#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g61 s ILE 4004N 0.00 0.38 0.07 3.17 1.01 -1.26 -1.16 121.20 123.41 1g61 s ILE 4004Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1g61 s ILE 4004Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1g61 s ILE 4004CO 0.00 0.12 -0.18 0.27 0.00 0.00 0.00 174.94 175.15 1g61 s ILE 4005N -0.00 1.43 -0.02 2.92 -4.36 -0.56 -4.97 121.20 115.63 1g61 s ILE 4005Ca 0.01 -1.32 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1g61 s ILE 4005Cb -0.03 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 1g61 s ILE 4005CO -0.00 -0.05 0.35 -0.13 0.24 0.00 0.00 174.94 175.35 1g61 s ARG 4006N -1.59 3.81 -0.02 0.37 0.52 -1.26 -0.29 118.95 120.49 1g61 s ARG 4006Ca 0.03 0.30 -0.18 0.00 -0.52 0.00 0.00 55.73 55.36 1g61 s ARG 4006Cb -0.09 -3.21 0.03 0.00 0.52 0.00 0.00 34.95 32.20 1g61 s ARG 4006CO 0.03 0.71 0.39 0.21 0.02 0.00 0.00 175.30 176.65 1g61 s LYS 4007N -1.08 0.74 0.07 3.54 2.47 0.11 -4.83 119.74 120.76 1g61 s LYS 4007Ca 0.22 -0.08 0.03 0.00 -1.56 0.00 0.00 55.97 54.58 1g61 s LYS 4007Cb -0.16 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1g61 s LYS 4007CO 0.11 -0.21 0.06 0.71 0.16 0.00 0.00 175.35 176.18 1g61 s TYR 4008N -1.26 3.15 -0.44 4.03 1.51 -1.26 -0.85 117.35 122.22 1g61 s TYR 4008Ca -0.13 0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 55.88 1g61 s TYR 4008Cb -0.04 -1.62 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 1g61 s TYR 4008CO 0.05 0.51 0.32 -0.06 -1.11 0.00 0.00 175.55 175.27 1g61 s PHE 4009N -1.34 3.29 -1.54 2.71 0.08 -0.03 -4.52 117.98 116.63 1g61 s PHE 4009Ca 0.27 -1.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 1g61 s PHE 4009Cb -0.12 -3.05 0.07 0.00 -0.57 0.00 0.00 43.02 39.35 1g61 s PHE 4009CO 0.20 -0.82 0.58 -1.13 -0.10 0.00 0.00 175.22 173.95 1g61 n SER 4010N 5.06 -1.74 0.00 1.36 3.41 -1.26 -0.91 113.62 119.54 1g61 n SER 4010Ca -0.11 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1g61 n SER 4010Cb 0.43 -2.92 0.00 0.00 -0.26 0.00 0.00 64.21 61.46 1g61 n SER 4010CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g61 n GLY 4011N -1.75 1.85 3.69 5.00 0.00 -1.26 -5.04 105.19 107.68 1g61 n GLY 4011Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1g61 n GLY 4011CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g61 s ILE 4012N -2.38 5.18 -0.98 -0.61 1.01 -0.09 -4.96 121.20 118.38 1g61 s ILE 4012Ca 0.00 0.84 0.26 0.00 0.00 0.00 0.00 60.65 61.75 1g61 s ILE 4012Cb 0.00 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.74 1g61 s ILE 4012CO 0.00 0.27 1.50 -0.81 0.00 0.00 0.00 174.94 175.90 1g61 n PRO 4013N 4.19 0.02 -2.36 2.79 -0.04 -1.26 -0.85 135.00 137.49 1g61 n PRO 4013Ca -0.07 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 1g61 n PRO 4013Cb 0.51 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1g61 n PRO 4013CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g61 n THR 4014N -1.53 4.28 -0.27 0.52 -2.24 -1.26 -4.20 114.28 109.58 1g61 n THR 4014Ca 0.06 -4.34 0.02 0.00 -2.27 0.00 0.00 64.05 57.52 1g61 n THR 4014Cb 0.34 -2.38 0.15 0.00 -2.10 0.00 0.00 70.33 66.34 1g61 n THR 4014CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1g61 h ILE 4015N 3.87 0.88 0.00 2.28 1.08 -1.66 -2.32 117.51 121.63 1g61 h ILE 4015Ca 0.40 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1g61 h ILE 4015Cb 0.66 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1g61 h ILE 4015CO 1.60 0.13 0.00 1.23 -0.69 0.00 0.00 178.15 180.42 1g61 h GLY 4016N 0.70 0.00 1.62 5.37 0.00 -1.02 -2.00 103.07 107.74 1g61 h GLY 4016Ca 0.38 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 1g61 h GLY 4016CO -0.26 0.00 -0.56 -2.08 0.00 0.00 0.00 176.54 173.64 1g61 h VAL 4017N 0.00 1.35 -0.00 4.60 2.07 -1.33 -3.34 116.25 119.61 1g61 h VAL 4017Ca 0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1g61 h VAL 4017Cb 0.54 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1g61 h VAL 4017CO 0.00 0.56 -0.54 0.18 0.02 0.00 0.00 177.57 177.79 1g61 n LEU 4018N -3.93 0.61 -3.58 2.57 4.77 -0.81 -1.26 117.00 115.38 1g61 n LEU 4018Ca -0.03 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 1g61 n LEU 4018Cb 0.60 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1g61 n LEU 4018CO 0.46 0.15 0.24 0.00 -1.33 0.00 0.00 177.39 176.90 1g61 s ALA 4019N -2.96 -1.18 0.06 -1.18 0.00 -0.88 -3.65 121.76 111.97 1g61 s ALA 4019Ca 0.12 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1g61 s ALA 4019Cb 0.17 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1g61 s ALA 4019CO 0.70 -0.59 -0.12 -1.17 0.00 0.00 0.00 175.76 174.58 1g61 s LEU 4020N -2.40 2.27 0.07 0.00 0.20 -0.88 -3.65 118.68 114.28 1g61 s LEU 4020Ca -0.01 -0.59 0.02 0.00 0.69 0.00 0.00 54.13 54.24 1g61 s LEU 4020Cb 0.00 -0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 45.33 1g61 s LEU 4020CO -0.07 -0.12 -0.08 0.28 -0.29 0.00 0.00 176.35 176.07 1g61 s THR 4021N -1.30 0.65 0.00 3.68 -1.32 -1.26 -1.04 115.64 115.04 1g61 s THR 4021Ca -0.05 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 1g61 s THR 4021Cb -0.10 -1.07 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1g61 s THR 4021CO 0.02 -0.57 0.00 0.35 -2.21 0.00 0.00 174.62 172.21 1g61 n THR 4022N 0.85 0.00 0.22 5.08 -2.24 0.51 -4.86 114.28 113.84 1g61 n THR 4022Ca -0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1g61 n THR 4022Cb 0.57 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.27 1g61 n THR 4022CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1g61 h GLU 4023N 0.00 0.00 0.00 -0.78 4.39 -1.93 -3.37 114.58 112.89 1g61 h GLU 4023Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1g61 h GLU 4023Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1g61 h GLU 4023CO 0.00 0.25 -2.31 0.39 -1.16 0.00 0.00 179.01 176.18 1g61 n GLU 4024N -3.48 0.57 -4.19 2.33 4.71 -1.26 -4.68 120.64 114.64 1g61 n GLU 4024Ca -0.00 0.14 -0.14 0.00 -0.01 0.00 0.00 57.16 57.14 1g61 n GLU 4024Cb 0.42 -1.45 -0.11 0.00 -1.01 0.00 0.00 31.44 29.28 1g61 n GLU 4024CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1g61 s ILE 4025N -2.46 1.00 -0.05 -3.67 -4.36 -1.26 -1.40 121.20 108.99 1g61 s ILE 4025Ca -0.31 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 1g61 s ILE 4025Cb 0.08 -1.47 0.02 0.00 1.25 0.00 0.00 42.46 42.35 1g61 s ILE 4025CO 0.52 -0.59 -0.03 -0.89 0.24 0.00 0.00 174.94 174.19 1g61 s THR 4026N -2.62 0.50 -0.17 8.37 2.01 -0.22 -0.36 115.64 123.13 1g61 s THR 4026Ca 0.08 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 1g61 s THR 4026Cb -0.02 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1g61 s THR 4026CO 0.00 0.23 0.09 -0.76 -0.69 0.00 0.00 174.62 173.49 1g61 s LEU 4027N 1.13 4.03 0.15 4.42 1.43 -0.21 -1.10 118.68 128.54 1g61 s LEU 4027Ca -0.08 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1g61 s LEU 4027Cb -0.14 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1g61 s LEU 4027CO -0.01 0.22 -0.11 -0.76 0.23 0.00 0.00 176.35 175.92 1g61 s LEU 4028N 0.09 2.52 0.51 1.79 1.43 -0.07 -2.06 118.68 122.88 1g61 s LEU 4028Ca 0.07 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.96 1g61 s LEU 4028Cb -0.12 -0.42 -0.06 0.00 0.03 0.00 0.00 46.19 45.62 1g61 s LEU 4028CO -0.00 -0.28 1.28 -2.84 0.23 0.00 0.00 176.35 174.74 1g61 s PRO 4029N -3.58 3.40 0.25 1.29 0.02 -1.24 -1.30 135.00 133.83 1g61 s PRO 4029Ca 0.16 2.05 0.23 0.00 0.02 0.00 0.00 61.00 63.47 1g61 s PRO 4029Cb 0.01 -2.33 0.97 0.00 0.02 0.00 0.00 34.50 33.17 1g61 s PRO 4029CO 0.02 -0.92 1.69 0.44 -0.33 0.00 0.00 177.00 177.90 1g61 n ILE 4030N -0.79 0.85 0.82 2.83 -5.35 -1.26 -2.66 119.36 113.80 1g61 n ILE 4030Ca 0.09 0.26 0.13 0.00 -0.27 0.00 0.00 62.75 62.96 1g61 n ILE 4030Cb 0.46 -1.18 0.47 0.00 -1.74 0.00 0.00 39.64 37.65 1g61 n ILE 4030CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 1g61 n PHE 4031N -2.20 0.40 -2.08 4.28 1.16 -1.26 -4.85 117.46 112.91 1g61 n PHE 4031Ca 0.02 0.12 -0.35 0.00 -1.87 0.00 0.00 57.45 55.36 1g61 n PHE 4031Cb 0.22 -0.66 0.02 0.00 -1.61 0.00 0.00 39.48 37.45 1g61 n PHE 4031CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1g61 s LEU 4032N -3.68 3.67 0.68 5.98 1.43 -1.09 -4.99 118.68 120.67 1g61 s LEU 4032Ca 0.12 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1g61 s LEU 4032Cb 0.16 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.88 1g61 s LEU 4032CO 0.59 -1.46 0.95 1.51 0.23 0.00 0.00 176.35 178.16 1g61 s ASP 4033N -1.77 4.64 0.32 2.29 1.47 -1.26 -4.91 116.67 117.45 1g61 s ASP 4033Ca 0.74 -0.09 0.01 0.00 1.18 0.00 0.00 52.55 54.40 1g61 s ASP 4033Cb -0.27 -0.47 0.54 0.00 -0.34 0.00 0.00 42.92 42.38 1g61 s ASP 4033CO 0.31 -1.64 1.90 0.11 0.68 0.00 0.00 175.17 176.53 1g61 h LYS 4034N -0.41 0.74 -0.45 2.11 1.57 -1.99 -1.97 116.57 116.17 1g61 h LYS 4034Ca -0.40 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1g61 h LYS 4034Cb 1.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1g61 h LYS 4034CO 0.47 0.63 0.24 -0.44 -0.57 0.00 0.00 179.45 179.77 1g61 h ASP 4035N 0.73 0.57 -0.08 0.86 3.32 -1.99 0.10 116.42 119.93 1g61 h ASP 4035Ca 0.17 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1g61 h ASP 4035Cb 0.18 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1g61 h ASP 4035CO -0.01 0.50 -0.07 0.44 -1.72 0.00 0.00 179.24 178.38 1g61 h ASP 4036N 0.58 -0.22 0.00 6.45 3.32 -1.90 -1.47 116.42 123.18 1g61 h ASP 4036Ca 0.16 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1g61 h ASP 4036Cb 0.07 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1g61 h ASP 4036CO -0.02 -0.10 -0.00 0.58 -1.72 0.00 0.00 179.24 177.97 1g61 h VAL 4037N -0.09 1.07 -0.96 -1.35 2.07 -1.08 -1.82 116.25 114.09 1g61 h VAL 4037Ca 0.06 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1g61 h VAL 4037Cb 0.17 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1g61 h VAL 4037CO -0.13 0.05 0.61 0.78 0.02 0.00 0.00 177.57 178.90 1g61 h ASN 4038N -0.09 0.97 -0.50 0.57 2.35 -0.92 0.12 115.58 118.08 1g61 h ASN 4038Ca -0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1g61 h ASN 4038Cb 0.09 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1g61 h ASN 4038CO 0.00 0.62 0.30 -0.08 -1.65 0.00 0.00 177.43 176.62 1g61 h GLU 4039N 1.11 0.69 -0.25 0.81 4.81 -1.00 -0.51 114.58 120.24 1g61 h GLU 4039Ca 0.41 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1g61 h GLU 4039Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1g61 h GLU 4039CO -0.17 0.51 0.09 0.28 -0.73 0.00 0.00 179.01 178.98 1g61 h VAL 4040N 0.67 1.19 -0.85 0.32 2.07 -0.80 -1.98 116.25 116.87 1g61 h VAL 4040Ca 0.18 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1g61 h VAL 4040Cb 0.01 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1g61 h VAL 4040CO -0.03 0.19 0.52 -1.28 0.02 0.00 0.00 177.57 176.98 1g61 h SER 4041N 0.24 0.79 -0.29 0.57 0.87 -0.56 -0.94 113.55 114.24 1g61 h SER 4041Ca 0.08 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1g61 h SER 4041Cb 0.21 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1g61 h SER 4041CO -0.00 0.49 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.53 1g61 h GLU 4042N 0.92 0.63 -0.05 2.24 4.81 -0.90 0.13 114.58 122.36 1g61 h GLU 4042Ca 0.38 -0.29 -0.23 0.00 -0.13 0.00 0.00 59.36 59.10 1g61 h GLU 4042Cb 0.23 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1g61 h GLU 4042CO -0.19 0.88 -0.89 -0.24 -0.73 0.00 0.00 179.01 177.84 1g61 h VAL 4043N 0.38 1.34 0.00 0.32 3.04 -1.05 -3.22 116.25 117.05 1g61 h VAL 4043Ca 0.06 -2.24 0.00 0.00 -1.01 0.00 0.00 66.70 63.51 1g61 h VAL 4043Cb 0.71 2.26 0.00 0.00 -2.01 0.00 0.00 31.29 32.24 1g61 h VAL 4043CO 0.05 0.68 -0.60 0.18 -1.01 0.00 0.00 177.57 176.87 1g61 n LEU 4044N -3.83 0.71 -3.52 3.16 4.77 -0.38 -3.91 117.00 114.01 1g61 n LEU 4044Ca -0.07 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 55.95 1g61 n LEU 4044Cb 0.80 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.78 1g61 n LEU 4044CO 0.52 -0.06 0.13 -0.62 -1.33 0.00 0.00 177.39 176.03 1g61 n GLU 4045N -2.12 -6.82 -4.48 3.23 1.02 0.45 -4.70 120.64 107.22 1g61 n GLU 4045Ca 0.03 0.82 -0.23 0.00 -0.02 0.00 0.00 57.16 57.76 1g61 n GLU 4045Cb 0.44 -5.80 -0.11 0.00 -0.02 0.00 0.00 31.44 25.95 1g61 n GLU 4045CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1g61 s THR 4046N -3.37 1.72 -0.05 2.62 -4.23 -1.15 -4.85 115.64 106.33 1g61 s THR 4046Ca 0.18 -2.10 -0.24 0.00 -1.18 0.00 0.00 61.69 58.36 1g61 s THR 4046Cb -0.08 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 1g61 s THR 4046CO 0.74 -0.19 0.72 -0.54 -0.54 0.00 0.00 174.62 174.81 1g61 s LYS 4047N -3.73 4.45 -0.09 3.99 -0.14 -0.50 -4.76 119.74 118.96 1g61 s LYS 4047Ca 0.32 0.93 -0.01 0.00 -1.36 0.00 0.00 55.97 55.85 1g61 s LYS 4047Cb 0.05 -3.44 -0.03 0.00 -1.68 0.00 0.00 37.83 32.74 1g61 s LYS 4047CO 0.14 0.09 -0.04 0.00 -0.76 0.00 0.00 175.35 174.79 1g61 s LEU 4049N -0.64 1.82 -0.16 0.00 2.96 -0.25 -4.96 118.68 117.44 1g61 s LEU 4049Ca 0.10 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.39 1g61 s LEU 4049Cb -0.12 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1g61 s LEU 4049CO 0.02 0.07 0.53 -1.10 -1.32 0.00 0.00 176.35 174.54 1g61 s GLN 4050N 0.68 4.27 0.03 1.98 -0.21 -1.26 -0.90 119.66 124.25 1g61 s GLN 4050Ca -0.13 0.48 -0.22 0.00 0.02 0.00 0.00 55.36 55.51 1g61 s GLN 4050Cb -0.16 -3.50 0.05 0.00 1.00 0.00 0.00 33.01 30.39 1g61 s GLN 4050CO 0.03 -0.02 0.50 -0.08 -2.12 0.00 0.00 175.29 173.60 1g61 s THR 4051N 1.19 0.03 0.54 -0.19 -1.32 -0.42 -4.84 115.64 110.63 1g61 s THR 4051Ca 0.26 -0.28 -0.07 0.00 -1.21 0.00 0.00 61.69 60.39 1g61 s THR 4051Cb -0.15 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 1g61 s THR 4051CO 0.11 -0.16 0.88 0.20 -2.21 0.00 0.00 174.62 173.43 1g61 s ASN 4052N -1.82 6.21 -0.06 8.08 0.01 -1.26 -4.31 114.94 121.78 1g61 s ASN 4052Ca -0.07 1.08 -0.00 0.00 -0.71 0.00 0.00 52.86 53.16 1g61 s ASN 4052Cb -0.01 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.39 1g61 s ASN 4052CO 0.00 -0.71 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.23 1g61 s ILE 4053N -2.91 0.47 -1.30 0.60 1.01 -0.30 -4.79 121.20 113.98 1g61 s ILE 4053Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1g61 s ILE 4053Cb -0.11 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1g61 s ILE 4053CO 0.48 0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1g61 n GLY 4054N 4.58 1.20 2.10 6.18 0.00 -1.24 -1.72 105.19 116.29 1g61 n GLY 4054Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1g61 n GLY 4054CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g61 n GLY 4055N -1.41 1.80 3.61 -0.02 0.00 -1.26 -4.98 105.19 102.92 1g61 n GLY 4055Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1g61 n GLY 4055CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g61 s SER 4056N -3.30 3.88 0.00 1.61 1.04 -0.70 -4.99 113.70 111.24 1g61 s SER 4056Ca 0.00 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.34 1g61 s SER 4056Cb 0.00 -0.40 0.53 0.00 0.10 0.00 0.00 66.02 66.26 1g61 s SER 4056CO 0.00 -0.39 1.44 -1.54 0.98 0.00 0.00 173.24 173.74 1g61 n SER 4057N -0.94 2.82 -2.42 7.02 3.41 -1.26 -1.15 113.62 121.09 1g61 n SER 4057Ca -0.05 -1.92 -0.21 0.00 -0.26 0.00 0.00 58.87 56.43 1g61 n SER 4057Cb 0.66 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1g61 n SER 4057CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1g61 n LEU 4058N 1.06 6.27 -0.25 1.04 4.77 -1.26 -4.56 117.00 124.08 1g61 n LEU 4058Ca 0.18 -3.67 -0.04 0.00 -0.03 0.00 0.00 56.01 52.45 1g61 n LEU 4058Cb 0.49 -1.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.24 1g61 n LEU 4058CO 0.14 1.79 1.15 0.58 -1.33 0.00 0.00 177.39 179.73 1g61 h VAL 4059N 2.21 1.13 0.00 4.08 2.07 -1.64 -1.94 116.25 122.15 1g61 h VAL 4059Ca 0.38 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1g61 h VAL 4059Cb 1.07 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1g61 h VAL 4059CO 0.71 0.16 -0.29 1.23 0.02 0.00 0.00 177.57 179.39 1g61 h GLY 4060N 0.89 0.00 1.92 2.17 0.00 -1.25 -2.18 103.07 104.63 1g61 h GLY 4060Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 1g61 h GLY 4060CO -0.08 0.00 -0.75 1.48 0.00 0.00 0.00 176.54 177.19 1g61 h SER 4061N 0.00 0.00 0.35 0.19 4.64 -0.93 -3.37 113.55 114.43 1g61 h SER 4061Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g61 h SER 4061Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1g61 h SER 4061CO 0.04 0.68 -1.21 0.18 -0.87 0.00 0.00 176.83 175.65 1g61 n LEU 4062N -3.24 0.56 -3.99 5.97 4.77 -0.80 -0.65 117.00 119.61 1g61 n LEU 4062Ca 0.00 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 1g61 n LEU 4062Cb 0.82 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.76 1g61 n LEU 4062CO 0.43 0.04 -0.22 -0.94 -1.33 0.00 0.00 177.39 175.37 1g61 s SER 4063N -4.06 0.28 0.07 -1.43 1.04 -0.85 -3.55 113.70 105.21 1g61 s SER 4063Ca 0.02 -0.87 -0.10 0.00 0.48 0.00 0.00 55.95 55.48 1g61 s SER 4063Cb 0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1g61 s SER 4063CO 0.83 -0.69 0.21 0.54 0.98 0.00 0.00 173.24 175.11 1g61 s VAL 4064N -3.91 0.12 0.15 5.02 0.11 -1.15 -3.70 120.40 117.05 1g61 s VAL 4064Ca 0.09 -1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 57.91 1g61 s VAL 4064Cb 0.06 -1.16 0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1g61 s VAL 4064CO -0.08 -0.56 0.54 0.00 -3.33 0.00 0.00 175.10 171.66 1g61 s ALA 4065N -3.35 -1.39 0.00 1.54 0.00 -1.26 -0.58 121.76 116.73 1g61 s ALA 4065Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1g61 s ALA 4065Cb 0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1g61 s ALA 4065CO -0.08 -0.73 0.00 0.27 0.00 0.00 0.00 175.76 175.22 1g61 n ASN 4066N -0.33 0.00 0.30 0.00 0.23 -0.50 -4.77 115.26 110.19 1g61 n ASN 4066Ca -0.17 -0.11 0.19 0.00 -0.53 0.00 0.00 54.58 53.97 1g61 n ASN 4066Cb 0.65 0.00 0.95 0.00 -2.08 0.00 0.00 39.78 39.30 1g61 n ASN 4066CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1g61 h LYS 4067N 0.00 0.00 0.00 -3.83 3.64 -1.91 -3.30 116.57 111.17 1g61 h LYS 4067Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1g61 h LYS 4067Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1g61 h LYS 4067CO 0.00 0.02 -1.64 0.66 -2.27 0.00 0.00 179.45 176.22 1g61 n TYR 4068N -3.21 0.00 -3.77 1.91 4.02 -1.26 -4.83 117.16 110.02 1g61 n TYR 4068Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1g61 n TYR 4068Cb 0.18 -0.45 -0.05 0.00 -0.02 0.00 0.00 39.34 38.99 1g61 n TYR 4068CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1g61 s GLY 4069N -4.06 -0.00 -0.10 2.72 0.00 -1.23 -0.82 107.32 103.82 1g61 s GLY 4069Ca -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.29 1g61 s GLY 4069CO 0.41 -0.49 0.00 -2.27 0.00 0.00 0.00 173.10 170.75 1g61 s LEU 4070N -2.87 0.75 -0.17 0.66 2.96 0.00 -1.41 118.68 118.61 1g61 s LEU 4070Ca 0.08 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 1g61 s LEU 4070Cb 0.02 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1g61 s LEU 4070CO -0.07 -0.21 0.07 -0.76 -1.32 0.00 0.00 176.35 174.06 1g61 s LEU 4071N 1.93 3.89 0.11 -0.68 1.43 0.26 -1.16 118.68 124.46 1g61 s LEU 4071Ca 0.04 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1g61 s LEU 4071Cb -0.13 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1g61 s LEU 4071CO -0.06 0.23 -0.21 -0.76 0.23 0.00 0.00 176.35 175.78 1g61 s LEU 4072N 0.06 2.31 0.73 1.79 1.43 -0.53 -2.91 118.68 121.56 1g61 s LEU 4072Ca 0.06 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 1g61 s LEU 4072Cb -0.12 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.28 1g61 s LEU 4072CO 0.01 0.06 1.05 -2.16 0.23 0.00 0.00 176.35 175.53 1g61 s PRO 4073N -1.96 2.10 0.52 1.29 0.04 -1.26 -0.72 135.00 135.01 1g61 s PRO 4073Ca 0.07 -0.21 0.34 0.00 0.04 0.00 0.00 61.00 61.24 1g61 s PRO 4073Cb -0.10 -2.12 1.61 0.00 0.04 0.00 0.00 34.50 33.93 1g61 s PRO 4073CO 0.04 -1.34 2.03 1.57 0.04 0.00 0.00 177.00 179.34 1g61 h LYS 4074N -0.71 0.00 -0.01 4.56 2.10 -1.85 -1.81 116.57 118.85 1g61 h LYS 4074Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1g61 h LYS 4074Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1g61 h LYS 4074CO 0.60 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 178.49 1g61 n ILE 4075N -2.89 0.01 -1.77 0.07 -5.35 -1.26 -4.88 119.36 103.28 1g61 n ILE 4075Ca -0.00 -0.11 -0.41 0.00 -0.27 0.00 0.00 62.75 61.95 1g61 n ILE 4075Cb 0.20 -0.07 -0.00 0.00 -1.74 0.00 0.00 39.64 38.03 1g61 n ILE 4075CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1g61 n VAL 4076N -0.49 1.80 -3.61 7.28 3.14 -0.68 -3.70 118.33 122.07 1g61 n VAL 4076Ca 0.21 -0.45 -0.25 0.00 -2.96 0.00 0.00 64.34 60.90 1g61 n VAL 4076Cb 0.21 -1.96 -0.02 0.00 -1.06 0.00 0.00 33.84 31.01 1g61 n VAL 4076CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1g61 s GLU 4077N -1.77 3.49 0.20 1.45 2.02 -1.26 -4.87 118.70 117.97 1g61 s GLU 4077Ca 0.55 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 55.03 1g61 s GLU 4077Cb -0.48 -2.77 0.17 0.00 0.10 0.00 0.00 34.13 31.14 1g61 s GLU 4077CO 0.61 0.30 1.84 -0.44 0.02 0.00 0.00 175.26 177.58 1g61 h ASP 4078N 1.31 0.66 -0.06 -0.19 5.19 -2.00 -0.93 116.42 120.41 1g61 h ASP 4078Ca -0.49 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.86 1g61 h ASP 4078Cb 1.21 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1g61 h ASP 4078CO 0.64 0.46 -0.10 -0.08 -3.12 0.00 0.00 179.24 177.04 1g61 h GLU 4079N 0.80 0.35 -0.25 3.56 4.81 -1.99 -1.26 114.58 120.60 1g61 h GLU 4079Ca 0.26 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1g61 h GLU 4079Cb 0.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1g61 h GLU 4079CO -0.10 0.46 -0.38 0.93 -0.73 0.00 0.00 179.01 179.19 1g61 h GLU 4080N 0.33 0.69 -0.39 1.92 5.08 -1.66 -0.23 114.58 120.32 1g61 h GLU 4080Ca 0.07 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1g61 h GLU 4080Cb 0.38 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1g61 h GLU 4080CO 0.02 1.03 0.14 1.25 -1.00 0.00 0.00 179.01 180.45 1g61 h LEU 4081N 0.41 0.15 -0.53 1.33 5.85 -1.00 0.03 115.31 121.54 1g61 h LEU 4081Ca 0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1g61 h LEU 4081Cb 0.97 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1g61 h LEU 4081CO 0.09 0.12 0.25 0.44 -0.34 0.00 0.00 178.44 178.99 1g61 h ASP 4082N 0.29 0.70 -0.43 1.25 3.45 -1.16 0.14 116.42 120.67 1g61 h ASP 4082Ca 0.18 -0.14 0.02 0.00 0.43 0.00 0.00 57.03 57.52 1g61 h ASP 4082Cb 0.16 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1g61 h ASP 4082CO -0.18 0.64 0.24 -0.09 -1.57 0.00 0.00 179.24 178.28 1g61 h ARG 4083N 0.71 0.47 -0.29 3.56 2.43 -0.67 0.14 114.38 120.72 1g61 h ARG 4083Ca 0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1g61 h ARG 4083Cb 0.13 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1g61 h ARG 4083CO -0.02 0.31 0.09 0.82 -1.51 0.00 0.00 179.97 179.66 1g61 h ILE 4084N 0.48 1.20 -0.48 1.20 2.04 -0.71 -1.92 117.51 119.33 1g61 h ILE 4084Ca 0.17 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1g61 h ILE 4084Cb 0.04 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1g61 h ILE 4084CO -0.10 0.22 -0.00 0.11 0.00 0.00 0.00 178.15 178.38 1g61 h LYS 4085N 0.31 0.80 -0.27 2.37 1.57 -0.54 -1.09 116.57 119.72 1g61 h LYS 4085Ca 0.09 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1g61 h LYS 4085Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1g61 h LYS 4085CO -0.00 0.81 0.17 -0.97 -0.57 0.00 0.00 179.45 178.89 1g61 h ASN 4086N 0.75 0.31 -0.54 0.86 -0.73 -0.83 -0.82 115.58 114.58 1g61 h ASN 4086Ca 0.14 -0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.34 1g61 h ASN 4086Cb 0.46 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1g61 h ASN 4086CO 0.02 0.24 0.28 0.15 -0.37 0.00 0.00 177.43 177.75 1g61 h PHE 4087N 0.36 0.52 -0.39 0.67 3.57 -0.83 0.28 116.94 121.11 1g61 h PHE 4087Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1g61 h PHE 4087Cb -0.03 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 1g61 h PHE 4087CO -0.06 0.26 0.13 -0.07 -2.23 0.00 0.00 178.31 176.35 1g61 h LEU 4088N 0.55 0.56 -0.17 0.59 3.38 -0.98 -2.67 115.31 116.57 1g61 h LEU 4088Ca 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1g61 h LEU 4088Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1g61 h LEU 4088CO -0.16 0.60 0.10 0.50 0.09 0.00 0.00 178.44 179.57 1g61 h LYS 4089N 0.48 0.24 0.00 1.13 3.64 -0.84 0.11 116.57 121.32 1g61 h LYS 4089Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1g61 h LYS 4089Cb 0.23 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1g61 h LYS 4089CO -0.01 0.23 -0.03 1.05 -2.27 0.00 0.00 179.45 178.43 1g61 h GLU 4090N 0.18 0.00 -0.63 1.90 4.11 -0.87 -0.95 114.58 118.33 1g61 h GLU 4090Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1g61 h GLU 4090Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1g61 h GLU 4090CO -0.01 0.03 0.00 0.09 0.07 0.00 0.00 179.01 179.19 1g61 n ASN 4091N -3.22 4.20 -2.53 3.06 3.02 -0.93 -4.96 115.26 113.90 1g61 n ASN 4091Ca -0.02 -2.25 -0.20 0.00 -0.03 0.00 0.00 54.58 52.09 1g61 n ASN 4091Cb 0.19 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1g61 n ASN 4091CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1g61 n ASN 4092N 1.17 -5.63 -4.58 6.41 3.02 -0.36 -4.99 115.26 110.30 1g61 n ASN 4092Ca 0.23 -0.17 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 1g61 n ASN 4092Cb 0.73 -4.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.26 1g61 n ASN 4092CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g61 s LEU 4093N -5.85 3.72 -0.78 3.41 1.43 0.30 -5.02 118.68 115.89 1g61 s LEU 4093Ca 0.18 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1g61 s LEU 4093Cb -0.08 -1.96 0.20 0.00 0.03 0.00 0.00 46.19 44.38 1g61 s LEU 4093CO 0.22 0.11 0.66 -0.62 0.23 0.00 0.00 176.35 176.94 1g61 s ASP 4094N 0.78 6.05 0.09 2.29 2.15 -1.26 -4.29 116.67 122.48 1g61 s ASP 4094Ca 0.04 -2.98 0.03 0.00 0.43 0.00 0.00 52.55 50.07 1g61 s ASP 4094Cb -0.13 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.43 1g61 s ASP 4094CO 0.02 -0.41 0.08 -0.76 -0.17 0.00 0.00 175.17 173.94 1g61 s LEU 4095N -0.27 3.80 -0.58 -1.34 1.43 -1.26 -4.89 118.68 115.57 1g61 s LEU 4095Ca 0.20 -0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 53.00 1g61 s LEU 4095Cb -0.14 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1g61 s LEU 4095CO -0.07 0.16 1.43 0.20 0.23 0.00 0.00 176.35 178.30 1g61 s ASN 4096N -2.46 6.09 -0.40 2.29 0.01 -0.00 -4.91 114.94 115.57 1g61 s ASN 4096Ca 0.29 0.23 -0.18 0.00 -0.71 0.00 0.00 52.86 52.50 1g61 s ASN 4096Cb -0.12 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1g61 s ASN 4096CO 0.22 -1.75 0.48 -0.69 -1.51 0.00 0.00 177.10 173.84 1g61 s VAL 4097N 6.19 5.04 -0.05 1.60 1.01 -1.26 -0.82 120.40 132.11 1g61 s VAL 4097Ca 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1g61 s VAL 4097Cb -0.11 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1g61 s VAL 4097CO 0.24 -0.36 -0.07 -0.70 0.00 0.00 0.00 175.10 174.22 1g61 s GLU 4098N 2.29 1.06 -0.06 2.72 2.56 -0.31 -4.98 118.70 121.98 1g61 s GLU 4098Ca 0.15 -0.20 -0.27 0.00 0.00 0.00 0.00 54.97 54.65 1g61 s GLU 4098Cb -0.16 -0.98 -0.03 0.00 2.00 0.00 0.00 34.13 34.97 1g61 s GLU 4098CO 0.14 -0.04 0.87 0.42 -0.56 0.00 0.00 175.26 176.09 1g61 s ILE 4099N 0.78 4.92 -0.37 -3.70 1.09 -1.26 -1.45 121.20 121.21 1g61 s ILE 4099Ca -0.12 1.79 -0.12 0.00 -1.10 0.00 0.00 60.65 61.10 1g61 s ILE 4099Cb -0.14 -4.20 0.02 0.00 -1.06 0.00 0.00 42.46 37.08 1g61 s ILE 4099CO 0.01 0.15 0.22 -0.63 -0.10 0.00 0.00 174.94 174.59 1g61 s ILE 4100N 1.23 4.74 -0.26 2.92 -1.09 0.10 -4.92 121.20 123.92 1g61 s ILE 4100Ca 0.45 -0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1g61 s ILE 4100Cb -0.19 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1g61 s ILE 4100CO 0.21 -0.19 2.54 0.29 -1.23 0.00 0.00 174.94 176.56 1g61 n LYS 4101N 5.03 1.91 -2.20 2.79 5.02 -1.26 -3.81 118.16 125.64 1g61 n LYS 4101Ca -0.12 -1.49 -0.34 0.00 -2.02 0.00 0.00 58.31 54.34 1g61 n LYS 4101Cb 0.47 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1g61 n LYS 4101CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1g61 s SER 4102N 0.81 5.78 0.22 4.39 1.04 -1.26 -4.94 113.70 119.73 1g61 s SER 4102Ca 0.42 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.79 1g61 s SER 4102Cb 0.27 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 64.00 1g61 s SER 4102CO -0.07 -1.18 1.83 0.11 0.98 0.00 0.00 173.24 174.91 1g61 h LYS 4103N 0.95 1.17 -6.04 4.02 1.57 -1.95 -3.38 116.57 112.92 1g61 h LYS 4103Ca -0.49 -0.15 -0.60 0.00 -1.87 0.00 0.00 60.65 57.55 1g61 h LYS 4103Cb 1.24 -0.22 -0.10 0.00 0.08 0.00 0.00 32.23 33.23 1g61 h LYS 4103CO 0.57 0.87 0.55 1.21 -0.57 0.00 0.00 179.45 182.08 1g61 s ASN 4104N -6.19 6.61 0.00 0.86 3.84 -1.26 -4.93 114.94 113.87 1g61 s ASN 4104Ca -0.13 0.42 0.30 0.00 0.21 0.00 0.00 52.86 53.65 1g61 s ASN 4104Cb 0.16 -2.45 1.39 0.00 -0.55 0.00 0.00 41.25 39.80 1g61 s ASN 4104CO 0.82 -0.88 1.94 0.35 -2.79 0.00 0.00 177.10 176.54 1g61 n THR 4105N 6.05 0.00 -1.88 -5.21 -2.24 -1.26 -4.53 114.28 105.20 1g61 n THR 4105Ca 0.06 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 1g61 n THR 4105Cb 0.48 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 1g61 n THR 4105CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g61 n ALA 4106N -0.59 6.29 -0.24 6.98 0.00 -1.26 -4.62 120.51 127.07 1g61 n ALA 4106Ca 0.19 -3.99 0.05 0.00 0.00 0.00 0.00 53.44 49.70 1g61 n ALA 4106Cb 0.25 -3.14 0.29 0.00 0.00 0.00 0.00 19.45 16.86 1g61 n ALA 4106CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1g61 h LEU 4107N 7.53 0.79 -1.13 0.00 3.38 -1.53 -0.91 115.31 123.44 1g61 h LEU 4107Ca 0.62 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.55 1g61 h LEU 4107Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1g61 h LEU 4107CO 1.68 0.51 -0.24 1.23 0.09 0.00 0.00 178.44 181.71 1g61 h GLY 4108N 0.90 0.00 2.00 0.83 0.00 -0.96 -1.32 103.07 104.51 1g61 h GLY 4108Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 1g61 h GLY 4108CO -0.12 0.00 -0.19 3.43 0.00 0.00 0.00 176.54 179.65 1g61 h ASN 4109N 0.00 0.00 -0.01 0.19 -0.26 -0.91 -3.35 115.58 111.23 1g61 h ASN 4109Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1g61 h ASN 4109Cb 0.74 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.00 1g61 h ASN 4109CO 0.03 0.19 -0.28 0.18 -1.06 0.00 0.00 177.43 176.50 1g61 n LEU 4110N -3.20 1.75 -3.93 1.61 4.77 -0.68 -0.77 117.00 116.55 1g61 n LEU 4110Ca 0.02 -0.80 -0.17 0.00 -0.03 0.00 0.00 56.01 55.03 1g61 n LEU 4110Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1g61 n LEU 4110CO 0.35 0.33 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.71 1g61 s ILE 4111N -1.81 0.39 -0.17 -0.08 1.01 -0.59 -0.72 121.20 119.23 1g61 s ILE 4111Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.64 1g61 s ILE 4111Cb 0.13 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.25 1g61 s ILE 4111CO 0.37 0.14 -0.18 -0.22 0.00 0.00 0.00 174.94 175.04 1g61 s LEU 4112N 0.20 2.01 0.01 2.97 2.96 -0.23 -3.99 118.68 122.61 1g61 s LEU 4112Ca -0.02 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 1g61 s LEU 4112Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 1g61 s LEU 4112CO -0.00 -0.01 0.05 0.28 -1.32 0.00 0.00 176.35 175.34 1g61 s THR 4113N 1.34 0.09 0.00 3.68 -1.32 -1.26 -0.57 115.64 117.60 1g61 s THR 4113Ca 0.05 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 1g61 s THR 4113Cb -0.13 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1g61 s THR 4113CO -0.12 -0.43 0.00 -0.46 -2.21 0.00 0.00 174.62 171.40 1g61 n ASN 4114N 1.58 0.77 -0.06 8.08 0.23 -0.68 -4.80 115.26 120.39 1g61 n ASN 4114Ca -0.23 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 53.98 1g61 n ASN 4114Cb 0.55 0.00 0.86 0.00 -2.08 0.00 0.00 39.78 39.12 1g61 n ASN 4114CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1g61 n ASP 4115N 0.00 0.19 -0.00 0.53 8.00 -1.26 -4.15 116.55 119.86 1g61 n ASP 4115Ca 0.00 -0.93 -0.01 0.00 0.71 0.00 0.00 54.79 54.57 1g61 n ASP 4115Cb 0.00 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1g61 n ASP 4115CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1g61 n LYS 4116N -0.90 0.72 -3.77 -1.24 4.76 -1.26 -4.87 118.16 111.60 1g61 n LYS 4116Ca 0.22 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1g61 n LYS 4116Cb 0.16 -1.02 -0.07 0.00 -1.84 0.00 0.00 35.03 32.26 1g61 n LYS 4116CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1g61 s GLY 4117N -3.90 -0.07 0.01 0.72 0.00 -1.26 -2.84 107.32 99.98 1g61 s GLY 4117Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1g61 s GLY 4117CO 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 173.10 172.70 1g61 s ALA 4118N -2.97 0.25 -0.13 3.20 0.00 0.25 -1.68 121.76 120.68 1g61 s ALA 4118Ca -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1g61 s ALA 4118Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1g61 s ALA 4118CO -0.06 -0.02 -0.07 -1.17 0.00 0.00 0.00 175.76 174.44 1g61 s LEU 4119N -0.71 3.10 0.09 0.00 2.96 0.26 -1.16 118.68 123.22 1g61 s LEU 4119Ca -0.05 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1g61 s LEU 4119Cb -0.05 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1g61 s LEU 4119CO -0.00 0.21 -0.19 0.27 -1.32 0.00 0.00 176.35 175.32 1g61 s ILE 4120N 0.11 1.53 0.54 6.68 -4.36 0.26 -1.06 121.20 124.89 1g61 s ILE 4120Ca -0.02 -1.44 -0.21 0.00 -0.26 0.00 0.00 60.65 58.72 1g61 s ILE 4120Cb -0.14 -1.40 -0.06 0.00 1.25 0.00 0.00 42.46 42.12 1g61 s ILE 4120CO 0.03 -0.09 1.21 -0.24 0.24 0.00 0.00 174.94 176.10 1g61 n SER 4121N 1.21 2.00 0.23 4.36 2.88 0.10 -0.94 113.62 123.45 1g61 n SER 4121Ca -0.20 0.94 0.18 0.00 -1.33 0.00 0.00 58.87 58.47 1g61 n SER 4121Cb 0.54 -1.50 0.86 0.00 -0.75 0.00 0.00 64.21 63.36 1g61 n SER 4121CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1g61 h PRO 4122N 1.21 0.00 0.00 -1.46 0.11 -1.84 -0.43 132.00 129.58 1g61 h PRO 4122Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1g61 h PRO 4122Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1g61 h PRO 4122CO 0.55 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.83 1g61 h GLU 4123N 0.00 0.00 -0.51 1.05 4.81 -1.92 -2.09 114.58 115.93 1g61 h GLU 4123Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1g61 h GLU 4123Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1g61 h GLU 4123CO -0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1g61 n LEU 4124N -2.38 3.98 0.06 1.64 4.77 -0.17 -4.63 117.00 120.28 1g61 n LEU 4124Ca 0.01 -2.36 0.17 0.00 -0.03 0.00 0.00 56.01 53.81 1g61 n LEU 4124Cb 0.21 -0.46 0.68 0.00 -2.33 0.00 0.00 43.42 41.52 1g61 n LEU 4124CO 0.19 0.79 1.16 0.07 -1.33 0.00 0.00 177.39 178.27 1g61 h LYS 4125N 3.12 0.00 0.00 3.23 2.10 -1.45 -0.81 116.57 122.75 1g61 h LYS 4125Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1g61 h LYS 4125Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1g61 h LYS 4125CO 0.13 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 1g61 n ASP 4126N -4.42 0.00 -0.02 7.07 8.00 -1.26 -2.83 116.55 123.09 1g61 n ASP 4126Ca 0.07 -0.90 0.01 0.00 0.71 0.00 0.00 54.79 54.68 1g61 n ASP 4126Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1g61 n ASP 4126CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1g61 n PHE 4127N -1.00 0.00 -0.10 1.24 3.01 -0.32 -4.85 117.46 115.44 1g61 n PHE 4127Ca 0.21 -0.51 -0.00 0.00 1.01 0.00 0.00 57.45 58.16 1g61 n PHE 4127Cb 0.10 -0.06 0.26 0.00 -0.01 0.00 0.00 39.48 39.77 1g61 n PHE 4127CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1g61 h LYS 4128N 0.00 0.76 -0.28 -1.08 2.10 -1.46 -1.18 116.57 115.43 1g61 h LYS 4128Ca 0.00 -0.11 -0.19 0.00 -2.00 0.00 0.00 60.65 58.35 1g61 h LYS 4128Cb 0.64 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1g61 h LYS 4128CO 0.00 0.62 -0.57 -0.22 -2.00 0.00 0.00 179.45 177.28 1g61 h LYS 4129N 0.75 0.88 -0.33 0.07 3.64 -1.89 -0.63 116.57 119.06 1g61 h LYS 4129Ca 0.18 -0.57 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1g61 h LYS 4129Cb 0.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1g61 h LYS 4129CO -0.02 1.21 -0.13 0.22 -2.27 0.00 0.00 179.45 178.46 1g61 h ASP 4130N 0.66 0.55 -0.36 4.20 -0.00 -1.85 0.61 116.42 120.23 1g61 h ASP 4130Ca 0.01 -0.15 -0.06 0.00 -0.00 0.00 0.00 57.03 56.83 1g61 h ASP 4130Cb 1.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 40.35 1g61 h ASP 4130CO 0.13 0.71 0.01 0.40 -0.00 0.00 0.00 179.24 180.49 1g61 h ILE 4131N 0.52 1.26 -0.31 2.25 2.04 -0.98 0.36 117.51 122.64 1g61 h ILE 4131Ca 0.09 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1g61 h ILE 4131Cb 0.53 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1g61 h ILE 4131CO 0.03 0.32 0.12 -0.08 0.00 0.00 0.00 178.15 178.54 1g61 h GLU 4132N 0.45 0.26 -0.33 2.37 4.81 -0.83 -0.60 114.58 120.72 1g61 h GLU 4132Ca 0.10 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1g61 h GLU 4132Cb 0.44 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1g61 h GLU 4132CO 0.02 0.17 -0.43 -0.44 -0.73 0.00 0.00 179.01 177.60 1g61 h ASP 4133N 0.27 0.90 0.01 1.04 3.32 -0.69 0.93 116.42 122.20 1g61 h ASP 4133Ca 0.14 -0.43 -0.25 0.00 0.02 0.00 0.00 57.03 56.50 1g61 h ASP 4133Cb 0.09 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.40 1g61 h ASP 4133CO -0.12 1.20 -0.99 0.28 -1.72 0.00 0.00 179.24 177.89 1g61 h SER 4134N 0.67 0.86 1.15 6.45 0.02 -0.77 -3.14 113.55 118.78 1g61 h SER 4134Ca 0.05 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1g61 h SER 4134Cb 1.01 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1g61 h SER 4134CO 0.10 1.49 -0.23 0.18 -1.14 0.00 0.00 176.83 177.23 1g61 n LEU 4135N -3.91 0.64 -3.63 5.07 4.77 -0.24 -3.51 117.00 116.19 1g61 n LEU 4135Ca -0.11 0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 1g61 n LEU 4135Cb 0.86 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1g61 n LEU 4135CO 0.55 -0.09 0.15 -3.20 -1.33 0.00 0.00 177.39 173.46 1g61 n ASN 4136N -2.05 -4.31 -4.17 -1.43 4.05 0.31 -4.57 115.26 103.09 1g61 n ASN 4136Ca 0.05 -0.64 -0.11 0.00 0.45 0.00 0.00 54.58 54.33 1g61 n ASN 4136Cb 0.41 -4.72 -0.10 0.00 1.23 0.00 0.00 39.78 36.60 1g61 n ASN 4136CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1g61 s VAL 4137N -3.37 0.21 0.20 3.44 -7.23 -1.14 -4.91 120.40 107.60 1g61 s VAL 4137Ca 0.38 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1g61 s VAL 4137Cb -0.17 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 1g61 s VAL 4137CO 0.76 -0.43 1.31 -0.70 -0.31 0.00 0.00 175.10 175.73 1g61 s GLU 4138N -4.03 4.38 -0.10 4.82 2.12 -1.13 -4.68 118.70 120.08 1g61 s GLU 4138Ca 0.25 2.06 0.02 0.00 0.36 0.00 0.00 54.97 57.66 1g61 s GLU 4138Cb 0.07 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1g61 s GLU 4138CO 0.03 -0.26 -0.17 0.08 -0.54 0.00 0.00 175.26 174.39 1g61 s VAL 4139N 0.16 2.71 0.12 3.70 1.01 -1.26 -0.58 120.40 126.25 1g61 s VAL 4139Ca 0.57 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1g61 s VAL 4139Cb -0.37 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1g61 s VAL 4139CO 0.38 0.55 -0.24 -1.61 0.00 0.00 0.00 175.10 174.18 1g61 s GLU 4140N 0.11 1.56 -0.05 2.72 0.41 -0.31 -4.98 118.70 118.15 1g61 s GLU 4140Ca -0.08 -1.28 -0.15 0.00 -0.41 0.00 0.00 54.97 53.05 1g61 s GLU 4140Cb -0.15 -1.98 -0.05 0.00 -1.78 0.00 0.00 34.13 30.16 1g61 s GLU 4140CO 0.05 0.46 0.40 0.42 -0.49 0.00 0.00 175.26 176.11 1g61 s ILE 4141N -1.09 5.11 -0.24 -1.63 1.01 -1.26 -0.57 121.20 122.52 1g61 s ILE 4141Ca 0.15 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1g61 s ILE 4141Cb -0.10 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1g61 s ILE 4141CO 0.07 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1g61 n GLY 4142N 2.32 -0.92 3.32 6.18 0.00 -0.12 -4.88 105.19 111.09 1g61 n GLY 4142Ca -0.12 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1g61 n GLY 4142CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g61 s THR 4143N -3.00 1.05 -0.17 2.61 -4.23 -1.26 -4.13 115.64 106.51 1g61 s THR 4143Ca 0.00 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1g61 s THR 4143Cb 0.00 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1g61 s THR 4143CO 0.00 -0.36 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.91 1g61 s ILE 4144N -3.41 1.91 -1.56 2.99 -1.09 -0.46 -4.72 121.20 114.87 1g61 s ILE 4144Ca 0.27 -0.88 -0.13 0.00 -2.23 0.00 0.00 60.65 57.68 1g61 s ILE 4144Cb 0.05 -1.76 0.09 0.00 -1.58 0.00 0.00 42.46 39.27 1g61 s ILE 4144CO 0.08 0.48 0.86 0.00 -1.23 0.00 0.00 174.94 175.13 1g61 n ALA 4145N 4.66 -1.39 -0.95 9.38 0.00 -1.26 -0.87 120.51 130.07 1g61 n ALA 4145Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1g61 n ALA 4145Cb 0.50 -3.74 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1g61 n ALA 4145CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1g61 n GLU 4146N -4.54 -0.94 -3.80 0.00 1.02 -1.26 -5.00 120.64 106.12 1g61 n GLU 4146Ca -0.00 0.23 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 1g61 n GLU 4146Cb 0.54 -4.04 -0.08 0.00 -0.02 0.00 0.00 31.44 27.84 1g61 n GLU 4146CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1g61 s LEU 4147N 0.00 4.15 0.23 -4.62 1.43 -0.04 -5.00 118.68 114.82 1g61 s LEU 4147Ca 0.00 0.23 0.25 0.00 -1.03 0.00 0.00 54.13 53.58 1g61 s LEU 4147Cb 0.00 -2.06 0.90 0.00 0.03 0.00 0.00 46.19 45.05 1g61 s LEU 4147CO 0.00 0.20 1.75 -0.81 0.23 0.00 0.00 176.35 177.72 1g61 n PRO 4148N 3.35 0.23 -2.07 1.29 -0.04 -1.26 -1.35 135.00 135.14 1g61 n PRO 4148Ca -0.17 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 1g61 n PRO 4148Cb 0.52 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1g61 n PRO 4148CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g61 n THR 4149N -2.24 3.90 -0.07 0.52 -2.24 -1.26 -4.25 114.28 108.64 1g61 n THR 4149Ca 0.04 -3.72 -0.02 0.00 -2.27 0.00 0.00 64.05 58.08 1g61 n THR 4149Cb 0.33 -2.48 0.23 0.00 -2.10 0.00 0.00 70.33 66.32 1g61 n THR 4149CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1g61 h VAL 4150N 3.96 1.22 -0.12 2.28 -1.51 -1.64 -2.17 116.25 118.26 1g61 h VAL 4150Ca 0.48 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 65.04 1g61 h VAL 4150Cb 0.65 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1g61 h VAL 4150CO 1.74 0.29 -0.31 1.23 -1.23 0.00 0.00 177.57 179.29 1g61 h GLY 4151N 0.91 0.26 2.00 5.19 0.00 -1.08 -2.72 103.07 107.62 1g61 h GLY 4151Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1g61 h GLY 4151CO 0.01 0.20 -0.42 1.76 0.00 0.00 0.00 176.54 178.08 1g61 h SER 4152N 0.21 0.00 -0.36 0.19 0.02 -1.25 -3.35 113.55 109.00 1g61 h SER 4152Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1g61 h SER 4152Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1g61 h SER 4152CO 0.05 0.42 0.00 0.59 -1.14 0.00 0.00 176.83 176.75 1g61 n ASN 4153N -3.68 3.48 -3.59 3.07 3.02 -1.04 -0.90 115.26 115.62 1g61 n ASN 4153Ca -0.01 -2.38 -0.10 0.00 -0.03 0.00 0.00 54.58 52.06 1g61 n ASN 4153Cb 0.51 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 1g61 n ASN 4153CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g61 s ALA 4154N -1.69 -1.31 -0.09 5.41 0.00 -1.12 -1.22 121.76 121.73 1g61 s ALA 4154Ca 0.33 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1g61 s ALA 4154Cb 0.22 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.20 1g61 s ALA 4154CO 0.15 -0.81 -0.17 0.08 0.00 0.00 0.00 175.76 175.01 1g61 s VAL 4155N -3.81 1.56 -0.02 0.00 1.01 0.41 -3.48 120.40 116.08 1g61 s VAL 4155Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1g61 s VAL 4155Cb -0.02 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1g61 s VAL 4155CO -0.07 0.45 -0.12 0.54 0.00 0.00 0.00 175.10 175.90 1g61 s VAL 4156N 0.69 0.99 0.43 2.92 0.11 -1.26 -0.65 120.40 123.62 1g61 s VAL 4156Ca -0.13 -0.52 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1g61 s VAL 4156Cb -0.16 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1g61 s VAL 4156CO 0.03 0.28 0.11 0.42 -3.33 0.00 0.00 175.10 172.62 1g61 s THR 4157N -0.17 0.66 0.53 5.04 -4.23 0.02 -4.77 115.64 112.73 1g61 s THR 4157Ca 0.03 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.78 1g61 s THR 4157Cb -0.06 -2.30 0.31 0.00 1.34 0.00 0.00 72.50 71.79 1g61 s THR 4157CO -0.00 0.00 2.18 0.78 -0.54 0.00 0.00 174.62 177.04 1g61 h ASN 4158N 1.70 0.00 0.00 3.99 2.35 -1.92 -3.27 115.58 118.42 1g61 h ASN 4158Ca -0.36 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.09 1g61 h ASN 4158Cb 1.28 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.60 1g61 h ASN 4158CO 0.59 0.04 -2.10 1.17 -1.65 0.00 0.00 177.43 175.47 1g61 n LYS 4159N -4.01 1.18 -4.09 0.81 4.81 -1.26 -4.50 118.16 111.10 1g61 n LYS 4159Ca -0.03 0.02 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1g61 n LYS 4159Cb 0.12 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 33.72 1g61 n LYS 4159CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1g61 s GLY 4160N -5.21 1.48 -0.24 3.14 0.00 -1.24 -0.83 107.32 104.42 1g61 s GLY 4160Ca -0.13 -1.51 -0.14 0.00 0.00 0.00 0.00 44.72 42.94 1g61 s GLY 4160CO 0.60 -1.00 0.60 0.00 0.00 0.00 0.00 173.10 173.30 1g61 s LEU 4162N 1.48 2.23 0.38 0.00 2.96 0.17 -1.29 118.68 124.61 1g61 s LEU 4162Ca -0.09 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1g61 s LEU 4162Cb -0.06 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1g61 s LEU 4162CO -0.16 0.08 0.19 0.42 -1.32 0.00 0.00 176.35 175.55 1g61 s THR 4163N 0.82 2.62 0.20 3.68 -4.23 -0.27 -0.44 115.64 118.02 1g61 s THR 4163Ca -0.06 -1.66 -0.28 0.00 -1.18 0.00 0.00 61.69 58.51 1g61 s THR 4163Cb -0.15 -2.98 -0.17 0.00 1.34 0.00 0.00 72.50 70.53 1g61 s THR 4163CO -0.01 -0.07 0.54 1.57 -0.54 0.00 0.00 174.62 176.11 1g61 n HIS 4164N -1.24 -0.41 0.27 3.99 -0.00 -0.36 -1.43 115.22 116.04 1g61 n HIS 4164Ca -0.01 0.96 0.12 0.00 0.46 0.00 0.00 57.72 59.25 1g61 n HIS 4164Cb 0.63 -1.97 0.59 0.00 -0.12 0.00 0.00 29.99 29.11 1g61 n HIS 4164CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1g61 h PRO 4165N 1.07 0.00 -0.33 1.57 0.13 -1.81 -2.84 132.00 129.79 1g61 h PRO 4165Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1g61 h PRO 4165Cb 1.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1g61 h PRO 4165CO 0.57 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 1g61 n LEU 4166N -2.33 2.97 -4.77 1.56 4.77 -1.26 -4.82 117.00 113.12 1g61 n LEU 4166Ca 0.00 -1.27 -0.41 0.00 -0.03 0.00 0.00 56.01 54.30 1g61 n LEU 4166Cb 0.13 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1g61 n LEU 4166CO 0.15 0.64 1.08 -0.69 -1.33 0.00 0.00 177.39 177.24 1g61 s VAL 4167N -1.58 2.35 0.53 4.08 1.01 -1.07 -4.80 120.40 120.92 1g61 s VAL 4167Ca 0.37 0.35 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 1g61 s VAL 4167Cb 0.21 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1g61 s VAL 4167CO 0.30 0.08 1.03 -1.61 0.00 0.00 0.00 175.10 174.90 1g61 s GLU 4168N -1.77 3.66 0.24 2.72 2.02 -1.26 -4.88 118.70 119.44 1g61 s GLU 4168Ca 0.52 1.22 -0.06 0.00 0.02 0.00 0.00 54.97 56.67 1g61 s GLU 4168Cb -0.44 -2.08 0.28 0.00 0.10 0.00 0.00 34.13 32.00 1g61 s GLU 4168CO 0.57 -0.53 1.89 -0.44 0.02 0.00 0.00 175.26 176.77 1g61 h ASP 4169N 1.04 0.99 0.27 -0.19 3.32 -1.99 -0.69 116.42 119.17 1g61 h ASP 4169Ca -0.48 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1g61 h ASP 4169Cb 1.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1g61 h ASP 4169CO 0.59 0.68 -0.35 -2.24 -1.72 0.00 0.00 179.24 176.20 1g61 h ASP 4170N 1.16 0.12 0.10 6.45 2.03 -2.00 -2.20 116.42 122.07 1g61 h ASP 4170Ca 0.36 -0.04 -0.14 0.00 -0.73 0.00 0.00 57.03 56.48 1g61 h ASP 4170Cb -0.00 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 1g61 h ASP 4170CO -0.12 0.47 -0.47 -0.08 -1.03 0.00 0.00 179.24 178.01 1g61 h GLU 4171N 0.11 0.44 -0.76 4.15 4.57 -1.70 -2.39 114.58 119.00 1g61 h GLU 4171Ca 0.01 -0.25 0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1g61 h GLU 4171Cb 0.68 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 1g61 h GLU 4171CO 0.05 0.82 0.50 -0.07 -1.18 0.00 0.00 179.01 179.13 1g61 h LEU 4172N 0.35 0.72 -0.67 1.64 4.07 -0.55 -0.15 115.31 120.72 1g61 h LEU 4172Ca 0.02 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1g61 h LEU 4172Cb 0.97 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1g61 h LEU 4172CO 0.08 0.46 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.38 1g61 h GLU 4173N 0.81 0.82 -0.46 1.13 4.39 -1.09 0.12 114.58 120.31 1g61 h GLU 4173Ca 0.32 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1g61 h GLU 4173Cb 0.23 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1g61 h GLU 4173CO -0.11 0.95 0.28 0.35 -1.16 0.00 0.00 179.01 179.32 1g61 h PHE 4174N 0.72 0.52 -0.53 4.33 3.57 -0.82 -1.59 116.94 123.15 1g61 h PHE 4174Ca 0.10 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1g61 h PHE 4174Cb 0.72 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1g61 h PHE 4174CO 0.04 0.31 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.22 1g61 h LEU 4175N 0.56 1.04 -0.75 0.59 3.38 -0.70 -0.29 115.31 119.14 1g61 h LEU 4175Ca 0.18 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1g61 h LEU 4175Cb 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 1g61 h LEU 4175CO -0.08 1.16 0.47 0.50 0.09 0.00 0.00 178.44 180.58 1g61 h LYS 4176N 0.91 0.88 -0.18 1.13 3.64 -0.52 -0.56 116.57 121.87 1g61 h LYS 4176Ca 0.13 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1g61 h LYS 4176Cb 0.71 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1g61 h LYS 4176CO 0.05 0.58 -0.27 1.03 -2.27 0.00 0.00 179.45 178.57 1g61 h SER 4177N 0.90 0.55 -0.54 4.20 0.87 -1.03 -1.16 113.55 117.34 1g61 h SER 4177Ca 0.31 -0.52 0.07 0.00 -1.23 0.00 0.00 61.79 60.41 1g61 h SER 4177Cb 0.05 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.80 1g61 h SER 4177CO -0.12 0.96 0.22 0.25 -0.53 0.00 0.00 176.83 177.61 1g61 h LEU 4178N 0.14 0.27 -0.21 2.23 5.85 -0.74 -2.49 115.31 120.36 1g61 h LEU 4178Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1g61 h LEU 4178Cb 0.85 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1g61 h LEU 4178CO 0.06 0.18 -0.25 0.49 -0.34 0.00 0.00 178.44 178.58 1g61 n PHE 4179N -4.96 0.00 -3.92 1.25 0.99 -0.24 -4.03 117.46 106.55 1g61 n PHE 4179Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.21 1g61 n PHE 4179Cb 0.20 -0.22 0.02 0.00 -1.00 0.00 0.00 39.48 38.48 1g61 n PHE 4179CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1g61 n LYS 4180N -1.09 -5.37 -3.28 -1.08 4.76 -0.47 -4.55 118.16 107.07 1g61 n LYS 4180Ca 0.10 0.59 -0.26 0.00 -2.87 0.00 0.00 58.31 55.87 1g61 n LYS 4180Cb 0.32 -5.44 -0.02 0.00 -1.84 0.00 0.00 35.03 28.05 1g61 n LYS 4180CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1g61 s VAL 4181N -3.34 5.05 -0.25 -0.18 -7.23 -0.99 -4.90 120.40 108.57 1g61 s VAL 4181Ca 0.61 -0.18 0.20 0.00 -1.81 0.00 0.00 61.98 60.80 1g61 s VAL 4181Cb -0.31 -3.81 0.08 0.00 0.56 0.00 0.00 36.38 32.90 1g61 s VAL 4181CO 0.83 -0.49 1.25 -0.33 -0.31 0.00 0.00 175.10 176.05 1g61 h GLU 4182N 1.09 0.00 -4.20 4.82 3.07 -1.22 -3.47 114.58 114.68 1g61 h GLU 4182Ca -0.49 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.15 1g61 h GLU 4182Cb 1.20 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.89 1g61 h GLU 4182CO 0.63 0.18 -0.72 0.71 -1.40 0.00 0.00 179.01 178.42 1g61 s TYR 4183N -3.13 0.40 0.04 4.33 1.51 -0.94 -5.03 117.35 114.52 1g61 s TYR 4183Ca 0.02 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1g61 s TYR 4183Cb 0.08 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1g61 s TYR 4183CO 0.75 -0.12 0.31 -1.50 -1.11 0.00 0.00 175.55 173.88 1g61 s ILE 4184N -1.17 0.08 0.26 2.71 2.07 -1.24 -2.48 121.20 121.43 1g61 s ILE 4184Ca -0.11 -0.65 -0.20 0.00 -1.41 0.00 0.00 60.65 58.29 1g61 s ILE 4184Cb -0.08 -0.89 0.07 0.00 0.13 0.00 0.00 42.46 41.68 1g61 s ILE 4184CO -0.00 -0.36 0.93 -0.83 -1.91 0.00 0.00 174.94 172.77 1g61 s GLY 4185N -1.96 0.19 0.01 1.50 0.00 -0.41 -4.73 107.32 101.93 1g61 s GLY 4185Ca -0.06 -0.48 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 1g61 s GLY 4185CO -0.02 1.20 0.01 -1.59 0.00 0.00 0.00 173.10 172.70 1g61 s LYS 4186N -2.31 0.31 0.00 2.90 -2.85 -1.26 -1.12 119.74 115.42 1g61 s LYS 4186Ca 0.19 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1g61 s LYS 4186Cb -0.04 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1g61 s LYS 4186CO 0.08 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.88 1g61 n GLY 4187N 1.73 -1.38 3.75 0.59 0.00 -0.51 -4.86 105.19 104.51 1g61 n GLY 4187Ca -0.22 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 1g61 n GLY 4187CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g61 s THR 4188N -2.94 2.13 0.23 2.61 -4.23 -1.26 -3.54 115.64 108.64 1g61 s THR 4188Ca 0.00 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1g61 s THR 4188Cb 0.00 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1g61 s THR 4188CO 0.00 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.20 1g61 s ALA 4189N -2.65 1.45 -1.50 3.99 0.00 -0.80 -4.84 121.76 117.42 1g61 s ALA 4189Ca 0.37 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 1g61 s ALA 4189Cb 0.03 1.25 0.07 0.00 0.00 0.00 0.00 23.12 24.47 1g61 s ALA 4189CO 0.21 -0.54 0.80 0.09 0.00 0.00 0.00 175.76 176.32 1g61 n ASN 4190N -0.42 -3.08 -3.09 0.00 5.03 -1.26 -0.60 115.26 111.83 1g61 n ASN 4190Ca 0.01 -0.86 -0.14 0.00 0.87 0.00 0.00 54.58 54.46 1g61 n ASN 4190Cb 0.66 -3.60 0.07 0.00 -1.02 0.00 0.00 39.78 35.89 1g61 n ASN 4190CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1g61 n LYS 4191N -4.51 -4.00 0.00 3.52 4.81 -1.17 -4.03 118.16 112.79 1g61 n LYS 4191Ca -0.08 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1g61 n LYS 4191Cb 0.58 -5.39 0.00 0.00 0.02 0.00 0.00 35.03 30.24 1g61 n LYS 4191CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g61 n GLY 4192N -1.18 0.63 3.70 3.14 0.00 -1.12 -5.07 105.19 105.29 1g61 n GLY 4192Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1g61 n GLY 4192CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g61 s THR 4193N -2.00 3.34 -0.24 2.61 2.01 0.23 -4.82 115.64 116.77 1g61 s THR 4193Ca 0.00 0.88 0.19 0.00 0.31 0.00 0.00 61.69 63.07 1g61 s THR 4193Cb 0.00 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 69.02 1g61 s THR 4193CO 0.00 0.03 1.24 0.71 -0.69 0.00 0.00 174.62 175.92 1g61 h THR 4194N 4.53 0.33 -0.85 -0.82 1.35 -1.91 -2.13 112.91 113.42 1g61 h THR 4194Ca -0.41 -1.53 -0.71 0.00 -0.55 0.00 0.00 66.41 63.21 1g61 h THR 4194Cb 1.20 1.98 -0.09 0.00 -1.73 0.00 0.00 68.15 69.50 1g61 h THR 4194CO 0.89 0.19 2.36 -1.54 -0.25 0.00 0.00 175.52 177.17 1g61 n SER 4195N -2.97 4.65 0.23 5.36 3.41 -1.26 -4.21 113.62 118.82 1g61 n SER 4195Ca -0.01 -2.93 0.09 0.00 -0.26 0.00 0.00 58.87 55.76 1g61 n SER 4195Cb 0.66 -1.65 0.55 0.00 -0.26 0.00 0.00 64.21 63.50 1g61 n SER 4195CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1g61 h VAL 4196N 4.62 0.76 0.00 -3.33 -1.51 -1.73 -0.82 116.25 114.24 1g61 h VAL 4196Ca 0.46 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 1g61 h VAL 4196Cb 0.76 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1g61 h VAL 4196CO 1.60 0.22 -0.10 1.23 -1.23 0.00 0.00 177.57 179.29 1g61 h GLY 4197N 1.25 0.00 2.00 5.19 0.00 -1.05 -0.75 103.07 109.71 1g61 h GLY 4197Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g61 h GLY 4197CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1g61 h ALA 4198N 1.90 1.00 0.00 3.60 0.00 -0.94 -3.35 119.26 121.47 1g61 h ALA 4198Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g61 h ALA 4198Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1g61 h ALA 4198CO 0.01 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.66 1g61 s ILE 4200N -2.08 0.01 -0.01 0.00 1.01 -1.09 -0.58 121.20 118.45 1g61 s ILE 4200Ca 0.03 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.67 1g61 s ILE 4200Cb 0.08 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 1g61 s ILE 4200CO 0.44 -0.05 -0.24 0.27 0.00 0.00 0.00 174.94 175.37 1g61 s ILE 4201N -0.11 1.87 0.02 2.92 -4.36 -0.33 -4.30 121.20 116.90 1g61 s ILE 4201Ca -0.02 -1.03 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 1g61 s ILE 4201Cb -0.02 -1.56 0.03 0.00 1.25 0.00 0.00 42.46 42.17 1g61 s ILE 4201CO 0.00 0.51 0.39 0.00 0.24 0.00 0.00 174.94 176.09 1g61 s ALA 4202N -0.57 -0.97 0.00 2.27 0.00 -1.26 -0.65 121.76 120.58 1g61 s ALA 4202Ca 0.09 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1g61 s ALA 4202Cb -0.09 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1g61 s ALA 4202CO -0.01 -0.40 0.00 0.27 0.00 0.00 0.00 175.76 175.63 1g61 n ASN 4203N 0.73 0.58 0.00 0.00 0.23 -0.41 -4.76 115.26 111.63 1g61 n ASN 4203Ca -0.19 -0.72 0.10 0.00 -0.53 0.00 0.00 54.58 53.23 1g61 n ASN 4203Cb 0.59 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.73 1g61 n ASN 4203CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1g61 n SER 4204N -1.75 0.00 -0.05 0.53 3.41 -1.26 -3.38 113.62 111.12 1g61 n SER 4204Ca 0.00 0.39 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 1g61 n SER 4204Cb 0.00 -0.45 -0.15 0.00 -0.26 0.00 0.00 64.21 63.35 1g61 n SER 4204CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1g61 n LYS 4205N -1.45 0.79 -3.91 4.33 5.02 -1.26 -4.96 118.16 116.73 1g61 n LYS 4205Ca 0.06 -0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1g61 n LYS 4205Cb 0.21 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1g61 n LYS 4205CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1g61 s GLY 4206N -4.72 -0.14 -0.07 0.72 0.00 -1.22 -2.05 107.32 99.84 1g61 s GLY 4206Ca -0.08 0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.59 1g61 s GLY 4206CO 0.78 4.22 0.33 0.00 0.00 0.00 0.00 173.10 178.43 1g61 s ALA 4207N -2.12 -0.83 -0.25 3.20 0.00 -0.31 -1.29 121.76 120.16 1g61 s ALA 4207Ca 0.26 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1g61 s ALA 4207Cb 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1g61 s ALA 4207CO -0.00 -0.21 0.01 0.08 0.00 0.00 0.00 175.76 175.64 1g61 s VAL 4208N -0.56 3.66 0.00 0.00 1.01 0.18 -1.50 120.40 123.19 1g61 s VAL 4208Ca -0.07 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1g61 s VAL 4208Cb -0.04 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1g61 s VAL 4208CO 0.02 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.62 1g61 s VAL 4209N 1.49 3.48 0.45 2.92 1.01 0.60 -1.19 120.40 129.16 1g61 s VAL 4209Ca 0.04 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 1g61 s VAL 4209Cb -0.16 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1g61 s VAL 4209CO -0.00 0.41 1.26 0.61 0.00 0.00 0.00 175.10 177.38 1g61 n GLY 4210N 1.65 0.52 0.26 4.51 0.00 0.25 -0.71 105.19 111.67 1g61 n GLY 4210Ca -0.16 0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1g61 n GLY 4210CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g61 h GLY 4211N 1.90 0.00 1.04 -0.02 0.00 -1.21 -1.04 103.07 103.74 1g61 h GLY 4211Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1g61 h GLY 4211CO 0.59 0.00 -0.06 1.22 0.00 0.00 0.00 176.54 178.29 1g61 n ASP 4212N -2.82 0.31 -4.76 0.19 8.00 -1.26 -4.84 116.55 111.36 1g61 n ASP 4212Ca -0.01 -0.56 -0.41 0.00 0.71 0.00 0.00 54.79 54.52 1g61 n ASP 4212Cb 0.18 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.15 1g61 n ASP 4212CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1g61 s THR 4213N -2.40 2.19 0.63 -3.53 2.01 -0.40 -3.02 115.64 111.12 1g61 s THR 4213Ca 0.32 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.46 1g61 s THR 4213Cb 0.20 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1g61 s THR 4213CO 0.45 0.03 0.91 0.42 -0.69 0.00 0.00 174.62 175.74 1g61 s THR 4214N -0.50 2.70 0.10 -0.82 -4.23 -1.26 -4.86 115.64 106.76 1g61 s THR 4214Ca 0.58 -0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 60.49 1g61 s THR 4214Cb -0.46 -3.10 -0.11 0.00 1.34 0.00 0.00 72.50 70.17 1g61 s THR 4214CO 0.53 -0.09 1.70 1.23 -0.54 0.00 0.00 174.62 177.45 1g61 h GLY 4215N -0.29 -0.16 0.80 3.99 0.00 -1.99 0.30 103.07 105.72 1g61 h GLY 4215Ca -0.44 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.08 1g61 h GLY 4215CO 0.58 -0.10 0.58 -2.55 0.00 0.00 0.00 176.54 175.04 1g61 h PRO 4216N -0.20 0.92 -0.54 4.80 0.11 -2.01 -2.24 132.00 132.83 1g61 h PRO 4216Ca 0.02 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1g61 h PRO 4216Cb 0.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1g61 h PRO 4216CO -0.06 0.61 0.01 0.93 -0.21 0.00 0.00 178.00 179.28 1g61 h GLU 4217N 0.94 0.94 -0.83 1.05 5.08 -1.76 -3.06 114.58 116.95 1g61 h GLU 4217Ca 0.40 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1g61 h GLU 4217Cb 0.30 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1g61 h GLU 4217CO -0.16 0.95 0.37 1.25 -1.00 0.00 0.00 179.01 180.42 1g61 h LEU 4218N 0.82 1.12 -0.76 1.33 6.46 -0.40 -0.30 115.31 123.58 1g61 h LEU 4218Ca 0.15 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1g61 h LEU 4218Cb 0.52 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1g61 h LEU 4218CO 0.03 0.96 0.49 0.25 -0.62 0.00 0.00 178.44 179.54 1g61 h LEU 4219N 1.20 0.82 -0.52 2.25 5.85 -1.33 0.11 115.31 123.68 1g61 h LEU 4219Ca 0.28 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 1g61 h LEU 4219Cb 0.17 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1g61 h LEU 4219CO -0.03 0.57 -0.35 0.40 -0.34 0.00 0.00 178.44 178.69 1g61 h ILE 4220N 0.96 1.28 -0.33 4.05 2.04 -1.33 -1.79 117.51 122.40 1g61 h ILE 4220Ca 0.29 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1g61 h ILE 4220Cb -0.03 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1g61 h ILE 4220CO -0.09 0.50 0.15 0.40 0.00 0.00 0.00 178.15 179.11 1g61 h ILE 4221N 0.68 1.17 -0.36 -0.67 2.04 -0.65 -1.15 117.51 118.56 1g61 h ILE 4221Ca 0.07 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1g61 h ILE 4221Cb 0.91 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1g61 h ILE 4221CO 0.08 0.17 0.18 -0.33 0.00 0.00 0.00 178.15 178.26 1g61 h GLU 4222N 0.39 0.36 -0.45 2.37 5.08 -0.80 -1.05 114.58 120.48 1g61 h GLU 4222Ca 0.11 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1g61 h GLU 4222Cb 0.14 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1g61 h GLU 4222CO -0.01 0.24 0.11 -0.44 -1.00 0.00 0.00 179.01 177.90 1g61 h ASP 4223N 0.37 0.68 -0.06 1.42 3.32 -1.12 -1.08 116.42 119.95 1g61 h ASP 4223Ca 0.15 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1g61 h ASP 4223Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1g61 h ASP 4223CO -0.11 0.74 -0.16 0.00 -1.72 0.00 0.00 179.24 177.98 1g61 h ALA 4224N 0.97 1.28 -0.02 3.45 0.00 -0.93 -3.06 119.26 120.96 1g61 h ALA 4224Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1g61 h ALA 4224Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1g61 h ALA 4224CO 0.00 0.47 -0.26 1.28 0.00 0.00 0.00 179.25 180.74 1g61 n LEU 4225N -4.20 2.07 -0.76 0.00 4.77 -0.42 -1.85 117.00 116.61 1g61 n LEU 4225Ca -0.00 -0.71 -0.08 0.00 -0.03 0.00 0.00 56.01 55.19 1g61 n LEU 4225Cb 0.33 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1g61 n LEU 4225CO 0.40 0.37 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 1g61 n GLY 4226N 1.36 0.47 0.47 -0.72 0.00 -0.50 -4.20 105.19 102.08 1g61 n GLY 4226Ca 0.12 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.58 1g61 n GLY 4226CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36