#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orj n ASN 4003N 0.00 0.10 0.27 0.55 5.15 -1.26 -4.80 115.26 115.27 1orj n ASN 4003Ca 0.00 0.08 0.15 0.00 -0.60 0.00 0.00 54.58 54.21 1orj n ASN 4003Cb 0.00 -0.17 0.71 0.00 -0.53 0.00 0.00 39.78 39.78 1orj n ASN 4003CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1orj h ILE 4004N 1.44 0.33 -0.05 -1.44 2.10 -1.99 -2.75 117.51 115.14 1orj h ILE 4004Ca -0.01 -0.61 0.02 0.00 1.08 0.00 0.00 64.86 65.33 1orj h ILE 4004Cb 0.26 1.46 -0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1orj h ILE 4004CO 0.24 0.09 0.10 0.00 -1.08 0.00 0.00 178.15 177.50 1orj h ALA 4005N 1.90 1.42 0.00 0.18 0.00 -1.94 -0.74 119.26 120.08 1orj h ALA 4005Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1orj h ALA 4005Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1orj h ALA 4005CO 0.01 -0.13 -0.00 0.93 0.00 0.00 0.00 179.25 180.07 1orj h GLU 4006N 0.00 0.00 -0.76 0.00 4.39 -1.65 0.14 114.58 116.69 1orj h GLU 4006Ca 0.03 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.79 1orj h GLU 4006Cb 0.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 1orj h GLU 4006CO -0.00 0.00 0.50 0.00 -1.16 0.00 0.00 179.01 178.35 1orj h ALA 4007N 2.00 1.68 0.00 3.43 0.00 -1.35 -3.36 119.26 121.65 1orj h ALA 4007Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1orj h ALA 4007Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1orj h ALA 4007CO 0.00 0.20 -1.04 0.66 0.00 0.00 0.00 179.25 179.07 1orj n TYR 4008N -4.48 0.00 -4.45 0.00 4.01 -0.91 0.17 117.16 111.50 1orj n TYR 4008Ca 0.11 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.63 1orj n TYR 4008Cb 0.23 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 1orj n TYR 4008CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1orj s PHE 4009N -2.01 2.07 0.30 -0.72 0.08 0.43 -4.66 117.98 113.45 1orj s PHE 4009Ca -0.01 -0.57 -0.21 0.00 0.12 0.00 0.00 56.93 56.26 1orj s PHE 4009Cb 0.00 -1.10 -0.09 0.00 -0.57 0.00 0.00 43.02 41.26 1orj s PHE 4009CO 0.02 0.43 0.82 -0.65 -0.10 0.00 0.00 175.22 175.74 1orj s GLN 4010N -3.65 4.30 0.26 0.44 -1.52 -1.26 -4.20 119.66 114.03 1orj s GLN 4010Ca 0.29 1.00 -0.12 0.00 -1.95 0.00 0.00 55.36 54.58 1orj s GLN 4010Cb 0.01 -2.69 0.37 0.00 -0.22 0.00 0.00 33.01 30.48 1orj s GLN 4010CO 0.13 0.27 1.56 -0.97 -0.25 0.00 0.00 175.29 176.02 1orj h ASN 4011N 2.95 -1.13 -0.52 5.90 -0.73 -1.97 -3.02 115.58 117.05 1orj h ASN 4011Ca -0.48 0.30 -0.27 0.00 1.87 0.00 0.00 56.30 57.73 1orj h ASN 4011Cb 1.19 0.67 -0.16 0.00 0.27 0.00 0.00 38.32 40.29 1orj h ASN 4011CO 0.65 -0.31 0.11 0.23 -0.37 0.00 0.00 177.43 177.73 1orj n MET 4012N -5.56 1.95 -2.65 6.67 0.00 -1.26 -5.01 117.12 111.26 1orj n MET 4012Ca 0.13 -3.15 -0.41 0.00 0.00 0.00 0.00 57.70 54.28 1orj n MET 4012Cb 0.46 -1.91 -0.05 0.00 0.00 0.00 0.00 33.22 31.72 1orj n MET 4012CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1orj s VAL 4013N -3.27 4.13 -0.32 2.03 1.01 -1.15 -4.95 120.40 117.88 1orj s VAL 4013Ca 0.48 1.89 0.10 0.00 0.00 0.00 0.00 61.98 64.44 1orj s VAL 4013Cb 0.43 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1orj s VAL 4013CO 0.03 0.35 0.35 -0.62 0.00 0.00 0.00 175.10 175.20 1orj n GLU 4014N 2.26 2.83 -2.07 2.72 1.02 -1.26 -4.97 120.64 121.17 1orj n GLU 4014Ca 0.01 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1orj n GLU 4014Cb 0.47 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1orj n GLU 4014CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1orj s THR 4015N -2.12 3.29 -0.22 2.62 2.01 -1.26 -4.92 115.64 115.04 1orj s THR 4015Ca 0.02 0.76 0.22 0.00 0.31 0.00 0.00 61.69 63.00 1orj s THR 4015Cb 0.07 -3.49 -0.21 0.00 0.01 0.00 0.00 72.50 68.88 1orj s THR 4015CO 0.40 0.01 0.73 0.00 -0.69 0.00 0.00 174.62 175.07 1orj n ALA 4016N 5.21 2.92 -0.08 7.40 0.00 -1.26 -4.58 120.51 130.12 1orj n ALA 4016Ca 0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 1orj n ALA 4016Cb 0.42 -0.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 1orj n ALA 4016CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1orj h THR 4017N 0.00 0.80 -0.49 0.00 2.02 -1.99 -0.87 112.91 112.37 1orj h THR 4017Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1orj h THR 4017Cb 0.94 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1orj h THR 4017CO 0.00 0.02 0.22 -0.65 0.37 0.00 0.00 175.52 175.48 1orj h PRO 4018N 0.10 0.69 -0.45 6.66 0.11 -2.00 -1.02 132.00 136.08 1orj h PRO 4018Ca 0.14 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 1orj h PRO 4018Cb 0.18 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1orj h PRO 4018CO -0.23 0.55 -0.18 1.25 -0.21 0.00 0.00 178.00 179.18 1orj h LEU 4019N 0.69 0.89 -1.50 2.35 5.85 -1.68 -0.80 115.31 121.12 1orj h LEU 4019Ca 0.17 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1orj h LEU 4019Cb 0.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1orj h LEU 4019CO -0.02 1.06 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.56 1orj h GLU 4020N 0.78 0.00 0.03 1.25 5.08 -0.14 -1.93 114.58 119.64 1orj h GLU 4020Ca 0.11 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1orj h GLU 4020Cb 0.72 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1orj h GLU 4020CO 0.06 0.25 -0.01 1.96 -1.00 0.00 0.00 179.01 180.26 1orj h GLN 4021N 0.00 -0.04 -0.77 2.33 1.08 -0.22 -0.97 115.11 116.51 1orj h GLN 4021Ca -0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1orj h GLN 4021Cb 0.44 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1orj h GLN 4021CO 0.03 0.11 0.49 0.82 -0.95 0.00 0.00 178.83 179.33 1orj h ILE 4022N -0.18 1.10 -0.12 2.54 1.08 -0.79 -2.63 117.51 118.51 1orj h ILE 4022Ca -0.00 -0.32 -0.12 0.00 -0.39 0.00 0.00 64.86 64.02 1orj h ILE 4022Cb 0.16 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 1orj h ILE 4022CO 0.01 0.17 -0.45 0.40 -0.69 0.00 0.00 178.15 177.58 1orj h ILE 4023N 0.94 1.33 -0.24 -0.67 2.04 -1.19 -2.42 117.51 117.30 1orj h ILE 4023Ca 0.31 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.46 1orj h ILE 4023Cb 0.03 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1orj h ILE 4023CO -0.12 0.49 -0.21 -0.07 0.00 0.00 0.00 178.15 178.24 1orj h LEU 4024N 0.25 0.42 0.15 1.44 3.38 -0.88 -1.86 115.31 118.21 1orj h LEU 4024Ca 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1orj h LEU 4024Cb 0.90 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1orj h LEU 4024CO 0.07 0.64 -0.07 -0.07 0.09 0.00 0.00 178.44 179.10 1orj h LEU 4025N 0.39 -0.18 -0.83 1.67 3.38 -1.09 -1.08 115.31 117.57 1orj h LEU 4025Ca 0.06 -0.20 0.18 0.00 0.09 0.00 0.00 57.88 58.02 1orj h LEU 4025Cb 0.59 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1orj h LEU 4025CO 0.04 0.10 0.31 1.88 0.09 0.00 0.00 178.44 180.86 1orj h TYR 4026N -0.46 0.51 -0.60 1.13 -1.99 -1.50 -1.34 116.97 112.73 1orj h TYR 4026Ca -0.02 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1orj h TYR 4026Cb 0.36 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.96 1orj h TYR 4026CO 0.01 -0.03 0.32 -0.44 -0.00 0.00 0.00 178.16 178.02 1orj h ASP 4027N 0.38 0.76 -0.30 3.88 5.19 -0.62 0.42 116.42 126.13 1orj h ASP 4027Ca 0.49 -0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1orj h ASP 4027Cb 0.86 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1orj h ASP 4027CO -0.50 0.64 -0.06 0.50 -3.12 0.00 0.00 179.24 176.71 1orj h LYS 4028N 0.81 0.56 -0.27 3.56 1.63 -0.78 -1.42 116.57 120.66 1orj h LYS 4028Ca 0.21 -0.21 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1orj h LYS 4028Cb 0.06 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.63 1orj h LYS 4028CO -0.03 0.75 0.08 0.00 -3.45 0.00 0.00 179.45 176.79 1orj h ALA 4029N 0.80 0.29 -0.59 5.00 0.00 -1.09 -1.57 119.26 122.09 1orj h ALA 4029Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1orj h ALA 4029Cb 0.53 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1orj h ALA 4029CO 0.03 -0.33 0.31 0.82 0.00 0.00 0.00 179.25 180.07 1orj h ILE 4030N 0.19 1.20 -0.69 0.00 2.04 -0.74 -0.55 117.51 118.96 1orj h ILE 4030Ca 0.12 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1orj h ILE 4030Cb 0.10 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1orj h ILE 4030CO -0.14 0.22 0.14 -0.08 0.00 0.00 0.00 178.15 178.30 1orj h GLU 4031N 0.81 1.12 -0.14 2.37 4.81 -1.10 -0.71 114.58 121.74 1orj h GLU 4031Ca 0.21 -0.28 -0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1orj h GLU 4031Cb 0.08 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1orj h GLU 4031CO -0.03 1.01 -0.69 0.00 -0.73 0.00 0.00 179.01 178.57 1orj h LEU 4033N 0.42 0.65 -0.49 0.00 5.85 -1.04 -1.52 115.31 119.19 1orj h LEU 4033Ca -0.02 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1orj h LEU 4033Cb 1.27 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1orj h LEU 4033CO 0.13 0.94 0.22 -0.33 -0.34 0.00 0.00 178.44 179.05 1orj h GLU 4034N 0.53 0.71 -0.21 1.25 5.08 -1.02 -1.35 114.58 119.56 1orj h GLU 4034Ca 0.06 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1orj h GLU 4034Cb 0.83 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1orj h GLU 4034CO 0.07 0.62 0.08 -0.09 -1.00 0.00 0.00 179.01 178.68 1orj h ARG 4035N 0.64 0.32 -0.93 2.33 9.65 -1.15 -2.17 114.38 123.08 1orj h ARG 4035Ca 0.16 -0.06 0.20 0.00 -1.10 0.00 0.00 59.98 59.18 1orj h ARG 4035Cb 0.15 -0.05 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 1orj h ARG 4035CO -0.02 0.40 0.60 0.00 2.80 0.00 0.00 179.97 183.75 1orj h ALA 4036N 0.91 2.10 -0.02 2.80 0.00 -1.13 -2.48 119.26 121.44 1orj h ALA 4036Ca 0.07 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1orj h ALA 4036Cb 0.20 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1orj h ALA 4036CO -0.00 -0.40 -0.38 0.82 0.00 0.00 0.00 179.25 179.29 1orj h ILE 4037N 0.48 1.48 -0.15 0.00 2.04 -0.87 -2.27 117.51 118.23 1orj h ILE 4037Ca 0.49 -1.94 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1orj h ILE 4037Cb 1.11 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.79 1orj h ILE 4037CO -0.22 0.55 -0.09 1.21 0.00 0.00 0.00 178.15 179.61 1orj n GLU 4038N -4.40 -0.06 -0.05 2.37 2.13 -0.85 -2.01 120.64 117.76 1orj n GLU 4038Ca -0.10 0.99 0.06 0.00 0.66 0.00 0.00 57.16 58.77 1orj n GLU 4038Cb 0.56 -1.48 0.26 0.00 0.27 0.00 0.00 31.44 31.05 1orj n GLU 4038CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1orj n ILE 4039N -3.27 0.14 -0.33 6.31 -5.35 -0.97 -4.26 119.36 111.63 1orj n ILE 4039Ca 0.00 -0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1orj n ILE 4039Cb 0.04 0.04 0.33 0.00 -1.74 0.00 0.00 39.64 38.31 1orj n ILE 4039CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 1orj h TYR 4040N 0.87 1.00 -0.01 4.28 5.03 -0.78 -1.58 116.97 125.77 1orj h TYR 4040Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1orj h TYR 4040Cb 0.19 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.17 1orj h TYR 4040CO 0.07 0.29 -0.06 -0.25 -1.32 0.00 0.00 178.16 176.90 1orj n ASP 4041N -4.67 1.39 -1.54 -2.11 8.00 -1.26 -3.42 116.55 112.94 1orj n ASP 4041Ca 0.21 -1.36 0.09 0.00 0.71 0.00 0.00 54.79 54.43 1orj n ASP 4041Cb 0.52 0.03 0.35 0.00 -0.02 0.00 0.00 41.12 42.00 1orj n ASP 4041CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1orj n GLN 4042N -0.01 3.92 0.00 -1.24 6.02 -0.60 -4.61 117.38 120.86 1orj n GLN 4042Ca 0.17 -2.92 0.09 0.00 -0.01 0.00 0.00 57.00 54.34 1orj n GLN 4042Cb 0.35 -1.96 0.47 0.00 1.02 0.00 0.00 30.24 30.13 1orj n GLN 4042CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1orj n VAL 4043N 0.77 0.44 0.29 5.09 3.14 -1.22 -1.88 118.33 124.95 1orj n VAL 4043Ca 0.25 0.11 0.18 0.00 -2.96 0.00 0.00 64.34 61.92 1orj n VAL 4043Cb 0.95 -0.80 0.75 0.00 -1.06 0.00 0.00 33.84 33.68 1orj n VAL 4043CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1orj h ASN 4044N 0.00 0.00 -3.26 6.55 -0.00 -1.90 -3.38 115.58 113.59 1orj h ASN 4044Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 56.30 55.72 1orj h ASN 4044Cb 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.44 1orj h ASN 4044CO 0.00 0.00 -0.13 -1.61 -0.00 0.00 0.00 177.43 175.69 1orj s GLU 4045N -3.72 4.25 0.16 4.14 2.02 -0.79 -5.01 118.70 119.75 1orj s GLU 4045Ca 0.00 0.48 -0.25 0.00 0.02 0.00 0.00 54.97 55.23 1orj s GLU 4045Cb 0.09 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.98 1orj s GLU 4045CO 0.53 0.30 1.59 1.25 0.02 0.00 0.00 175.26 178.95 1orj h LEU 4046N 6.13 -1.21 -0.88 1.80 7.12 -1.87 -1.06 115.31 125.33 1orj h LEU 4046Ca -0.44 0.20 -0.06 0.00 0.13 0.00 0.00 57.88 57.71 1orj h LEU 4046Cb 1.19 0.55 -0.03 0.00 -0.53 0.00 0.00 40.66 41.84 1orj h LEU 4046CO 0.72 -0.35 0.13 -0.33 -0.13 0.00 0.00 178.44 178.48 1orj h GLU 4047N -0.30 0.95 0.00 1.25 4.39 -1.94 -2.14 114.58 116.79 1orj h GLU 4047Ca 0.15 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1orj h GLU 4047Cb 0.56 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1orj h GLU 4047CO -0.54 0.86 -0.48 0.87 -1.16 0.00 0.00 179.01 178.57 1orj h LYS 4048N 0.91 0.00 -0.30 2.33 1.79 -1.72 -1.33 116.57 118.25 1orj h LYS 4048Ca 0.19 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.49 1orj h LYS 4048Cb 0.35 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1orj h LYS 4048CO 0.00 0.48 -0.48 -0.09 -1.08 0.00 0.00 179.45 178.28 1orj h ARG 4049N 0.00 0.80 -0.43 3.15 2.43 -0.71 -1.34 114.38 118.28 1orj h ARG 4049Ca -0.00 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 1orj h ARG 4049Cb 1.04 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 1orj h ARG 4049CO 0.06 1.10 0.19 0.87 -1.51 0.00 0.00 179.97 180.68 1orj h LYS 4050N 0.63 0.64 -0.12 0.20 1.57 -1.17 -1.52 116.57 116.80 1orj h LYS 4050Ca 0.03 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1orj h LYS 4050Cb 1.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1orj h LYS 4050CO 0.11 0.58 -0.46 1.49 -0.57 0.00 0.00 179.45 180.59 1orj h GLU 4051N 0.56 0.29 0.19 3.15 4.81 -1.20 -1.75 114.58 120.63 1orj h GLU 4051Ca 0.15 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1orj h GLU 4051Cb 0.16 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1orj h GLU 4051CO -0.01 0.70 -0.09 0.35 -0.73 0.00 0.00 179.01 179.23 1orj h PHE 4052N 0.24 -0.23 -0.62 0.92 3.57 -1.02 -1.59 116.94 118.21 1orj h PHE 4052Ca 0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1orj h PHE 4052Cb 0.91 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1orj h PHE 4052CO 0.02 0.02 0.39 0.28 -2.23 0.00 0.00 178.31 176.80 1orj h VAL 4053N -0.47 1.11 0.36 1.41 2.07 -1.16 -1.22 116.25 118.35 1orj h VAL 4053Ca -0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1orj h VAL 4053Cb 0.36 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1orj h VAL 4053CO 0.04 0.14 -0.39 -0.33 0.02 0.00 0.00 177.57 177.05 1orj h GLU 4054N 0.79 -0.76 -0.84 1.57 5.08 -1.28 -1.06 114.58 118.09 1orj h GLU 4054Ca 0.24 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1orj h GLU 4054Cb -0.02 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1orj h GLU 4054CO -0.08 -0.51 0.55 -0.91 -1.00 0.00 0.00 179.01 177.06 1orj h ASN 4055N -0.79 0.86 -0.03 1.42 2.35 -1.13 -1.99 115.58 116.28 1orj h ASN 4055Ca -0.03 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1orj h ASN 4055Cb 0.71 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1orj h ASN 4055CO -0.09 0.58 -0.41 0.40 -1.65 0.00 0.00 177.43 176.26 1orj h ILE 4056N 0.99 1.30 -0.69 2.81 1.08 -0.96 -1.52 117.51 120.52 1orj h ILE 4056Ca 0.34 -1.58 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1orj h ILE 4056Cb 0.10 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1orj h ILE 4056CO -0.11 0.50 0.22 0.44 -0.69 0.00 0.00 178.15 178.51 1orj h ASP 4057N 0.46 0.98 0.23 1.72 3.32 -0.49 0.01 116.42 122.65 1orj h ASP 4057Ca 0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1orj h ASP 4057Cb 0.92 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1orj h ASP 4057CO 0.08 0.91 -0.11 0.03 -1.72 0.00 0.00 179.24 178.43 1orj h ARG 4058N 1.02 -0.30 -0.22 3.56 3.08 -1.22 0.42 114.38 120.71 1orj h ARG 4058Ca 0.23 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1orj h ARG 4058Cb 0.28 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1orj h ARG 4058CO -0.01 -0.18 -0.04 0.28 -1.07 0.00 0.00 179.97 178.95 1orj h VAL 4059N -0.35 0.79 -0.91 2.04 2.07 -1.15 0.13 116.25 118.86 1orj h VAL 4059Ca -0.03 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1orj h VAL 4059Cb 0.27 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1orj h VAL 4059CO 0.05 0.00 0.57 0.22 0.02 0.00 0.00 177.57 178.44 1orj h TYR 4060N 0.01 1.06 -0.25 1.57 3.20 -0.73 -0.75 116.97 121.08 1orj h TYR 4060Ca 0.11 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1orj h TYR 4060Cb 0.16 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1orj h TYR 4060CO -0.22 0.52 -0.24 -0.44 -1.64 0.00 0.00 178.16 176.14 1orj h ASP 4061N 1.02 0.64 -0.44 -2.11 3.32 0.79 -1.45 116.42 118.19 1orj h ASP 4061Ca 0.41 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1orj h ASP 4061Cb 0.22 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1orj h ASP 4061CO -0.19 0.98 0.10 0.40 -1.72 0.00 0.00 179.24 178.81 1orj h ILE 4062N 0.31 1.23 -0.26 0.35 2.04 -0.52 -2.18 117.51 118.48 1orj h ILE 4062Ca 0.04 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.98 1orj h ILE 4062Cb 0.79 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1orj h ILE 4062CO 0.06 0.29 -0.29 0.40 0.00 0.00 0.00 178.15 178.61 1orj h ILE 4063N 0.58 1.28 -0.76 -0.67 1.08 -1.12 -0.83 117.51 117.07 1orj h ILE 4063Ca 0.14 -1.35 0.02 0.00 -0.39 0.00 0.00 64.86 63.27 1orj h ILE 4063Cb 0.32 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1orj h ILE 4063CO 0.00 0.43 0.50 0.28 -0.69 0.00 0.00 178.15 178.67 1orj h SER 4064N 0.45 0.84 0.46 1.72 0.02 -1.10 0.13 113.55 116.06 1orj h SER 4064Ca 0.06 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1orj h SER 4064Cb 0.73 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1orj h SER 4064CO 0.06 0.60 -0.22 0.00 -1.14 0.00 0.00 176.83 176.13 1orj h ALA 4065N 1.29 -0.61 -0.92 3.77 0.00 -0.99 -0.15 119.26 121.65 1orj h ALA 4065Ca 0.29 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.29 1orj h ALA 4065Cb -0.07 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.82 1orj h ALA 4065CO -0.08 -0.81 0.43 -0.07 0.00 0.00 0.00 179.25 178.72 1orj h LEU 4066N -0.68 0.36 -0.09 0.00 3.38 -0.95 0.76 115.31 118.08 1orj h LEU 4066Ca -0.06 0.16 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 1orj h LEU 4066Cb 0.51 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1orj h LEU 4066CO 0.10 -0.03 -1.02 0.50 0.09 0.00 0.00 178.44 178.09 1orj h LYS 4067N 0.39 0.44 -0.55 1.13 3.64 -0.47 -3.21 116.57 117.94 1orj h LYS 4067Ca 0.60 -0.51 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1orj h LYS 4067Cb 1.18 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1orj h LYS 4067CO -0.55 1.17 -0.06 1.03 -2.27 0.00 0.00 179.45 178.77 1orj h SER 4068N 0.23 0.98 0.39 4.20 0.87 -0.21 -2.75 113.55 117.26 1orj h SER 4068Ca -0.10 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1orj h SER 4068Cb 1.67 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1orj h SER 4068CO 0.18 1.06 0.00 0.49 -0.53 0.00 0.00 176.83 178.03 1orj n PHE 4069N -4.16 0.54 -1.77 2.24 3.01 0.18 -4.86 117.46 112.64 1orj n PHE 4069Ca 0.02 0.24 -0.40 0.00 1.01 0.00 0.00 57.45 58.32 1orj n PHE 4069Cb 0.37 -0.88 0.02 0.00 -0.01 0.00 0.00 39.48 38.97 1orj n PHE 4069CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1orj s LEU 4070N -4.03 4.12 -1.10 4.37 1.43 -1.04 -4.88 118.68 117.56 1orj s LEU 4070Ca 0.02 2.96 -0.18 0.00 -1.03 0.00 0.00 54.13 55.91 1orj s LEU 4070Cb 0.07 -3.91 0.12 0.00 0.03 0.00 0.00 46.19 42.50 1orj s LEU 4070CO 0.26 -1.18 1.38 -0.62 0.23 0.00 0.00 176.35 176.42 1orj s ASP 4071N -0.45 6.79 0.21 2.29 2.15 0.13 -4.79 116.67 122.99 1orj s ASP 4071Ca 0.61 -2.34 -0.05 0.00 0.43 0.00 0.00 52.55 51.19 1orj s ASP 4071Cb -0.45 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 39.88 1orj s ASP 4071CO 0.58 -1.04 1.61 0.45 -0.17 0.00 0.00 175.17 176.59 1orj h HIS 4072N 8.20 0.90 -0.35 -5.34 3.86 -1.90 0.18 115.15 120.70 1orj h HIS 4072Ca 0.27 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1orj h HIS 4072Cb 0.94 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1orj h HIS 4072CO 1.21 0.95 0.13 1.49 0.86 0.00 0.00 177.93 182.57 1orj h GLU 4073N 0.68 0.53 -0.08 2.45 4.81 -1.96 -3.31 114.58 117.70 1orj h GLU 4073Ca 0.09 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1orj h GLU 4073Cb 0.77 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1orj h GLU 4073CO 0.06 0.54 0.00 1.63 -0.73 0.00 0.00 179.01 180.51 1orj n LYS 4074N -4.67 2.24 0.00 1.92 4.76 -1.20 -4.63 118.16 116.58 1orj n LYS 4074Ca -0.01 -2.24 0.12 0.00 -2.87 0.00 0.00 58.31 53.31 1orj n LYS 4074Cb 0.15 -1.38 0.16 0.00 -1.84 0.00 0.00 35.03 32.12 1orj n LYS 4074CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1orj n GLY 4075N -0.79 0.60 7.00 0.72 0.00 0.63 -4.98 105.19 108.38 1orj n GLY 4075Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1orj n GLY 4075CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1orj n LYS 4076N 0.83 0.00 0.15 1.61 5.02 -1.26 -1.50 118.16 123.01 1orj n LYS 4076Ca 0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1orj n LYS 4076Cb 0.53 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 36.03 1orj n LYS 4076CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1orj h GLU 4077N 0.00 0.00 -0.20 1.97 9.09 -1.96 -3.19 114.58 120.29 1orj h GLU 4077Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1orj h GLU 4077Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1orj h GLU 4077CO 0.00 0.00 -0.15 0.82 0.05 0.00 0.00 179.01 179.73 1orj h ILE 4078N 0.00 1.32 -0.43 -1.06 2.04 -1.86 0.50 117.51 118.02 1orj h ILE 4078Ca 0.00 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1orj h ILE 4078Cb 0.50 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1orj h ILE 4078CO 0.00 0.39 0.19 0.00 0.00 0.00 0.00 178.15 178.73 1orj h ALA 4079N 0.67 0.56 -0.36 1.87 0.00 -1.26 -2.43 119.26 118.32 1orj h ALA 4079Ca 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1orj h ALA 4079Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1orj h ALA 4079CO 0.04 0.14 0.20 -0.22 0.00 0.00 0.00 179.25 179.41 1orj h LYS 4080N 0.56 0.39 -0.29 0.00 1.63 -1.55 0.54 116.57 117.85 1orj h LYS 4080Ca 0.15 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1orj h LYS 4080Cb 0.15 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1orj h LYS 4080CO -0.02 0.26 -0.13 -0.91 -3.45 0.00 0.00 179.45 175.20 1orj h ASN 4081N 0.40 0.48 -0.14 4.20 2.35 -0.83 -1.19 115.58 120.86 1orj h ASN 4081Ca 0.15 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1orj h ASN 4081Cb 0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1orj h ASN 4081CO -0.08 0.64 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.91 1orj h LEU 4082N 0.46 0.68 0.33 1.61 3.38 -0.91 -2.16 115.31 118.71 1orj h LEU 4082Ca 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1orj h LEU 4082Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1orj h LEU 4082CO 0.03 0.97 -0.25 -0.78 0.09 0.00 0.00 178.44 178.50 1orj h ASP 4083N 0.54 -0.65 -0.64 -0.43 3.58 0.11 0.76 116.42 119.70 1orj h ASP 4083Ca 0.05 0.05 0.13 0.00 0.42 0.00 0.00 57.03 57.68 1orj h ASP 4083Cb 0.87 0.21 -0.12 0.00 1.72 0.00 0.00 39.33 42.01 1orj h ASP 4083CO 0.08 -0.38 -0.11 0.74 -2.88 0.00 0.00 179.24 176.68 1orj h THR 4084N -0.58 0.39 -0.40 2.25 2.02 -1.18 0.41 112.91 115.82 1orj h THR 4084Ca -0.03 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1orj h THR 4084Cb 0.51 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1orj h THR 4084CO -0.00 0.01 0.08 0.40 0.37 0.00 0.00 175.52 176.37 1orj h ILE 4085N 0.03 1.24 -0.70 3.11 2.04 -1.01 -1.32 117.51 120.89 1orj h ILE 4085Ca 0.32 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1orj h ILE 4085Cb 0.50 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1orj h ILE 4085CO -0.62 0.29 0.45 1.88 0.00 0.00 0.00 178.15 180.15 1orj h TYR 4086N 0.51 0.86 -0.00 1.37 0.05 0.21 -1.72 116.97 118.24 1orj h TYR 4086Ca 0.12 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.94 1orj h TYR 4086Cb 0.35 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 1orj h TYR 4086CO 0.02 0.52 -0.08 1.15 -1.05 0.00 0.00 178.16 178.72 1orj h THR 4087N 0.91 0.80 -0.46 -2.88 2.02 0.19 -0.07 112.91 113.42 1orj h THR 4087Ca 0.27 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.52 1orj h THR 4087Cb -0.05 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 1orj h THR 4087CO -0.08 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.31 1orj h ILE 4088N -0.14 0.76 -0.92 3.11 2.04 -1.02 0.98 117.51 122.33 1orj h ILE 4088Ca 0.03 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1orj h ILE 4088Cb 0.18 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1orj h ILE 4088CO -0.08 0.04 0.60 0.40 0.00 0.00 0.00 178.15 179.11 1orj h ILE 4089N 0.24 1.17 -0.29 -0.67 2.04 -0.79 -1.70 117.51 117.51 1orj h ILE 4089Ca 0.23 -0.40 -0.16 0.00 1.00 0.00 0.00 64.86 65.53 1orj h ILE 4089Cb 0.28 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1orj h ILE 4089CO -0.29 0.21 -0.45 -0.07 0.00 0.00 0.00 178.15 177.56 1orj h LEU 4090N 1.17 0.81 -1.44 1.44 3.38 -0.06 -2.09 115.31 118.52 1orj h LEU 4090Ca 0.36 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1orj h LEU 4090Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1orj h LEU 4090CO -0.11 1.14 -0.12 0.78 0.09 0.00 0.00 178.44 180.22 1orj h ASN 4091N 0.60 0.21 0.10 -0.43 2.35 -0.48 -2.46 115.58 115.47 1orj h ASN 4091Ca 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1orj h ASN 4091Cb 1.01 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1orj h ASN 4091CO 0.10 0.35 -0.05 0.74 -1.65 0.00 0.00 177.43 176.92 1orj h THR 4092N 0.21 1.11 -0.21 2.81 2.02 -0.87 -3.09 112.91 114.89 1orj h THR 4092Ca 0.04 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1orj h THR 4092Cb 0.35 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1orj h THR 4092CO 0.02 0.21 0.18 -0.07 0.37 0.00 0.00 175.52 176.23 1orj h LEU 4093N -0.55 0.00 -0.06 2.58 3.38 -1.22 -2.29 115.31 117.14 1orj h LEU 4093Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1orj h LEU 4093Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1orj h LEU 4093CO 0.02 0.00 -0.72 0.58 0.09 0.00 0.00 178.44 178.41 1orj h VAL 4094N 0.00 1.26 -3.95 1.22 2.07 -1.36 -3.46 116.25 112.03 1orj h VAL 4094Ca 0.10 -2.72 -0.48 0.00 0.82 0.00 0.00 66.70 64.42 1orj h VAL 4094Cb 0.46 2.58 0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1orj h VAL 4094CO -0.00 0.70 0.41 -1.59 0.02 0.00 0.00 177.57 177.11 1orj s LYS 4095N -2.89 4.22 0.10 1.57 -2.85 -0.86 -4.95 119.74 114.07 1orj s LYS 4095Ca 0.02 1.52 -0.22 0.00 -1.00 0.00 0.00 55.97 56.29 1orj s LYS 4095Cb 0.09 -2.59 -0.12 0.00 -2.06 0.00 0.00 37.83 33.15 1orj s LYS 4095CO 0.78 -0.09 1.73 -0.39 0.10 0.00 0.00 175.35 177.47 1orj h VAL 4096N 2.27 0.95 -0.38 1.79 -1.51 -1.89 -3.28 116.25 114.20 1orj h VAL 4096Ca -0.48 -0.00 -0.40 0.00 -1.23 0.00 0.00 66.70 64.59 1orj h VAL 4096Cb 1.21 0.94 -0.09 0.00 -2.13 0.00 0.00 31.29 31.23 1orj h VAL 4096CO 0.63 0.00 0.74 -0.90 -1.23 0.00 0.00 177.57 176.81 1orj n ASP 4097N -5.12 6.37 -4.79 4.19 5.75 -1.26 -4.92 116.55 116.77 1orj n ASP 4097Ca -0.06 -2.74 -0.38 0.00 -0.01 0.00 0.00 54.79 51.61 1orj n ASP 4097Cb 0.06 -1.39 -0.06 0.00 -1.03 0.00 0.00 41.12 38.69 1orj n ASP 4097CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1orj s LYS 4098N 0.29 4.05 0.42 0.11 -2.85 -1.24 -5.06 119.74 115.46 1orj s LYS 4098Ca 0.64 0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 55.83 1orj s LYS 4098Cb 0.30 -3.31 -0.06 0.00 -2.06 0.00 0.00 37.83 32.70 1orj s LYS 4098CO -0.08 0.48 0.77 0.95 0.10 0.00 0.00 175.35 177.57 1orj s THR 4099N -0.35 4.83 0.45 3.79 -4.23 -1.26 -4.94 115.64 113.92 1orj s THR 4099Ca 0.22 0.50 0.16 0.00 -1.18 0.00 0.00 61.69 61.39 1orj s THR 4099Cb -0.15 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.27 1orj s THR 4099CO 0.10 -0.60 1.98 0.50 -0.54 0.00 0.00 174.62 176.06 1orj h LYS 4100N 1.01 0.31 -0.15 3.99 3.64 -1.99 -1.96 116.57 121.43 1orj h LYS 4100Ca -0.47 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 58.74 1orj h LYS 4100Cb 1.19 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1orj h LYS 4100CO 0.63 0.21 -0.50 1.49 -2.27 0.00 0.00 179.45 179.01 1orj h GLU 4101N 0.32 0.61 -0.98 1.90 4.81 -1.99 -2.00 114.58 117.25 1orj h GLU 4101Ca 0.28 -0.45 0.19 0.00 -0.13 0.00 0.00 59.36 59.25 1orj h GLU 4101Cb 0.66 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.03 1orj h GLU 4101CO -0.07 1.07 0.61 0.93 -0.73 0.00 0.00 179.01 180.82 1orj h GLU 4102N 0.26 0.66 -0.04 1.92 5.08 -1.75 -0.17 114.58 120.55 1orj h GLU 4102Ca -0.02 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1orj h GLU 4102Cb 1.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1orj h GLU 4102CO 0.11 0.44 -0.79 -0.07 -1.00 0.00 0.00 179.01 177.70 1orj h LEU 4103N 0.68 0.37 -0.98 1.33 3.38 -1.10 -2.95 115.31 116.04 1orj h LEU 4103Ca 0.54 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1orj h LEU 4103Cb 0.94 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1orj h LEU 4103CO -0.30 1.02 -0.27 1.56 0.09 0.00 0.00 178.44 180.53 1orj h GLN 4104N 0.19 0.00 0.05 1.13 4.20 -0.31 -1.77 115.11 118.60 1orj h GLN 4104Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1orj h GLN 4104Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1orj h GLN 4104CO 0.13 0.27 -0.02 0.87 -0.67 0.00 0.00 178.83 179.40 1orj h LYS 4105N 0.00 -0.07 -0.93 1.46 1.57 -1.37 -2.71 116.57 114.52 1orj h LYS 4105Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1orj h LYS 4105Cb 0.83 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 1orj h LYS 4105CO 0.04 0.51 0.59 0.82 -0.57 0.00 0.00 179.45 180.84 1orj h ILE 4106N -0.72 0.79 -0.25 1.86 2.04 -1.37 -0.12 117.51 119.74 1orj h ILE 4106Ca -0.01 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1orj h ILE 4106Cb 0.61 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1orj h ILE 4106CO 0.01 0.12 -0.24 0.25 0.00 0.00 0.00 178.15 178.29 1orj h LEU 4107N 0.68 0.48 -0.10 1.44 5.85 -1.27 0.16 115.31 122.54 1orj h LEU 4107Ca 0.48 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 1orj h LEU 4107Cb 0.81 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.72 1orj h LEU 4107CO -0.24 0.72 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.73 1orj h GLU 4108N 0.42 0.54 -0.23 1.25 4.39 -0.76 -1.78 114.58 118.41 1orj h GLU 4108Ca 0.06 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.38 1orj h GLU 4108Cb 0.66 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 1orj h GLU 4108CO 0.05 1.07 -0.12 0.82 -1.16 0.00 0.00 179.01 179.66 1orj h ILE 4109N 0.14 0.63 -0.60 3.13 2.04 -0.89 0.29 117.51 122.25 1orj h ILE 4109Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1orj h ILE 4109Cb 1.17 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1orj h ILE 4109CO 0.11 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.50 1orj h LEU 4110N -0.09 0.75 -0.72 1.44 3.38 -0.67 -0.66 115.31 118.72 1orj h LEU 4110Ca 0.13 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1orj h LEU 4110Cb 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1orj h LEU 4110CO -0.29 0.61 -0.42 0.11 0.09 0.00 0.00 178.44 178.54 1orj h LYS 4111N 0.84 0.48 -0.11 1.13 1.57 -0.39 0.47 116.57 120.57 1orj h LYS 4111Ca 0.21 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1orj h LYS 4111Cb 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1orj h LYS 4111CO -0.03 0.82 -0.07 -0.44 -0.57 0.00 0.00 179.45 179.15 1orj h ASP 4112N 0.40 0.25 -0.94 0.86 3.32 0.05 -2.58 116.42 117.78 1orj h ASP 4112Ca 0.03 -0.44 0.09 0.00 0.02 0.00 0.00 57.03 56.73 1orj h ASP 4112Cb 0.90 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 1orj h ASP 4112CO 0.08 0.64 0.59 -0.07 -1.72 0.00 0.00 179.24 178.75 1orj h LEU 4113N -0.13 0.89 -1.12 1.55 3.38 -0.85 -0.60 115.31 118.43 1orj h LEU 4113Ca 0.02 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1orj h LEU 4113Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1orj h LEU 4113CO 0.02 0.52 0.00 -0.09 0.09 0.00 0.00 178.44 178.98 1orj h ARG 4114N 1.00 0.62 -0.24 1.13 2.43 -0.81 -2.19 114.38 116.32 1orj h ARG 4114Ca 0.44 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1orj h ARG 4114Cb 0.33 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1orj h ARG 4114CO -0.22 0.64 0.10 1.49 -1.51 0.00 0.00 179.97 180.46 1orj h GLU 4115N 0.59 0.35 -0.85 0.20 4.22 -0.72 -0.47 114.58 117.91 1orj h GLU 4115Ca 0.12 -0.06 0.15 0.00 0.08 0.00 0.00 59.36 59.65 1orj h GLU 4115Cb 0.37 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1orj h GLU 4115CO 0.01 0.39 0.44 0.00 -2.18 0.00 0.00 179.01 177.68 1orj h ALA 4116N 0.94 1.28 -0.29 2.92 0.00 -1.14 0.39 119.26 123.37 1orj h ALA 4116Ca 0.08 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1orj h ALA 4116Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1orj h ALA 4116CO -0.01 -0.08 -0.25 -1.49 0.00 0.00 0.00 179.25 177.42 1orj h TRP 4117N 0.63 0.64 -0.09 0.00 4.06 -0.76 -2.07 115.95 118.35 1orj h TRP 4117Ca 0.46 -0.14 -0.13 0.00 2.06 0.00 0.00 58.89 61.14 1orj h TRP 4117Cb 0.65 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1orj h TRP 4117CO -0.09 0.77 -0.53 0.93 -3.56 0.00 0.00 178.44 175.95 1orj h GLU 4118N 0.50 0.26 0.64 0.49 4.39 -0.04 -2.42 114.58 118.39 1orj h GLU 4118Ca 0.07 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1orj h GLU 4118Cb 0.70 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1orj h GLU 4118CO 0.05 0.73 -0.46 1.49 -1.16 0.00 0.00 179.01 179.66 1orj h GLU 4119N 0.20 -1.02 -0.74 2.33 4.57 -0.65 -1.34 114.58 117.94 1orj h GLU 4119Ca 0.00 0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.42 1orj h GLU 4119Cb 1.01 0.23 -0.13 0.00 -0.16 0.00 0.00 28.75 29.70 1orj h GLU 4119CO 0.08 -0.68 -0.01 0.28 -1.18 0.00 0.00 179.01 177.51 1orj h VAL 4120N -1.05 0.35 -0.93 0.32 2.07 -1.34 0.15 116.25 115.82 1orj h VAL 4120Ca -0.08 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1orj h VAL 4120Cb 0.87 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1orj h VAL 4120CO 0.04 0.02 0.54 0.50 0.02 0.00 0.00 177.57 178.68 1orj h LYS 4121N 0.09 1.27 0.59 1.57 3.64 -1.27 0.26 116.57 122.73 1orj h LYS 4121Ca 0.40 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1orj h LYS 4121Cb 0.69 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1orj h LYS 4121CO -0.66 0.91 -0.48 0.87 -2.27 0.00 0.00 179.45 177.82 1orj h LYS 4122N 1.28 -1.00 -0.31 1.90 1.57 0.34 -2.05 116.57 118.31 1orj h LYS 4122Ca 0.33 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.24 1orj h LYS 4122Cb -0.02 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1orj h LYS 4122CO -0.06 -0.67 0.22 0.87 -0.57 0.00 0.00 179.45 179.24 1orj h LYS 4123N -1.04 0.12 -0.02 3.15 1.57 -0.41 -1.26 116.57 118.68 1orj h LYS 4123Ca -0.07 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1orj h LYS 4123Cb 0.88 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1orj h LYS 4123CO -0.00 0.08 -0.71 0.28 -0.57 0.00 0.00 179.45 178.53 1orj h VAL 4124N 0.13 1.47 0.01 0.50 2.07 -0.01 -3.32 116.25 117.10 1orj h VAL 4124Ca 0.14 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.33 1orj h VAL 4124Cb 0.41 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1orj h VAL 4124CO -0.02 0.67 -0.01 0.45 0.02 0.00 0.00 177.57 178.69 1orj h HIS 4125N 0.07 -0.02 -0.00 1.57 3.86 -0.57 -3.49 115.15 116.58 1orj h HIS 4125Ca -0.02 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1orj h HIS 4125Cb 1.26 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1orj h HIS 4125CO 0.01 0.70 0.00 0.72 0.86 0.00 0.00 177.93 180.22