335CO 0.01 -0.58 1.34 -2.84 0.23 0.00 0.00 176.35 174.51 3dkb s PRO 4336N 2.39 2.90 0.26 1.29 0.02 -1.26 -4.61 135.00 135.98 3dkb s PRO 4336Ca 0.53 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.70 3dkb s PRO 4336Cb -0.22 -2.10 0.55 0.00 0.02 0.00 0.00 34.50 32.75 3dkb s PRO 4336CO 0.19 -1.36 1.64 -0.22 -0.33 0.00 0.00 177.00 176.92 3dkb h LYS 4337N 1.10 0.16 0.00 5.54 1.63 -1.94 0.10 116.57 123.15 3dkb h LYS 4337Ca -0.51 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 3dkb h LYS 4337Cb 1.32 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 3dkb h LYS 4337CO 0.56 0.10 0.07 -0.85 -3.45 0.00 0.00 179.45 175.89 3dkb n GLU 4338N -5.28 0.12 -0.32 1.90 0.00 -1.26 -1.22 120.64 114.57 3dkb n GLU 4338Ca 0.17 0.61 0.04 0.00 0.00 0.00 0.00 57.16 57.98 3dkb n GLU 4338Cb 0.55 -1.96 0.06 0.00 0.00 0.00 0.00 31.44 30.09 3dkb n GLU 4338CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3dkb n ILE 4339N -2.15 0.79 -3.42 3.84 -5.35 0.23 -4.95 119.36 108.35 3dkb n ILE 4339Ca -0.01 -0.96 -0.44 0.00 -0.27 0.00 0.00 62.75 61.07 3dkb n ILE 4339Cb 0.10 0.19 -0.07 0.00 -1.74 0.00 0.00 39.64 38.12 3dkb n ILE 4339CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dkb s ASN 4340N -1.79 6.01 0.39 7.28 3.84 -0.36 -4.81 114.94 125.49 3dkb s ASN 4340Ca 0.14 -1.62 0.22 0.00 0.21 0.00 0.00 52.86 51.80 3dkb s ASN 4340Cb 0.12 -2.13 0.26 0.00 -0.55 0.00 0.00 41.25 38.94 3dkb s ASN 4340CO 0.01 -0.71 1.52 -0.07 -2.79 0.00 0.00 177.10 175.06 3dkb h LEU 4341N 8.70 0.00 -0.91 3.21 3.38 -1.86 -3.27 115.31 124.56 3dkb h LEU 4341Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 3dkb h LEU 4341Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3dkb h LEU 4341CO 0.91 0.09 -0.24 0.58 0.09 0.00 0.00 178.44 179.88 3dkb h VAL 4342N 0.00 1.26 -0.19 1.22 2.07 -1.91 -0.92 116.25 117.79 3dkb h VAL 4342Ca -0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3dkb h VAL 4342Cb 1.07 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3dkb h VAL 4342CO 0.01 0.41 0.06 0.44 0.02 0.00 0.00 177.57 178.51 3dkb h ASP 4343N 0.47 0.27 -0.26 0.57 3.45 -1.96 -0.23 116.42 118.73 3dkb h ASP 4343Ca 0.07 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.33 3dkb h ASP 4343Cb 0.67 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.35 3dkb h ASP 4343CO 0.05 0.40 0.17 0.44 -1.57 0.00 0.00 179.24 178.72 3dkb h ASP 4344N 0.13 0.30 -0.28 6.45 5.19 -1.61 -0.10 116.42 126.50 3dkb h ASP 4344Ca 0.06 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 3dkb h ASP 4344Cb 0.22 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3dkb h ASP 4344CO -0.00 0.24 0.04 0.22 -3.12 0.00 0.00 179.24 176.61 3dkb h TYR 4345N 0.34 0.60 -0.51 4.55 3.20 -1.08 -2.09 116.97 121.97 3dkb h TYR 4345Ca 0.09 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3dkb h TYR 4345Cb -0.02 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 3dkb h TYR 4345CO -0.05 0.56 -0.07 0.35 -1.64 0.00 0.00 178.16 177.30 3dkb h PHE 4346N 0.56 1.02 -0.27 -3.82 3.57 -0.26 -2.12 116.94 115.63 3dkb h PHE 4346Ca 0.12 -0.19 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3dkb h PHE 4346Cb 0.30 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3dkb h PHE 4346CO 0.01 0.95 -0.06 0.93 -2.23 0.00 0.00 178.31 177.91 3dkb h GLU 4347N 0.84 0.42 0.01 1.11 5.08 -0.52 0.15 114.58 121.67 3dkb h GLU 4347Ca 0.14 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dkb h GLU 4347Cb 0.60 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3dkb h GLU 4347CO 0.04 0.50 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.47 3dkb h LEU 4348N 0.40 -0.02 -1.22 1.33 4.07 -0.85 -1.96 115.31 117.06 3dkb h LEU 4348Ca 0.08 -0.20 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 3dkb h LEU 4348Cb 0.37 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3dkb h LEU 4348CO 0.02 0.19 -0.10 0.58 -1.08 0.00 0.00 178.44 178.05 3dkb h VAL 4349N -0.23 1.21 -0.78 1.22 2.07 -1.09 -0.59 116.25 118.06 3dkb h VAL 4349Ca -0.00 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3dkb h VAL 4349Cb 0.22 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3dkb h VAL 4349CO 0.00 0.29 0.30 -0.61 0.02 0.00 0.00 177.57 177.58 3dkb h GLN 4350N 0.39 1.16 0.10 1.57 4.15 -0.51 -1.91 115.11 120.06 3dkb h GLN 4350Ca 0.08 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 3dkb h GLN 4350Cb 0.42 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3dkb h GLN 4350CO 0.02 0.95 -0.05 1.25 -1.93 0.00 0.00 178.83 179.07 3dkb h HIS 4351N 1.13 -0.13 0.00 3.99 2.76 -1.03 -2.81 115.15 119.06 3dkb h HIS 4351Ca 0.26 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3dkb h HIS 4351Cb 0.22 0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3dkb h HIS 4351CO 0.02 0.38 0.00 0.93 -1.30 0.00 0.00 177.93 177.96 3dkb h GLU 4352N -0.86 0.00 0.01 5.26 4.39 -1.15 -1.74 114.58 120.48 3dkb h GLU 4352Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3dkb h GLU 4352Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3dkb h GLU 4352CO 0.02 0.00 -0.05 -0.92 -1.16 0.00 0.00 179.01 176.90 3dkb h TYR 4353N 0.00 0.04 -0.92 4.33 3.20 -1.35 -1.32 116.97 120.94 3dkb h TYR 4353Ca 0.00 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3dkb h TYR 4353Cb 0.11 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3dkb h TYR 4353CO 0.00 0.92 0.60 0.87 -1.64 0.00 0.00 178.16 178.91 3dkb h LYS 4354N -0.85 0.95 -0.00 1.82 1.57 -1.11 0.74 116.57 119.69 3dkb h LYS 4354Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3dkb h LYS 4354Cb 0.94 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dkb h LYS 4354CO 0.01 0.63 -0.00 1.63 -0.57 0.00 0.00 179.45 181.15 3dkb n LYS 4355N -4.53 0.76 -0.07 3.15 5.02 -0.72 -2.00 118.16 119.78 3dkb n LYS 4355Ca 0.15 -0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 3dkb n LYS 4355Cb 0.27 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.62 3dkb n LYS 4355CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3dkb n TRP 4356N -1.12 0.00 -0.03 2.13 -0.00 0.23 -3.35 117.44 115.30 3dkb n TRP 4356Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.55 3dkb n TRP 4356Cb 0.17 -0.82 -0.12 0.00 -0.00 0.00 0.00 31.31 30.54 3dkb n TRP 4356CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3dkb h GLN 4357N 0.00 0.11 0.00 5.87 4.20 -0.54 -1.56 115.11 123.19 3dkb h GLN 4357Ca -0.36 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 3dkb h GLN 4357Cb 1.81 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.62 3dkb h GLN 4357CO 0.02 0.95 -0.30 0.93 -0.67 0.00 0.00 178.83 179.76 3dkb h GLU 4358N -0.66 0.00 0.18 1.46 5.08 -1.61 -3.07 114.58 115.96 3dkb h GLU 4358Ca -0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.02 3dkb h GLU 4358Cb 1.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.32 3dkb h GLU 4358CO 0.04 0.30 -1.32 -0.91 -1.00 0.00 0.00 179.01 176.11 3dkb h ASN 4359N 0.00 0.84 0.00 1.42 2.35 -1.58 -3.26 115.58 115.36 3dkb h ASN 4359Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 3dkb h ASN 4359Cb 0.59 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3dkb h ASN 4359CO 0.04 1.65 0.00 -1.54 -1.65 0.00 0.00 177.43 175.92 3dkb n SER 4360N -3.79 0.30 -0.45 5.81 3.41 -0.59 -2.80 113.62 115.51 3dkb n SER 4360Ca -0.15 -0.61 0.05 0.00 -0.26 0.00 0.00 58.87 57.90 3dkb n SER 4360Cb 1.03 -0.15 0.14 0.00 -0.26 0.00 0.00 64.21 64.97 3dkb n SER 4360CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dkb n GLU 4361N 0.34 1.57 0.00 4.33 1.02 -1.23 -5.06 120.64 121.61 3dkb n GLU 4361Ca 0.00 -0.88 0.07 0.00 -0.02 0.00 0.00 57.16 56.33 3dkb n GLU 4361Cb 0.08 -1.21 0.06 0.00 -0.02 0.00 0.00 31.44 30.34 3dkb n GLU 4361CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35