#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1r s SER 4004N 0.00 -0.72 0.00 3.14 0.15 -1.26 -4.40 113.70 110.61 1y1r s SER 4004Ca 0.00 1.29 0.29 0.00 0.70 0.00 0.00 55.95 58.23 1y1r s SER 4004Cb 0.00 1.31 1.32 0.00 -1.71 0.00 0.00 66.02 66.93 1y1r s SER 4004CO 0.00 -0.22 1.91 0.47 1.20 0.00 0.00 173.24 176.60 1y1r n ASP 4005N 3.10 0.53 -4.32 5.45 8.00 0.40 -4.87 116.55 124.85 1y1r n ASP 4005Ca -0.16 -0.77 -0.20 0.00 0.71 0.00 0.00 54.79 54.37 1y1r n ASP 4005Cb 0.56 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 1y1r n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1y1r s VAL 4006N -2.33 1.69 0.14 2.53 -7.23 -1.22 -5.03 120.40 108.94 1y1r s VAL 4006Ca 0.33 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 1y1r s VAL 4006Cb 0.20 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1y1r s VAL 4006CO 0.44 -0.43 1.65 -0.26 -0.31 0.00 0.00 175.10 176.19 1y1r h PHE 4007N 3.08 0.72 0.00 2.82 0.05 -1.95 -3.39 116.94 118.28 1y1r h PHE 4007Ca -0.40 -0.08 -0.26 0.00 3.82 0.00 0.00 57.97 61.04 1y1r h PHE 4007Cb 1.21 -0.21 -0.04 0.00 2.00 0.00 0.00 35.95 38.91 1y1r h PHE 4007CO 0.69 0.66 -1.83 0.72 -0.18 0.00 0.00 178.31 178.36 1y1r n HIS 4008N -4.54 0.00 -0.05 -0.55 8.25 -1.26 -4.73 115.22 112.34 1y1r n HIS 4008Ca 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.70 1y1r n HIS 4008Cb 0.20 -0.60 0.71 0.00 1.12 0.00 0.00 29.99 31.42 1y1r n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y1r h LEU 4009N -0.64 0.00 -0.04 2.41 3.38 -1.91 -3.45 115.31 115.06 1y1r h LEU 4009Ca -0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 1y1r h LEU 4009Cb 1.31 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.09 1y1r h LEU 4009CO -0.24 0.00 -0.27 0.61 0.09 0.00 0.00 178.44 178.62 1y1r n GLY 4010N -1.65 0.17 3.38 0.83 0.00 -1.26 -4.65 105.19 102.02 1y1r n GLY 4010Ca 0.13 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1y1r n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1r s LEU 4011N -3.33 2.36 0.22 0.99 1.43 -1.26 -4.73 118.68 114.36 1y1r s LEU 4011Ca 0.16 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1y1r s LEU 4011Cb -0.07 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 1y1r s LEU 4011CO 0.19 0.12 0.02 0.42 0.23 0.00 0.00 176.35 177.34 1y1r s THR 4012N -1.36 3.70 0.40 5.49 -4.23 -1.26 -0.45 115.64 117.93 1y1r s THR 4012Ca 0.15 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1y1r s THR 4012Cb -0.09 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.09 1y1r s THR 4012CO 0.07 -0.23 2.04 0.50 -0.54 0.00 0.00 174.62 176.46 1y1r h LYS 4013N 2.27 0.58 0.00 3.99 3.64 -1.96 -0.48 116.57 124.62 1y1r h LYS 4013Ca -0.46 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1y1r h LYS 4013Cb 1.22 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1y1r h LYS 4013CO 0.59 0.40 -0.17 -0.97 -2.27 0.00 0.00 179.45 177.03 1y1r h ASN 4014N 0.59 0.00 -0.16 4.20 -1.24 -1.95 -2.52 115.58 114.51 1y1r h ASN 4014Ca 0.16 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1y1r h ASN 4014Cb -0.05 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.99 1y1r h ASN 4014CO -0.03 0.17 0.07 0.44 -1.29 0.00 0.00 177.43 176.79 1y1r h ASP 4015N 0.00 0.26 1.15 1.15 3.45 -1.48 -2.56 116.42 118.40 1y1r h ASP 4015Ca -0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1y1r h ASP 4015Cb 0.37 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1y1r h ASP 4015CO 0.02 0.26 0.00 0.18 -1.57 0.00 0.00 179.24 178.13 1y1r n LEU 4016N -4.43 0.62 -4.18 1.55 4.32 -0.95 -4.92 117.00 109.01 1y1r n LEU 4016Ca 0.00 0.59 -0.35 0.00 -0.02 0.00 0.00 56.01 56.23 1y1r n LEU 4016Cb 0.13 -0.42 -0.02 0.00 -1.62 0.00 0.00 43.42 41.49 1y1r n LEU 4016CO 0.36 -0.27 -0.03 0.00 -1.22 0.00 0.00 177.39 176.23 1y1r n GLN 4017N -2.12 -3.39 -0.67 3.23 1.13 -0.97 -0.49 117.38 114.11 1y1r n GLN 4017Ca 0.05 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1y1r n GLN 4017Cb 0.35 -5.09 0.00 0.00 0.11 0.00 0.00 30.24 25.61 1y1r n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y1r n GLY 4018N -1.47 0.82 3.65 1.08 0.00 -1.26 -4.67 105.19 103.34 1y1r n GLY 4018Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 1y1r n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1r n ALA 4019N 0.01 0.75 -0.12 4.61 0.00 0.36 -4.88 120.51 121.23 1y1r n ALA 4019Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1y1r n ALA 4019Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1y1r n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y1r n GLN 4020N 2.19 -0.11 -4.52 0.00 6.02 -1.26 -4.21 117.38 115.50 1y1r n GLN 4020Ca 0.13 -0.39 -0.21 0.00 -0.01 0.00 0.00 57.00 56.53 1y1r n GLN 4020Cb 0.29 -0.88 -0.15 0.00 1.02 0.00 0.00 30.24 30.53 1y1r n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1r s LEU 4021N -0.19 2.03 -0.03 1.08 0.20 -1.26 -0.52 118.68 119.99 1y1r s LEU 4021Ca 0.00 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.62 1y1r s LEU 4021Cb 0.00 -0.61 0.00 0.00 -0.43 0.00 0.00 46.19 45.15 1y1r s LEU 4021CO 0.00 0.14 -0.08 0.00 -0.29 0.00 0.00 176.35 176.12 1y1r s ALA 4022N -0.30 0.83 -0.20 5.97 0.00 0.20 -1.88 121.76 126.39 1y1r s ALA 4022Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 1y1r s ALA 4022Cb -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1y1r s ALA 4022CO -0.00 0.12 0.41 0.42 0.00 0.00 0.00 175.76 176.71 1y1r s ILE 4023N 0.25 5.19 -0.49 0.00 1.01 0.70 -1.10 121.20 126.75 1y1r s ILE 4023Ca -0.04 0.74 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1y1r s ILE 4023Cb -0.09 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.77 1y1r s ILE 4023CO 0.00 0.25 0.24 0.68 0.00 0.00 0.00 174.94 176.11 1y1r s VAL 4024N 1.30 2.35 0.79 2.92 -7.23 0.40 -1.46 120.40 119.47 1y1r s VAL 4024Ca 0.20 -3.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.16 1y1r s VAL 4024Cb -0.15 -2.64 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1y1r s VAL 4024CO 0.08 -0.79 1.15 -2.16 -0.31 0.00 0.00 175.10 173.07 1y1r s PRO 4025N -0.06 2.10 -0.05 4.82 0.04 -1.23 -3.63 135.00 137.00 1y1r s PRO 4025Ca 0.16 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 61.40 1y1r s PRO 4025Cb -0.25 -1.95 -0.28 0.00 0.04 0.00 0.00 34.50 32.06 1y1r s PRO 4025CO -0.01 -1.53 0.66 0.78 0.04 0.00 0.00 177.00 176.95 1y1r h GLY 4026N -1.01 0.33 -6.48 0.56 0.00 -1.85 -0.70 103.07 93.92 1y1r h GLY 4026Ca -0.46 -0.84 -0.61 0.00 0.00 0.00 0.00 47.33 45.42 1y1r h GLY 4026CO 0.65 0.73 0.25 -0.35 0.00 0.00 0.00 176.54 177.82 1y1r s ASP 4027N -7.03 6.58 0.65 0.19 3.68 -1.26 -1.16 116.67 118.31 1y1r s ASP 4027Ca -0.14 0.57 0.38 0.00 2.13 0.00 0.00 52.55 55.49 1y1r s ASP 4027Cb 0.06 -2.36 2.08 0.00 -1.45 0.00 0.00 42.92 41.25 1y1r s ASP 4027CO 0.83 -0.51 2.17 1.55 0.13 0.00 0.00 175.17 179.34 1y1r h PRO 4028N 8.10 0.00 0.00 4.34 0.13 -1.88 0.34 132.00 143.03 1y1r h PRO 4028Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1y1r h PRO 4028Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1y1r h PRO 4028CO 0.83 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 1y1r n GLU 4029N -2.96 0.15 0.00 0.86 1.02 -1.26 -3.05 120.64 115.40 1y1r n GLU 4029Ca -0.03 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.40 1y1r n GLU 4029Cb 0.19 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 29.89 1y1r n GLU 4029CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y1r n ARG 4030N -1.96 0.01 0.13 3.49 1.74 0.11 -4.47 116.66 115.71 1y1r n ARG 4030Ca 0.05 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 1y1r n ARG 4030Cb 0.35 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1y1r n ARG 4030CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1y1r h VAL 4031N 0.00 0.55 -0.56 1.55 2.07 -1.60 -0.74 116.25 117.51 1y1r h VAL 4031Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1y1r h VAL 4031Cb 0.51 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1y1r h VAL 4031CO 0.00 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 177.86 1y1r h GLU 4032N -0.41 0.69 -0.83 1.57 4.81 -1.78 -0.32 114.58 118.30 1y1r h GLU 4032Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1y1r h GLU 4032Cb 0.41 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1y1r h GLU 4032CO -0.08 0.45 0.52 0.87 -0.73 0.00 0.00 179.01 180.04 1y1r h LYS 4033N 0.71 1.11 -0.23 1.92 1.57 -1.73 0.51 116.57 120.43 1y1r h LYS 4033Ca 0.22 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1y1r h LYS 4033Cb -0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 1y1r h LYS 4033CO -0.08 0.77 -0.22 0.82 -0.57 0.00 0.00 179.45 180.16 1y1r h ILE 4034N 1.14 1.32 -0.42 1.86 2.04 -0.80 -3.06 117.51 119.59 1y1r h ILE 4034Ca 0.30 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.75 1y1r h ILE 4034Cb -0.08 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1y1r h ILE 4034CO -0.06 0.43 0.15 0.00 0.00 0.00 0.00 178.15 178.67 1y1r h ALA 4035N 0.67 1.47 0.00 1.87 0.00 -0.81 -1.76 119.26 120.71 1y1r h ALA 4035Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y1r h ALA 4035Cb 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y1r h ALA 4035CO 0.06 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1y1r h ALA 4036N 1.57 1.00 -0.01 0.00 0.00 -0.79 -0.34 119.26 120.70 1y1r h ALA 4036Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y1r h ALA 4036Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y1r h ALA 4036CO -0.01 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.51 1y1r n LEU 4037N -2.52 0.67 0.00 0.00 4.77 -0.66 -4.88 117.00 114.38 1y1r n LEU 4037Ca -0.02 -0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.50 1y1r n LEU 4037Cb 0.06 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1y1r n LEU 4037CO 0.13 0.11 -0.18 0.23 -1.33 0.00 0.00 177.39 176.35 1y1r n MET 4038N -0.50 0.92 -3.40 3.23 2.81 -0.14 -5.13 117.12 114.91 1y1r n MET 4038Ca 0.21 -2.97 -0.32 0.00 -1.81 0.00 0.00 57.70 52.81 1y1r n MET 4038Cb 0.23 0.97 -0.05 0.00 -0.71 0.00 0.00 33.22 33.65 1y1r n MET 4038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1y1r s ASP 4039N -3.22 6.63 -1.39 7.83 1.01 -0.06 -4.46 116.67 123.00 1y1r s ASP 4039Ca 0.04 0.93 -0.02 0.00 0.71 0.00 0.00 52.55 54.21 1y1r s ASP 4039Cb 0.00 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.72 1y1r s ASP 4039CO 0.03 -0.08 0.59 0.29 0.21 0.00 0.00 175.17 176.21 1y1r n LYS 4040N -0.17 -4.11 -2.19 8.23 5.02 -1.26 0.93 118.16 124.61 1y1r n LYS 4040Ca 0.01 0.50 -0.42 0.00 -2.02 0.00 0.00 58.31 56.38 1y1r n LYS 4040Cb 0.52 -4.89 -0.03 0.00 -0.02 0.00 0.00 35.03 30.62 1y1r n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y1r s PRO 4041N -6.35 4.27 -0.07 1.97 0.04 -1.26 -4.41 135.00 129.20 1y1r s PRO 4041Ca 0.09 2.00 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1y1r s PRO 4041Cb -0.05 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1y1r s PRO 4041CO 0.86 -0.60 -0.11 0.08 0.04 0.00 0.00 177.00 177.27 1y1r s VAL 4042N 2.47 1.04 0.20 -0.36 1.01 0.43 -4.98 120.40 120.21 1y1r s VAL 4042Ca 0.65 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1y1r s VAL 4042Cb -0.32 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1y1r s VAL 4042CO 0.27 0.34 1.32 -0.75 0.00 0.00 0.00 175.10 176.28 1y1r s LYS 4043N 0.82 4.38 -0.12 2.72 2.20 -1.26 -0.21 119.74 128.26 1y1r s LYS 4043Ca -0.12 2.08 -0.14 0.00 -0.36 0.00 0.00 55.97 57.43 1y1r s LYS 4043Cb -0.15 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1y1r s LYS 4043CO 0.02 -0.27 -0.27 1.28 -0.36 0.00 0.00 175.35 175.74 1y1r n LEU 4044N 2.66 1.69 -3.93 5.43 4.77 -0.30 -4.87 117.00 122.44 1y1r n LEU 4044Ca 0.06 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1y1r n LEU 4044Cb 0.43 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1y1r n LEU 4044CO 0.58 -0.36 0.32 0.00 -1.33 0.00 0.00 177.39 176.60 1y1r s ALA 4045N -2.76 -0.55 -0.29 -1.18 0.00 -1.07 -5.02 121.76 110.90 1y1r s ALA 4045Ca -0.23 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.03 1y1r s ALA 4045Cb 0.03 0.95 0.18 0.00 0.00 0.00 0.00 23.12 24.28 1y1r s ALA 4045CO 0.33 -0.93 0.52 0.45 0.00 0.00 0.00 175.76 176.13 1y1r s SER 4046N -3.01 -0.80 -0.04 0.00 0.15 -1.26 -1.52 113.70 107.22 1y1r s SER 4046Ca 0.18 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1y1r s SER 4046Cb -0.03 1.69 0.03 0.00 -1.71 0.00 0.00 66.02 66.00 1y1r s SER 4046CO 0.10 -0.31 -0.00 -1.00 1.20 0.00 0.00 173.24 173.22 1y1r s HIS 4047N 2.72 0.42 0.00 3.44 3.76 -1.08 -5.00 115.29 119.55 1y1r s HIS 4047Ca 0.12 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1y1r s HIS 4047Cb -0.12 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1y1r s HIS 4047CO -0.25 -0.17 0.00 0.54 -0.85 0.00 0.00 174.74 174.01 1y1r n ARG 4048N 4.30 0.00 -0.39 1.40 1.74 -1.26 -0.84 116.66 121.61 1y1r n ARG 4048Ca -0.23 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.89 1y1r n ARG 4048Cb 0.50 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 32.12 1y1r n ARG 4048CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1y1r n GLU 4049N 9.35 2.69 -3.49 5.56 2.13 -1.26 -4.65 120.64 130.98 1y1r n GLU 4049Ca 0.00 -1.40 -0.41 0.00 0.66 0.00 0.00 57.16 56.01 1y1r n GLU 4049Cb 0.00 -1.81 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 1y1r n GLU 4049CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1y1r s PHE 4050N -1.78 3.91 -0.22 4.31 2.99 -0.02 -3.92 117.98 123.26 1y1r s PHE 4050Ca 0.24 -2.65 -0.10 0.00 0.00 0.00 0.00 56.93 54.43 1y1r s PHE 4050Cb 0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 43.02 39.60 1y1r s PHE 4050CO 0.08 -0.88 0.13 0.99 -0.00 0.00 0.00 175.22 175.54 1y1r s THR 4051N -0.80 5.25 0.02 0.64 2.01 -1.26 -2.63 115.64 118.88 1y1r s THR 4051Ca 0.25 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.44 1y1r s THR 4051Cb -0.11 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1y1r s THR 4051CO -0.09 0.39 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.12 1y1r s SER 4052N 0.79 1.96 0.13 3.53 1.04 -0.57 -1.50 113.70 119.07 1y1r s SER 4052Ca 0.07 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.15 1y1r s SER 4052Cb -0.13 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 1y1r s SER 4052CO 0.02 0.13 -0.14 0.26 0.98 0.00 0.00 173.24 174.49 1y1r s TRP 4053N -0.65 1.40 0.10 5.02 0.52 0.38 -1.15 118.94 124.56 1y1r s TRP 4053Ca 0.05 -0.57 0.08 0.00 0.02 0.00 0.00 56.10 55.67 1y1r s TRP 4053Cb -0.07 -0.73 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1y1r s TRP 4053CO 0.01 0.15 -0.14 0.50 0.02 0.00 0.00 176.95 177.49 1y1r s ARG 4054N -2.82 2.01 0.29 4.98 3.52 0.71 -1.41 118.95 126.23 1y1r s ARG 4054Ca 0.10 -1.06 -0.07 0.00 -0.13 0.00 0.00 55.73 54.57 1y1r s ARG 4054Cb -0.04 -2.23 -0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1y1r s ARG 4054CO 0.03 0.51 0.46 0.00 -0.81 0.00 0.00 175.30 175.48 1y1r s ALA 4055N -1.15 0.35 -0.03 6.12 0.00 0.34 -0.43 121.76 126.97 1y1r s ALA 4055Ca 0.19 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.96 1y1r s ALA 4055Cb -0.11 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 1y1r s ALA 4055CO 0.11 -0.80 -0.20 -2.00 0.00 0.00 0.00 175.76 172.87 1y1r s GLU 4056N -3.50 1.76 -0.09 0.00 2.12 0.26 0.23 118.70 119.49 1y1r s GLU 4056Ca 0.28 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 1y1r s GLU 4056Cb 0.00 -1.64 0.04 0.00 0.26 0.00 0.00 34.13 32.79 1y1r s GLU 4056CO 0.15 0.39 0.05 -1.17 -0.54 0.00 0.00 175.26 174.13 1y1r s LEU 4057N -0.34 0.42 -1.46 2.70 2.96 0.42 -0.88 118.68 122.50 1y1r s LEU 4057Ca 0.04 -0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1y1r s LEU 4057Cb -0.09 -0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.33 1y1r s LEU 4057CO 0.00 -0.26 0.67 0.47 -1.32 0.00 0.00 176.35 175.91 1y1r n ASP 4058N 5.22 -5.40 -0.01 3.68 10.43 -1.26 -1.29 116.55 127.92 1y1r n ASP 4058Ca -0.06 -0.38 -0.00 0.00 2.57 0.00 0.00 54.79 56.92 1y1r n ASP 4058Cb 0.49 -4.36 -0.00 0.00 1.84 0.00 0.00 41.12 39.09 1y1r n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1y1r n GLY 4059N -1.49 0.45 3.38 0.44 0.00 -1.26 -5.03 105.19 101.67 1y1r n GLY 4059Ca -0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1y1r n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1r s LYS 4060N -0.36 2.25 0.24 1.61 1.02 -0.41 -5.09 119.74 119.00 1y1r s LYS 4060Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1y1r s LYS 4060Cb 0.00 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 35.05 1y1r s LYS 4060CO 0.00 0.58 1.35 0.00 -0.92 0.00 0.00 175.35 176.36 1y1r s ALA 4061N -0.67 3.55 0.03 5.17 0.00 -1.26 -0.44 121.76 128.14 1y1r s ALA 4061Ca 0.11 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1y1r s ALA 4061Cb -0.10 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1y1r s ALA 4061CO -0.00 -0.61 -0.09 0.08 0.00 0.00 0.00 175.76 175.13 1y1r s VAL 4062N -0.19 0.69 -0.00 0.00 1.01 0.14 -4.16 120.40 117.89 1y1r s VAL 4062Ca 0.56 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1y1r s VAL 4062Cb -0.39 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1y1r s VAL 4062CO 0.43 -0.13 -0.08 -0.63 0.00 0.00 0.00 175.10 174.69 1y1r s ILE 4063N -0.89 3.59 -0.17 2.22 -1.09 -0.79 -0.50 121.20 123.57 1y1r s ILE 4063Ca -0.03 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1y1r s ILE 4063Cb -0.07 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.30 1y1r s ILE 4063CO 0.01 0.42 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.35 1y1r s VAL 4064N -0.96 1.45 -0.04 2.92 1.01 -0.50 -0.22 120.40 124.06 1y1r s VAL 4064Ca 0.16 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1y1r s VAL 4064Cb -0.11 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.80 1y1r s VAL 4064CO 0.06 0.26 0.02 0.00 0.00 0.00 0.00 175.10 175.44 1y1r s SER 4066N 1.53 5.87 -0.01 0.00 1.04 -0.57 -3.51 113.70 118.05 1y1r s SER 4066Ca -0.03 2.13 0.14 0.00 0.48 0.00 0.00 55.95 58.67 1y1r s SER 4066Cb -0.13 -2.58 -0.20 0.00 0.10 0.00 0.00 66.02 63.22 1y1r s SER 4066CO -0.03 -1.11 0.35 0.35 0.98 0.00 0.00 173.24 173.78 1y1r n THR 4067N -1.19 0.00 -0.74 2.02 -2.24 -0.27 -4.41 114.28 107.45 1y1r n THR 4067Ca 0.11 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1y1r n THR 4067Cb 0.51 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1y1r n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1r n GLY 4068N 1.64 -2.41 3.70 3.38 0.00 -0.31 -3.38 105.19 107.81 1y1r n GLY 4068Ca -0.01 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1y1r n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1r s ILE 4069N -0.79 5.17 0.00 -0.61 1.01 -1.26 -4.72 121.20 120.00 1y1r s ILE 4069Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1y1r s ILE 4069Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1y1r s ILE 4069CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1y1r n GLY 4070N 3.57 1.85 0.37 6.18 0.00 -1.25 -4.58 105.19 111.33 1y1r n GLY 4070Ca -0.07 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.23 1y1r n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y1r h GLY 4071N 0.00 1.53 0.54 -0.02 0.00 -1.84 -1.33 103.07 101.95 1y1r h GLY 4071Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1y1r h GLY 4071CO 0.00 0.31 -0.14 -2.55 0.00 0.00 0.00 176.54 174.16 1y1r h PRO 4072N 1.14 -0.18 -0.40 4.80 0.11 -1.94 0.81 132.00 136.35 1y1r h PRO 4072Ca 0.44 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 1y1r h PRO 4072Cb 0.22 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1y1r h PRO 4072CO -0.19 -0.12 0.11 1.03 -0.21 0.00 0.00 178.00 178.62 1y1r h SER 4073N -0.19 0.59 -0.57 -2.05 0.87 -1.78 -2.89 113.55 107.54 1y1r h SER 4073Ca 0.08 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1y1r h SER 4073Cb 0.30 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1y1r h SER 4073CO -0.20 0.66 0.38 0.74 -0.53 0.00 0.00 176.83 177.87 1y1r h THR 4074N 0.50 1.14 -0.66 2.23 2.02 -0.82 -2.50 112.91 114.81 1y1r h THR 4074Ca 0.13 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.11 1y1r h THR 4074Cb 0.29 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1y1r h THR 4074CO -0.00 0.14 0.44 0.77 0.37 0.00 0.00 175.52 177.24 1y1r h SER 4075N 0.77 0.57 -0.09 4.18 4.64 0.84 -0.36 113.55 124.08 1y1r h SER 4075Ca 0.21 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1y1r h SER 4075Cb -0.08 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1y1r h SER 4075CO -0.05 0.36 -0.14 0.40 -0.87 0.00 0.00 176.83 176.53 1y1r h ILE 4076N 0.64 1.39 -0.02 0.95 2.04 -1.29 -1.82 117.51 119.40 1y1r h ILE 4076Ca 0.29 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1y1r h ILE 4076Cb 0.32 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1y1r h ILE 4076CO -0.09 0.39 -0.02 0.00 0.00 0.00 0.00 178.15 178.43 1y1r h ALA 4077N 0.53 0.01 -0.11 1.87 0.00 -0.98 -1.33 119.26 119.26 1y1r h ALA 4077Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y1r h ALA 4077Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1y1r h ALA 4077CO 0.03 -0.51 0.07 0.28 0.00 0.00 0.00 179.25 179.13 1y1r h VAL 4078N -0.02 1.03 0.14 0.00 2.07 -1.14 -0.63 116.25 117.70 1y1r h VAL 4078Ca 0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1y1r h VAL 4078Cb 0.04 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1y1r h VAL 4078CO -0.03 0.03 -0.13 -0.08 0.02 0.00 0.00 177.57 177.37 1y1r h GLU 4079N 0.14 -0.28 -0.21 1.57 4.57 -1.21 -0.09 114.58 119.08 1y1r h GLU 4079Ca 0.04 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1y1r h GLU 4079Cb -0.01 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1y1r h GLU 4079CO -0.01 -0.19 -0.20 0.93 -1.18 0.00 0.00 179.01 178.37 1y1r h GLU 4080N -0.29 0.37 -0.32 1.92 5.08 -1.20 -0.21 114.58 119.93 1y1r h GLU 4080Ca 0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1y1r h GLU 4080Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1y1r h GLU 4080CO -0.03 0.55 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.18 1y1r h LEU 4081N 0.33 0.67 -0.77 1.33 3.38 -0.89 -2.35 115.31 117.02 1y1r h LEU 4081Ca 0.06 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1y1r h LEU 4081Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1y1r h LEU 4081CO 0.04 0.93 -0.10 0.00 0.09 0.00 0.00 178.44 179.39 1y1r h ALA 4082N 1.12 0.96 0.00 1.53 0.00 -0.36 -1.14 119.26 121.38 1y1r h ALA 4082Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1y1r h ALA 4082Cb 0.78 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y1r h ALA 4082CO 0.06 0.61 -0.16 1.96 0.00 0.00 0.00 179.25 181.72 1y1r h GLN 4083N 0.74 0.00 -0.09 0.00 4.20 -0.75 -1.61 115.11 117.60 1y1r h GLN 4083Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1y1r h GLN 4083Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1y1r h GLN 4083CO 0.04 0.16 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 1y1r n LEU 4084N -4.22 1.71 0.00 1.46 4.77 -0.80 -4.94 117.00 114.98 1y1r n LEU 4084Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1y1r n LEU 4084Cb 0.23 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1y1r n LEU 4084CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1y1r n GLY 4085N 1.18 1.36 3.73 -0.72 0.00 -0.61 -4.87 105.19 105.27 1y1r n GLY 4085Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1y1r n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1r s ILE 4086N -2.07 2.93 -0.02 -0.61 -1.09 -0.50 -4.60 121.20 115.26 1y1r s ILE 4086Ca 0.00 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1y1r s ILE 4086Cb 0.00 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1y1r s ILE 4086CO 0.00 0.09 0.02 0.54 -1.23 0.00 0.00 174.94 174.36 1y1r n ARG 4087N 3.06 4.88 -4.28 2.79 5.12 0.32 -4.18 116.66 124.36 1y1r n ARG 4087Ca 0.09 -0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.77 1y1r n ARG 4087Cb 0.41 -0.66 -0.17 0.00 -1.16 0.00 0.00 32.46 30.88 1y1r n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1y1r s THR 4088N -1.33 0.91 -0.13 0.55 2.01 -0.90 -0.57 115.64 116.18 1y1r s THR 4088Ca 0.00 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1y1r s THR 4088Cb 0.00 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1y1r s THR 4088CO 0.02 0.32 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.70 1y1r s PHE 4089N 1.03 2.52 -0.25 4.92 0.40 0.20 -0.63 117.98 126.17 1y1r s PHE 4089Ca -0.08 -1.24 -0.01 0.00 -0.60 0.00 0.00 56.93 54.99 1y1r s PHE 4089Cb -0.15 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.69 1y1r s PHE 4089CO -0.00 -0.57 -0.06 -0.51 0.70 0.00 0.00 175.22 174.78 1y1r s LEU 4090N 0.81 3.23 0.01 -0.37 1.43 -0.26 -1.36 118.68 122.17 1y1r s LEU 4090Ca -0.08 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 1y1r s LEU 4090Cb -0.16 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 1y1r s LEU 4090CO -0.01 -0.14 0.42 -0.60 0.23 0.00 0.00 176.35 176.25 1y1r s ARG 4091N 1.31 3.91 -0.07 1.70 3.52 -0.43 -0.45 118.95 128.45 1y1r s ARG 4091Ca -0.00 0.40 0.02 0.00 -0.13 0.00 0.00 55.73 56.02 1y1r s ARG 4091Cb -0.17 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1y1r s ARG 4091CO -0.04 0.67 -0.11 -1.50 -0.81 0.00 0.00 175.30 173.51 1y1r s ILE 4092N -1.12 1.08 0.19 4.11 -1.16 -1.24 -2.00 121.20 121.06 1y1r s ILE 4092Ca 0.25 -0.44 -0.02 0.00 -0.51 0.00 0.00 60.65 59.94 1y1r s ILE 4092Cb -0.16 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 41.91 1y1r s ILE 4092CO 0.14 0.34 0.28 0.61 -2.81 0.00 0.00 174.94 173.51 1y1r n GLY 4093N 3.90 2.46 3.81 1.50 0.00 -0.93 -4.13 105.19 111.81 1y1r n GLY 4093Ca -0.23 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 1y1r n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y1r s THR 4094N -2.63 4.40 0.15 2.61 -4.23 -1.26 -0.79 115.64 113.89 1y1r s THR 4094Ca 0.15 -1.39 -0.23 0.00 -1.18 0.00 0.00 61.69 59.04 1y1r s THR 4094Cb -0.01 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.54 1y1r s THR 4094CO 0.11 -0.32 0.62 0.28 -0.54 0.00 0.00 174.62 174.77 1y1r s THR 4095N -2.10 0.00 -0.25 3.99 -1.32 -0.34 -4.81 115.64 110.82 1y1r s THR 4095Ca 0.32 -0.02 -0.05 0.00 -1.21 0.00 0.00 61.69 60.74 1y1r s THR 4095Cb -0.08 -1.02 -0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1y1r s THR 4095CO 0.24 0.00 0.01 -0.83 -2.21 0.00 0.00 174.62 171.83 1y1r s GLY 4096N -2.73 1.68 0.45 6.08 0.00 -1.20 -1.22 107.32 110.38 1y1r s GLY 4096Ca 0.01 -1.28 -0.21 0.00 0.00 0.00 0.00 44.72 43.24 1y1r s GLY 4096CO -0.12 0.52 1.01 0.00 0.00 0.00 0.00 173.10 174.50 1y1r s ALA 4097N 1.49 2.97 0.00 3.20 0.00 -0.58 -1.71 121.76 127.13 1y1r s ALA 4097Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1y1r s ALA 4097Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1y1r s ALA 4097CO -0.01 -0.14 0.88 0.44 0.00 0.00 0.00 175.76 176.93 1y1r n ILE 4098N -0.65 0.77 -4.36 0.00 -5.35 -0.08 -0.42 119.36 109.26 1y1r n ILE 4098Ca 0.08 -0.83 -0.34 0.00 -0.27 0.00 0.00 62.75 61.39 1y1r n ILE 4098Cb 0.52 0.63 -0.12 0.00 -1.74 0.00 0.00 39.64 38.93 1y1r n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1y1r s GLN 4099N -0.77 3.62 0.54 6.28 -1.52 -1.25 -4.76 119.66 121.81 1y1r s GLN 4099Ca 0.00 -0.54 0.21 0.00 -1.95 0.00 0.00 55.36 53.08 1y1r s GLN 4099Cb 0.00 -2.92 1.43 0.00 -0.22 0.00 0.00 33.01 31.31 1y1r s GLN 4099CO 0.00 0.18 2.16 -1.00 -0.25 0.00 0.00 175.29 176.38 1y1r h PRO 4100N 6.90 0.00 0.00 2.91 0.13 -1.96 -2.11 132.00 137.87 1y1r h PRO 4100Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1y1r h PRO 4100Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y1r h PRO 4100CO 0.62 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.00 1y1r n HIS 4101N -4.32 0.00 -3.24 1.56 1.44 -1.26 -4.69 115.22 104.71 1y1r n HIS 4101Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.30 1y1r n HIS 4101Cb 0.15 -0.44 -0.06 0.00 0.12 0.00 0.00 29.99 29.75 1y1r n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1y1r s ILE 4102N -2.89 5.12 0.18 0.61 1.01 -0.79 -5.06 121.20 119.37 1y1r s ILE 4102Ca 0.17 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.87 1y1r s ILE 4102Cb 0.19 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1y1r s ILE 4102CO 0.49 0.22 0.28 0.20 0.00 0.00 0.00 174.94 176.13 1y1r s ASN 4103N 0.97 6.18 0.34 3.58 0.01 -1.26 -4.87 114.94 119.90 1y1r s ASN 4103Ca 0.26 0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 52.21 1y1r s ASN 4103Cb -0.15 -1.81 -0.11 0.00 0.41 0.00 0.00 41.25 39.59 1y1r s ASN 4103CO 0.10 0.02 1.42 -0.69 -1.51 0.00 0.00 177.10 176.44 1y1r s VAL 4104N -1.82 2.37 0.00 1.60 1.01 -1.26 -1.41 120.40 120.89 1y1r s VAL 4104Ca 0.34 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1y1r s VAL 4104Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1y1r s VAL 4104CO 0.28 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1y1r n GLY 4105N 0.86 0.74 3.84 4.51 0.00 0.16 -4.99 105.19 110.30 1y1r n GLY 4105Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1y1r n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y1r s ASP 4106N -2.59 6.58 -0.14 1.61 -0.00 -0.50 -4.76 116.67 116.86 1y1r s ASP 4106Ca 0.00 1.60 -0.05 0.00 -0.00 0.00 0.00 52.55 54.10 1y1r s ASP 4106Cb 0.00 -2.51 -0.03 0.00 -0.00 0.00 0.00 42.92 40.37 1y1r s ASP 4106CO 0.00 -0.62 0.02 -0.69 -0.00 0.00 0.00 175.17 173.88 1y1r s VAL 4107N -2.58 4.46 -0.12 -1.27 1.01 0.20 -1.13 120.40 120.97 1y1r s VAL 4107Ca 0.60 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1y1r s VAL 4107Cb -0.10 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1y1r s VAL 4107CO 0.30 0.52 -0.17 -0.76 0.00 0.00 0.00 175.10 175.00 1y1r s LEU 4108N -0.12 2.47 -0.20 3.92 1.43 -0.15 -0.99 118.68 125.04 1y1r s LEU 4108Ca 0.05 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1y1r s LEU 4108Cb -0.12 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 1y1r s LEU 4108CO 0.02 0.15 -0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1y1r s VAL 4109N 0.41 3.58 -0.17 -1.59 1.01 0.36 -1.39 120.40 122.60 1y1r s VAL 4109Ca -0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1y1r s VAL 4109Cb -0.17 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1y1r s VAL 4109CO 0.06 0.44 0.57 -0.89 0.00 0.00 0.00 175.10 175.28 1y1r s THR 4110N 1.14 5.08 -0.05 3.92 2.01 -0.68 -1.39 115.64 125.67 1y1r s THR 4110Ca 0.02 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 1y1r s THR 4110Cb -0.15 -3.90 -0.27 0.00 0.01 0.00 0.00 72.50 68.20 1y1r s THR 4110CO -0.00 0.19 0.65 0.71 -0.69 0.00 0.00 174.62 175.48 1y1r h THR 4111N 5.02 0.91 -2.77 -0.82 1.35 -1.56 -3.41 112.91 111.65 1y1r h THR 4111Ca -0.35 -2.60 0.05 0.00 -0.55 0.00 0.00 66.41 62.96 1y1r h THR 4111Cb 1.16 2.63 -0.10 0.00 -1.73 0.00 0.00 68.15 70.11 1y1r h THR 4111CO 0.76 0.80 0.31 0.00 -0.25 0.00 0.00 175.52 177.13 1y1r s ALA 4112N -2.59 -1.56 0.07 6.62 0.00 -1.26 -0.77 121.76 122.27 1y1r s ALA 4112Ca -0.13 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1y1r s ALA 4112Cb 0.07 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1y1r s ALA 4112CO 0.82 -0.85 -0.18 -1.12 0.00 0.00 0.00 175.76 174.43 1y1r s SER 4113N -2.76 2.22 -0.14 0.00 0.01 -0.40 -1.96 113.70 110.67 1y1r s SER 4113Ca 0.06 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.43 1y1r s SER 4113Cb -0.02 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1y1r s SER 4113CO -0.05 0.05 1.34 -0.69 0.41 0.00 0.00 173.24 174.30 1y1r s VAL 4114N -1.04 4.14 -1.23 3.43 1.01 0.21 -4.37 120.40 122.55 1y1r s VAL 4114Ca 0.04 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 1y1r s VAL 4114Cb -0.09 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1y1r s VAL 4114CO 0.03 -0.12 1.64 -0.13 0.00 0.00 0.00 175.10 176.53 1y1r s ARG 4115N 3.55 3.90 -0.51 2.72 0.52 -1.26 -1.62 118.95 126.26 1y1r s ARG 4115Ca 0.58 -1.85 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 1y1r s ARG 4115Cb -0.24 -5.46 0.56 0.00 0.52 0.00 0.00 34.95 30.33 1y1r s ARG 4115CO 0.18 -2.21 1.88 1.28 0.02 0.00 0.00 175.30 176.45 1y1r n LEU 4116N 8.28 6.73 0.00 2.53 4.77 -0.73 -4.94 117.00 133.65 1y1r n LEU 4116Ca 0.44 -3.94 -0.28 0.00 -0.03 0.00 0.00 56.01 52.21 1y1r n LEU 4116Cb 0.47 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1y1r n LEU 4116CO 0.73 1.28 -0.20 -0.90 -1.33 0.00 0.00 177.39 176.97 1y1r n ASP 4117N -1.04 2.82 -0.04 -1.43 3.85 -1.21 -1.75 116.55 117.75 1y1r n ASP 4117Ca 0.57 -2.98 -0.04 0.00 -0.71 0.00 0.00 54.79 51.63 1y1r n ASP 4117Cb 1.20 0.45 -0.05 0.00 -1.35 0.00 0.00 41.12 41.37 1y1r n ASP 4117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y1r n GLY 4118N -0.43 -0.25 0.37 6.12 0.00 -1.26 -4.72 105.19 105.01 1y1r n GLY 4118Ca -0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 1y1r n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1r h ALA 4119N 0.21 1.35 -0.58 4.61 0.00 -1.98 -2.35 119.26 120.52 1y1r h ALA 4119Ca -0.18 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.79 1y1r h ALA 4119Cb 1.36 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1y1r h ALA 4119CO -0.00 0.60 0.40 0.66 0.00 0.00 0.00 179.25 180.90 1y1r h SER 4120N 1.22 0.21 0.46 0.00 4.64 -1.85 0.30 113.55 118.53 1y1r h SER 4120Ca 0.33 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1y1r h SER 4120Cb -0.14 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1y1r h SER 4120CO -0.07 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 1y1r n LEU 4121N -4.44 0.00 -0.48 5.97 4.77 -0.88 -1.87 117.00 120.06 1y1r n LEU 4121Ca 0.10 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 1y1r n LEU 4121Cb 0.49 -0.44 0.46 0.00 -2.33 0.00 0.00 43.42 41.60 1y1r n LEU 4121CO 0.35 -0.21 0.81 1.41 -1.33 0.00 0.00 177.39 178.42 1y1r n HIS 4122N -1.44 0.00 0.00 -1.77 8.25 0.11 -4.17 115.22 116.20 1y1r n HIS 4122Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1y1r n HIS 4122Cb 0.16 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1y1r n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1y1r n PHE 4123N 0.14 0.00 -3.66 4.41 3.01 -0.82 -5.09 117.46 115.46 1y1r n PHE 4123Ca 0.17 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.49 1y1r n PHE 4123Cb 0.38 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 1y1r n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1r s ALA 4124N -1.91 -1.33 1.02 4.37 0.00 -0.78 -4.99 121.76 118.14 1y1r s ALA 4124Ca 0.00 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1y1r s ALA 4124Cb 0.00 -0.38 0.20 0.00 0.00 0.00 0.00 23.12 22.94 1y1r s ALA 4124CO 0.00 -0.29 1.09 -1.25 0.00 0.00 0.00 175.76 175.31 1y1r s PRO 4125N -0.57 0.22 0.62 0.00 0.04 -1.26 -4.02 135.00 130.03 1y1r s PRO 4125Ca -0.07 1.21 0.34 0.00 0.04 0.00 0.00 61.00 62.52 1y1r s PRO 4125Cb -0.03 -1.66 1.92 0.00 0.04 0.00 0.00 34.50 34.77 1y1r s PRO 4125CO 0.04 -3.07 2.20 1.98 0.04 0.00 0.00 177.00 178.20 1y1r h MET 4126N -2.17 0.00 -0.04 4.56 4.05 -1.93 -2.11 114.93 117.29 1y1r h MET 4126Ca -0.51 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 58.84 1y1r h MET 4126Cb 1.30 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1y1r h MET 4126CO 0.46 0.00 -0.29 0.93 0.23 0.00 0.00 176.91 178.24 1y1r h GLU 4127N 0.00 0.07 -6.73 0.39 3.07 -2.03 -3.44 114.58 105.92 1y1r h GLU 4127Ca 0.03 -0.02 -0.53 0.00 -0.50 0.00 0.00 59.36 58.34 1y1r h GLU 4127Cb 0.24 -0.01 0.05 0.00 -0.84 0.00 0.00 28.75 28.19 1y1r h GLU 4127CO -0.00 0.35 0.77 0.12 -1.40 0.00 0.00 179.01 178.85 1y1r s PHE 4128N -4.39 3.03 0.13 4.33 2.19 -0.80 -4.98 117.98 117.49 1y1r s PHE 4128Ca -0.04 1.00 -0.30 0.00 0.33 0.00 0.00 56.93 57.92 1y1r s PHE 4128Cb 0.15 -3.82 -0.06 0.00 -1.31 0.00 0.00 43.02 37.97 1y1r s PHE 4128CO 0.73 -2.70 1.01 -1.25 1.83 0.00 0.00 175.22 174.84 1y1r s PRO 4129N -0.23 4.66 -1.43 10.12 0.04 -1.26 -4.93 135.00 141.97 1y1r s PRO 4129Ca 0.60 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 1y1r s PRO 4129Cb -0.42 -3.34 0.06 0.00 0.04 0.00 0.00 34.50 30.84 1y1r s PRO 4129CO 0.42 0.17 2.28 0.00 0.04 0.00 0.00 177.00 179.91 1y1r n ALA 4130N 2.66 5.98 -2.50 8.56 0.00 -1.26 -4.73 120.51 129.22 1y1r n ALA 4130Ca 0.03 -3.95 -0.36 0.00 0.00 0.00 0.00 53.44 49.15 1y1r n ALA 4130Cb 0.48 -3.30 -0.06 0.00 0.00 0.00 0.00 19.45 16.57 1y1r n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1r s VAL 4131N 1.92 5.02 0.65 0.00 0.11 -1.26 -1.28 120.40 125.57 1y1r s VAL 4131Ca 0.50 0.71 -0.11 0.00 -2.93 0.00 0.00 61.98 60.15 1y1r s VAL 4131Cb 0.14 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1y1r s VAL 4131CO -0.06 0.43 1.04 0.00 -3.33 0.00 0.00 175.10 173.18 1y1r s ALA 4132N -1.24 3.03 0.24 1.54 0.00 0.05 -4.66 121.76 120.71 1y1r s ALA 4132Ca 0.29 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.69 1y1r s ALA 4132Cb -0.16 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1y1r s ALA 4132CO 0.16 -0.90 1.13 0.34 0.00 0.00 0.00 175.76 176.49 1y1r s ASP 4133N -4.27 7.21 0.18 0.00 -1.08 0.97 -4.94 116.67 114.73 1y1r s ASP 4133Ca 0.56 2.24 -0.14 0.00 -0.52 0.00 0.00 52.55 54.69 1y1r s ASP 4133Cb -0.11 -2.62 0.09 0.00 -1.46 0.00 0.00 42.92 38.82 1y1r s ASP 4133CO 0.52 -0.23 1.82 0.15 0.52 0.00 0.00 175.17 177.95 1y1r h PHE 4134N 4.44 0.62 -0.59 -5.34 3.57 -1.95 -0.91 116.94 116.78 1y1r h PHE 4134Ca -0.46 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1y1r h PHE 4134Cb 1.21 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1y1r h PHE 4134CO 0.60 0.36 0.16 0.00 -2.23 0.00 0.00 178.31 177.21 1y1r h ALA 4135N 1.22 0.77 -0.57 2.41 0.00 -1.95 -0.28 119.26 120.87 1y1r h ALA 4135Ca 0.21 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1y1r h ALA 4135Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1y1r h ALA 4135CO -0.08 0.46 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1y1r h THR 4137N 0.81 1.25 -0.63 0.00 2.02 -0.97 -1.64 112.91 113.75 1y1r h THR 4137Ca 0.18 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1y1r h THR 4137Cb 0.36 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1y1r h THR 4137CO 0.00 0.35 0.29 0.74 0.37 0.00 0.00 175.52 177.27 1y1r h THR 4138N 0.77 1.22 -0.73 3.16 2.02 -0.86 -1.04 112.91 117.45 1y1r h THR 4138Ca 0.16 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1y1r h THR 4138Cb 0.43 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1y1r h THR 4138CO 0.01 0.26 0.22 0.00 0.37 0.00 0.00 175.52 176.39 1y1r h ALA 4139N 1.12 1.01 -0.42 6.16 0.00 -0.93 -0.16 119.26 126.04 1y1r h ALA 4139Ca 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1y1r h ALA 4139Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1y1r h ALA 4139CO -0.02 0.66 0.05 -0.07 0.00 0.00 0.00 179.25 179.87 1y1r h LEU 4140N 1.09 0.69 -0.45 0.00 3.38 -0.97 0.90 115.31 119.96 1y1r h LEU 4140Ca 0.24 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1y1r h LEU 4140Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1y1r h LEU 4140CO -0.01 0.79 0.02 0.58 0.09 0.00 0.00 178.44 179.91 1y1r h VAL 4141N 0.56 1.26 -0.38 1.22 2.07 -0.99 -1.20 116.25 118.80 1y1r h VAL 4141Ca 0.13 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 1y1r h VAL 4141Cb 0.40 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1y1r h VAL 4141CO 0.01 0.35 -0.16 -0.33 0.02 0.00 0.00 177.57 177.46 1y1r h GLU 4142N 0.63 0.69 -0.23 1.57 4.39 -0.92 -2.76 114.58 117.95 1y1r h GLU 4142Ca 0.13 -0.24 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1y1r h GLU 4142Cb 0.47 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1y1r h GLU 4142CO 0.02 0.82 -0.39 0.00 -1.16 0.00 0.00 179.01 178.30 1y1r h ALA 4143N 1.20 0.90 -0.71 3.43 0.00 -0.66 -2.52 119.26 120.90 1y1r h ALA 4143Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1y1r h ALA 4143Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1y1r h ALA 4143CO 0.04 0.63 0.38 0.00 0.00 0.00 0.00 179.25 180.31 1y1r h ALA 4144N 1.15 1.33 -0.23 0.00 0.00 -0.94 -0.36 119.26 120.21 1y1r h ALA 4144Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y1r h ALA 4144Cb 0.87 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1y1r h ALA 4144CO 0.07 0.54 0.03 0.87 0.00 0.00 0.00 179.25 180.76 1y1r h LYS 4145N 0.99 0.39 0.60 0.00 1.57 -1.26 0.56 116.57 119.42 1y1r h LYS 4145Ca 0.25 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1y1r h LYS 4145Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1y1r h LYS 4145CO -0.04 0.54 -0.43 0.77 -0.57 0.00 0.00 179.45 179.72 1y1r h SER 4146N 0.19 -1.11 -0.41 0.86 0.02 -1.03 -3.01 113.55 109.07 1y1r h SER 4146Ca 0.07 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1y1r h SER 4146Cb 0.34 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1y1r h SER 4146CO 0.01 -0.63 0.17 0.40 -1.14 0.00 0.00 176.83 175.63 1y1r h ILE 4147N -0.99 1.18 -1.28 3.27 1.08 -1.09 -3.49 117.51 116.20 1y1r h ILE 4147Ca -0.07 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 1y1r h ILE 4147Cb 0.82 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1y1r h ILE 4147CO 0.04 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 178.33 1y1r n GLY 4148N -1.11 -1.43 3.61 5.37 0.00 0.18 -5.09 105.19 106.72 1y1r n GLY 4148Ca 0.03 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1y1r n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1r s ALA 4149N 0.00 -2.02 -0.58 4.61 0.00 -1.22 -5.02 121.76 117.53 1y1r s ALA 4149Ca 0.00 1.72 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 1y1r s ALA 4149Cb 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 1y1r s ALA 4149CO 0.00 -0.30 1.63 0.99 0.00 0.00 0.00 175.76 178.09 1y1r s THR 4150N -1.15 3.55 0.01 0.00 2.01 -1.26 -4.88 115.64 113.91 1y1r s THR 4150Ca 0.04 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1y1r s THR 4150Cb -0.01 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1y1r s THR 4150CO -0.03 -1.06 0.08 -0.89 -0.69 0.00 0.00 174.62 172.03 1y1r s THR 4151N 7.43 4.70 -0.04 -0.82 2.01 -1.26 -0.63 115.64 127.03 1y1r s THR 4151Ca 0.60 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1y1r s THR 4151Cb -0.12 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1y1r s THR 4151CO 0.23 0.32 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.40 1y1r s HIS 4152N -1.22 0.98 -0.19 4.92 3.76 -0.16 -4.96 115.29 118.42 1y1r s HIS 4152Ca 0.24 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 1y1r s HIS 4152Cb -0.12 -0.77 0.01 0.00 1.11 0.00 0.00 32.58 32.81 1y1r s HIS 4152CO 0.15 -0.19 -0.13 0.08 -0.85 0.00 0.00 174.74 173.80 1y1r s VAL 4153N 0.66 2.66 -0.08 -0.90 1.01 -1.26 -0.49 120.40 122.00 1y1r s VAL 4153Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1y1r s VAL 4153Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1y1r s VAL 4153CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1y1r n GLY 4154N 4.58 -0.59 3.78 4.51 0.00 -0.49 -4.96 105.19 112.02 1y1r n GLY 4154Ca -0.20 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1y1r n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1r s VAL 4155N -3.13 4.34 0.01 1.61 1.01 -1.26 -1.35 120.40 121.63 1y1r s VAL 4155Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.74 1y1r s VAL 4155Cb 0.00 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1y1r s VAL 4155CO 0.00 0.38 -0.23 -0.89 0.00 0.00 0.00 175.10 174.36 1y1r s THR 4156N -1.32 1.84 -0.30 3.92 2.01 -0.83 -0.91 115.64 120.05 1y1r s THR 4156Ca 0.41 -1.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1y1r s THR 4156Cb -0.21 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1y1r s THR 4156CO 0.25 0.40 0.39 0.00 -0.69 0.00 0.00 174.62 174.97 1y1r s ALA 4157N -0.67 3.53 -0.42 7.40 0.00 0.31 0.63 121.76 132.54 1y1r s ALA 4157Ca 0.09 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1y1r s ALA 4157Cb -0.09 -2.79 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1y1r s ALA 4157CO 0.01 -0.85 0.29 0.45 0.00 0.00 0.00 175.76 175.65 1y1r s SER 4158N 1.68 5.87 -0.07 0.00 0.15 -0.64 -2.05 113.70 118.65 1y1r s SER 4158Ca 0.15 -1.25 -0.07 0.00 0.70 0.00 0.00 55.95 55.48 1y1r s SER 4158Cb -0.16 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1y1r s SER 4158CO 0.11 -0.52 0.19 -0.55 1.20 0.00 0.00 173.24 173.67 1y1r s SER 4159N 2.06 6.45 0.00 5.45 0.15 0.17 -1.77 113.70 126.21 1y1r s SER 4159Ca 0.03 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.46 1y1r s SER 4159Cb -0.22 -2.08 1.47 0.00 -1.71 0.00 0.00 66.02 63.48 1y1r s SER 4159CO 0.06 0.36 1.91 0.47 1.20 0.00 0.00 173.24 177.23 1y1r n ASP 4160N 1.68 0.00 -4.09 5.45 10.43 -0.71 -4.32 116.55 124.98 1y1r n ASP 4160Ca -0.17 -0.52 -0.10 0.00 2.57 0.00 0.00 54.79 56.58 1y1r n ASP 4160Cb 0.54 -0.12 -0.10 0.00 1.84 0.00 0.00 41.12 43.28 1y1r n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1r s THR 4161N -2.24 0.41 -0.13 -3.53 -4.23 -1.26 -5.03 115.64 99.63 1y1r s THR 4161Ca 0.33 -1.54 0.18 0.00 -1.18 0.00 0.00 61.69 59.48 1y1r s THR 4161Cb 0.18 -1.16 -0.14 0.00 1.34 0.00 0.00 72.50 72.72 1y1r s THR 4161CO 0.34 -0.75 0.79 0.33 -0.54 0.00 0.00 174.62 174.80 1y1r n PHE 4162N 0.60 0.89 0.00 3.99 -0.00 -1.26 -4.35 117.46 117.34 1y1r n PHE 4162Ca -0.17 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1y1r n PHE 4162Cb 0.59 -1.05 0.00 0.00 -0.00 0.00 0.00 39.48 39.02 1y1r n PHE 4162CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1y1r n TYR 4163N -2.83 0.00 -0.19 -5.13 4.02 -1.26 -4.45 117.16 107.32 1y1r n TYR 4163Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.78 1y1r n TYR 4163Cb 0.81 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 40.35 1y1r n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y1r h PRO 4164N 0.00 0.94 0.00 -0.72 0.13 -1.88 0.18 132.00 130.65 1y1r h PRO 4164Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1y1r h PRO 4164Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.94 1y1r h PRO 4164CO 0.00 0.70 0.00 0.78 -0.23 0.00 0.00 178.00 179.25 1y1r h GLY 4165N 1.00 0.00 -1.36 1.56 0.00 -1.87 -0.20 103.07 102.20 1y1r h GLY 4165Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 1y1r h GLY 4165CO -0.04 0.00 -0.02 -1.06 0.00 0.00 0.00 176.54 175.42 1y1r n GLN 4166N -2.76 2.37 -4.15 4.80 6.02 -0.88 -4.89 117.38 117.89 1y1r n GLN 4166Ca -0.00 -2.87 -0.37 0.00 -0.01 0.00 0.00 57.00 53.75 1y1r n GLN 4166Cb 0.18 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 29.63 1y1r n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1r n GLU 4167N -0.82 -0.91 -3.64 -1.09 2.13 -0.09 -4.94 120.64 111.28 1y1r n GLU 4167Ca 0.23 0.13 -0.38 0.00 0.66 0.00 0.00 57.16 57.80 1y1r n GLU 4167Cb 0.87 -3.28 -0.06 0.00 0.27 0.00 0.00 31.44 29.24 1y1r n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y1r s ARG 4168N -7.26 3.75 0.00 5.31 0.52 0.59 -4.99 118.95 116.87 1y1r s ARG 4168Ca 0.22 0.20 0.09 0.00 -0.52 0.00 0.00 55.73 55.73 1y1r s ARG 4168Cb -0.12 -3.22 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 1y1r s ARG 4168CO 0.97 0.71 0.41 0.66 0.02 0.00 0.00 175.30 178.07 1y1r n TYR 4169N 1.94 0.00 -0.63 -0.53 4.02 -1.26 -4.39 117.16 116.31 1y1r n TYR 4169Ca -0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.55 1y1r n TYR 4169Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 1y1r n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1y1r n ASP 4170N -1.20 4.14 -4.38 7.72 10.43 -1.26 -4.31 116.55 127.69 1y1r n ASP 4170Ca 0.02 -2.24 -0.21 0.00 2.57 0.00 0.00 54.79 54.93 1y1r n ASP 4170Cb 0.15 -0.98 -0.10 0.00 1.84 0.00 0.00 41.12 42.03 1y1r n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1r s THR 4171N 3.35 0.96 0.15 -3.53 -4.23 -1.26 -5.02 115.64 106.05 1y1r s THR 4171Ca 0.35 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 1y1r s THR 4171Cb 0.10 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.26 1y1r s THR 4171CO -0.03 0.00 1.71 0.22 -0.54 0.00 0.00 174.62 175.99 1y1r h TYR 4172N 2.14 0.01 0.05 3.99 5.03 -1.99 -2.88 116.97 123.32 1y1r h TYR 4172Ca -0.39 0.02 -0.26 0.00 2.58 0.00 0.00 58.73 60.68 1y1r h TYR 4172Cb 1.25 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.55 1y1r h TYR 4172CO 0.66 -0.04 -1.29 0.66 -1.32 0.00 0.00 178.16 176.83 1y1r h SER 4173N 0.11 0.18 0.00 -2.11 4.64 -1.97 -3.47 113.55 110.92 1y1r h SER 4173Ca 0.15 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1y1r h SER 4173Cb 0.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1y1r h SER 4173CO -0.24 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 1y1r n GLY 4174N 1.50 0.42 3.62 -0.77 0.00 -1.09 -5.00 105.19 103.87 1y1r n GLY 4174Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1y1r n GLY 4174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1r s ARG 4175N -0.61 2.26 -0.08 1.61 1.70 -1.26 -4.90 118.95 117.67 1y1r s ARG 4175Ca 0.00 -1.04 0.03 0.00 -0.47 0.00 0.00 55.73 54.25 1y1r s ARG 4175Cb 0.00 -2.34 0.01 0.00 -0.57 0.00 0.00 34.95 32.04 1y1r s ARG 4175CO 0.00 0.49 -0.18 0.08 -1.08 0.00 0.00 175.30 174.61 1y1r s VAL 4176N -1.42 1.58 0.70 4.99 1.01 -1.26 -4.92 120.40 121.08 1y1r s VAL 4176Ca 0.24 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1y1r s VAL 4176Cb -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1y1r s VAL 4176CO 0.16 0.45 1.02 0.55 0.00 0.00 0.00 175.10 177.28 1y1r n VAL 4177N 3.70 3.20 -0.37 2.92 3.14 -1.26 -4.55 118.33 125.12 1y1r n VAL 4177Ca -0.21 -0.40 -0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1y1r n VAL 4177Cb 0.52 -1.16 0.05 0.00 -1.06 0.00 0.00 33.84 32.19 1y1r n VAL 4177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1y1r n ARG 4178N -1.83 -0.21 -0.33 1.45 0.63 -1.26 -1.46 116.66 113.66 1y1r n ARG 4178Ca 0.14 1.47 0.21 0.00 -0.92 0.00 0.00 57.85 58.75 1y1r n ARG 4178Cb 0.49 -2.18 0.47 0.00 0.45 0.00 0.00 32.46 31.69 1y1r n ARG 4178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1y1r h ARG 4179N 0.00 0.44 -0.02 -0.14 2.43 -2.01 -1.83 114.38 113.25 1y1r h ARG 4179Ca 0.34 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1y1r h ARG 4179Cb 0.58 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1y1r h ARG 4179CO -0.95 0.29 -0.40 1.19 -1.51 0.00 0.00 179.97 178.59 1y1r n PHE 4180N -4.69 0.00 -1.96 2.20 3.01 -0.53 -4.72 117.46 110.76 1y1r n PHE 4180Ca 0.26 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.30 1y1r n PHE 4180Cb 0.84 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.28 1y1r n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y1r s LYS 4181N -2.30 4.20 0.00 -1.08 1.02 -0.69 -1.80 119.74 119.09 1y1r s LYS 4181Ca 0.18 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1y1r s LYS 4181Cb 0.17 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1y1r s LYS 4181CO 0.51 -0.77 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 1y1r n GLY 4182N 4.04 0.38 0.24 -3.33 0.00 -1.26 -4.92 105.19 100.35 1y1r n GLY 4182Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1y1r n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1r h SER 4183N 0.00 0.68 -0.84 1.61 4.64 -1.64 -3.19 113.55 114.82 1y1r h SER 4183Ca 0.00 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1y1r h SER 4183Cb 0.27 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1y1r h SER 4183CO 0.00 0.97 0.55 -0.03 -0.87 0.00 0.00 176.83 177.45 1y1r h MET 4184N 0.54 1.08 0.00 4.77 -1.53 -1.91 -0.14 114.93 117.73 1y1r h MET 4184Ca 0.05 -0.06 -0.06 0.00 -3.44 0.00 0.00 59.70 56.19 1y1r h MET 4184Cb 0.87 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.67 1y1r h MET 4184CO 0.08 0.71 -0.27 0.93 0.14 0.00 0.00 176.91 178.50 1y1r h GLU 4185N 1.11 0.00 -0.25 0.39 5.08 -1.98 -0.64 114.58 118.29 1y1r h GLU 4185Ca 0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1y1r h GLU 4185Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1y1r h GLU 4185CO -0.08 0.27 -0.19 0.93 -1.00 0.00 0.00 179.01 178.94 1y1r h GLU 4186N 0.00 0.57 -0.59 2.33 5.08 -1.21 0.29 114.58 121.05 1y1r h GLU 4186Ca -0.00 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 1y1r h GLU 4186Cb 0.83 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1y1r h GLU 4186CO 0.03 0.85 0.07 -1.49 -1.00 0.00 0.00 179.01 177.48 1y1r h TRP 4187N 0.28 1.06 -0.58 4.33 -0.00 -0.87 -2.35 115.95 117.82 1y1r h TRP 4187Ca 0.05 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 1y1r h TRP 4187Cb 0.72 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.57 1y1r h TRP 4187CO 0.07 0.92 0.30 0.37 -0.00 0.00 0.00 178.44 180.10 1y1r h GLN 4188N 0.89 0.81 0.00 0.49 4.15 -0.97 -0.32 115.11 120.16 1y1r h GLN 4188Ca 0.18 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1y1r h GLN 4188Cb 0.45 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1y1r h GLN 4188CO 0.02 0.64 -0.13 0.00 -1.93 0.00 0.00 178.83 177.42 1y1r h ALA 4189N 1.13 1.16 -0.02 3.38 0.00 -0.79 -1.85 119.26 122.27 1y1r h ALA 4189Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y1r h ALA 4189Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y1r h ALA 4189CO -0.03 0.16 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 1y1r n MET 4190N -3.48 1.57 -0.50 0.00 2.81 -0.77 -4.93 117.12 111.82 1y1r n MET 4190Ca -0.01 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 1y1r n MET 4190Cb 0.29 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1y1r n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y1r n GLY 4191N 1.14 0.75 3.72 3.03 0.00 -0.70 -5.03 105.19 108.11 1y1r n GLY 4191Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1y1r n GLY 4191CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y1r n VAL 4192N -2.04 0.69 0.14 1.61 0.31 -0.20 -4.68 118.33 114.15 1y1r n VAL 4192Ca 0.00 -0.17 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 1y1r n VAL 4192Cb 0.00 -1.82 -0.15 0.00 -0.91 0.00 0.00 33.84 30.95 1y1r n VAL 4192CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1y1r h MET 4193N 5.21 0.48 0.00 5.55 0.00 -1.35 -3.41 114.93 121.40 1y1r h MET 4193Ca -0.46 -0.82 0.01 0.00 0.00 0.00 0.00 59.70 58.44 1y1r h MET 4193Cb 1.23 0.31 -0.00 0.00 0.00 0.00 0.00 31.60 33.14 1y1r h MET 4193CO 0.83 1.39 0.27 0.27 0.00 0.00 0.00 176.91 179.67 1y1r n ASN 4194N -3.67 -1.62 -4.28 1.22 6.94 -1.26 -0.90 115.26 111.68 1y1r n ASN 4194Ca -0.15 -2.06 -0.28 0.00 -0.02 0.00 0.00 54.58 52.06 1y1r n ASN 4194Cb 1.09 2.69 -0.15 0.00 -2.36 0.00 0.00 39.78 41.05 1y1r n ASN 4194CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1y1r s TYR 4195N -3.65 2.07 0.37 -2.53 2.02 -0.69 -0.53 117.35 114.39 1y1r s TYR 4195Ca 0.13 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 1y1r s TYR 4195Cb -0.03 -1.28 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1y1r s TYR 4195CO 0.08 0.05 0.84 -1.83 -1.57 0.00 0.00 175.55 173.11 1y1r s GLU 4196N -0.92 2.14 -0.05 -0.62 4.04 -0.87 -3.23 118.70 119.20 1y1r s GLU 4196Ca 0.09 -1.39 0.07 0.00 0.04 0.00 0.00 54.97 53.78 1y1r s GLU 4196Cb -0.09 0.59 0.11 0.00 0.02 0.00 0.00 34.13 34.76 1y1r s GLU 4196CO 0.01 -1.00 0.99 -1.33 -1.84 0.00 0.00 175.26 172.08 1y1r n MET 4197N -0.57 1.15 0.00 -4.83 2.81 -1.26 -0.66 117.12 113.76 1y1r n MET 4197Ca -0.08 -1.66 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 1y1r n MET 4197Cb 0.60 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 1y1r n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y1r n GLU 4198N -0.67 3.01 -0.23 0.03 4.71 -1.26 -3.36 120.64 122.86 1y1r n GLU 4198Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.16 57.25 1y1r n GLU 4198Cb 0.55 -0.67 0.28 0.00 -1.01 0.00 0.00 31.44 30.60 1y1r n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1y1r h SER 4199N 0.00 0.81 -0.08 1.62 4.64 -1.95 -1.28 113.55 117.31 1y1r h SER 4199Ca 0.00 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1y1r h SER 4199Cb 0.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1y1r h SER 4199CO 0.00 0.55 -0.07 0.00 -0.87 0.00 0.00 176.83 176.44 1y1r h ALA 4200N 1.55 -0.01 0.32 5.18 0.00 -1.87 0.17 119.26 124.61 1y1r h ALA 4200Ca 0.32 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1y1r h ALA 4200Cb 0.09 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y1r h ALA 4200CO -0.10 -0.54 -0.15 1.15 0.00 0.00 0.00 179.25 179.61 1y1r h THR 4201N -0.09 0.70 0.05 0.00 2.02 -1.88 -1.79 112.91 111.92 1y1r h THR 4201Ca 0.06 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1y1r h THR 4201Cb 0.17 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1y1r h THR 4201CO -0.13 0.09 -0.32 0.25 0.37 0.00 0.00 175.52 175.78 1y1r h LEU 4202N -0.68 -0.93 -0.38 2.58 5.85 -1.13 -0.70 115.31 119.90 1y1r h LEU 4202Ca -0.04 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1y1r h LEU 4202Cb 0.48 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1y1r h LEU 4202CO 0.07 -0.39 0.24 -0.07 -0.34 0.00 0.00 178.44 177.95 1y1r h LEU 4203N -0.50 0.45 -0.01 2.25 4.07 -0.73 -1.83 115.31 119.01 1y1r h LEU 4203Ca 0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1y1r h LEU 4203Cb 0.56 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1y1r h LEU 4203CO -0.23 0.36 0.00 0.74 -1.08 0.00 0.00 178.44 178.23 1y1r h THR 4204N 0.51 1.21 0.00 0.22 2.02 -1.20 -0.29 112.91 115.37 1y1r h THR 4204Ca 0.14 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1y1r h THR 4204Cb -0.02 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1y1r h THR 4204CO -0.03 0.16 -0.17 0.00 0.37 0.00 0.00 175.52 175.86 1y1r h MET 4205N -0.24 0.00 0.12 6.66 -0.00 -1.08 -1.28 114.93 119.10 1y1r h MET 4205Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.54 1y1r h MET 4205Cb 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 31.88 1y1r h MET 4205CO 0.00 0.17 -0.71 0.00 -0.00 0.00 0.00 176.91 176.36 1y1r h ALA 4207N 0.07 1.65 -0.16 0.00 0.00 -0.90 -0.50 119.26 119.42 1y1r h ALA 4207Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1y1r h ALA 4207Cb 1.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1y1r h ALA 4207CO 0.13 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 1y1r n SER 4208N -4.18 2.72 -0.23 0.00 3.41 -0.50 -4.29 113.62 110.55 1y1r n SER 4208Ca -0.02 -1.88 0.04 0.00 -0.26 0.00 0.00 58.87 56.75 1y1r n SER 4208Cb 0.21 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1y1r n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1r n GLN 4209N 1.06 0.79 -1.91 4.33 6.02 -0.94 -5.01 117.38 121.73 1y1r n GLN 4209Ca 0.17 -1.59 -0.08 0.00 -0.01 0.00 0.00 57.00 55.48 1y1r n GLN 4209Cb 0.52 -0.93 -0.01 0.00 1.02 0.00 0.00 30.24 30.84 1y1r n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1r n GLY 4210N -0.60 0.30 3.49 1.08 0.00 -1.04 -5.02 105.19 103.41 1y1r n GLY 4210Ca 0.06 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1y1r n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1r s LEU 4211N -2.28 2.76 -0.07 0.99 1.43 -0.24 -5.06 118.68 116.20 1y1r s LEU 4211Ca 0.00 -0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1y1r s LEU 4211Cb 0.00 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1y1r s LEU 4211CO 0.00 0.26 0.53 -0.13 0.23 0.00 0.00 176.35 177.25 1y1r s ARG 4212N -1.41 4.32 0.04 1.70 0.52 0.26 -3.94 118.95 120.44 1y1r s ARG 4212Ca 0.15 0.58 0.01 0.00 -0.52 0.00 0.00 55.73 55.95 1y1r s ARG 4212Cb -0.11 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.94 1y1r s ARG 4212CO 0.06 0.24 -0.06 0.00 0.02 0.00 0.00 175.30 175.55 1y1r s ALA 4213N 0.32 0.44 0.11 2.13 0.00 -1.26 0.58 121.76 124.08 1y1r s ALA 4213Ca 0.29 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 1y1r s ALA 4213Cb -0.16 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1y1r s ALA 4213CO 0.13 -0.08 0.29 0.20 0.00 0.00 0.00 175.76 176.31 1y1r s GLY 4214N -1.61 -0.05 -0.14 0.00 0.00 -0.46 -0.02 107.32 105.04 1y1r s GLY 4214Ca -0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 1y1r s GLY 4214CO -0.00 -0.58 0.36 -0.29 0.00 0.00 0.00 173.10 172.59 1y1r s MET 4215N -3.84 0.39 0.10 2.90 1.75 -1.26 -1.31 119.30 118.03 1y1r s MET 4215Ca 0.05 0.60 0.04 0.00 -1.25 0.00 0.00 55.69 55.12 1y1r s MET 4215Cb 0.03 0.09 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1y1r s MET 4215CO -0.11 -0.10 -0.10 0.54 -0.65 0.00 0.00 175.02 174.60 1y1r s VAL 4216N 0.71 0.98 0.02 10.11 0.11 -0.85 -1.69 120.40 129.79 1y1r s VAL 4216Ca -0.04 -1.70 -0.25 0.00 -2.93 0.00 0.00 61.98 57.06 1y1r s VAL 4216Cb -0.05 -1.43 0.06 0.00 -1.53 0.00 0.00 36.38 33.42 1y1r s VAL 4216CO -0.05 -0.58 0.56 0.00 -3.33 0.00 0.00 175.10 171.70 1y1r s ALA 4217N -2.56 -1.45 -0.14 1.54 0.00 -0.49 -2.19 121.76 116.47 1y1r s ALA 4217Ca 0.07 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1y1r s ALA 4217Cb -0.02 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1y1r s ALA 4217CO 0.00 -0.47 0.15 0.20 0.00 0.00 0.00 175.76 175.64 1y1r s GLY 4218N -1.76 2.14 -0.18 0.00 0.00 0.03 -0.98 107.32 106.58 1y1r s GLY 4218Ca -0.07 -0.64 -0.29 0.00 0.00 0.00 0.00 44.72 43.72 1y1r s GLY 4218CO 0.01 -0.23 1.10 0.14 0.00 0.00 0.00 173.10 174.12 1y1r s VAL 4219N -0.69 4.56 -0.50 1.40 1.01 -0.28 -1.20 120.40 124.70 1y1r s VAL 4219Ca 0.14 1.87 0.08 0.00 0.00 0.00 0.00 61.98 64.07 1y1r s VAL 4219Cb -0.12 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.27 1y1r s VAL 4219CO 0.03 -0.12 1.17 2.30 0.00 0.00 0.00 175.10 178.48 1y1r n ILE 4220N 5.14 1.14 0.00 2.22 -5.35 -0.36 -0.66 119.36 121.49 1y1r n ILE 4220Ca 0.12 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1y1r n ILE 4220Cb 0.46 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1y1r n ILE 4220CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1y1r n VAL 4221N -0.02 0.00 -4.10 7.28 3.14 -1.25 -5.02 118.33 118.36 1y1r n VAL 4221Ca 0.08 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.14 1y1r n VAL 4221Cb 0.41 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.03 1y1r n VAL 4221CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1y1r s ASN 4222N 0.00 3.53 0.61 6.55 3.84 -1.26 -1.52 114.94 126.69 1y1r s ASN 4222Ca 0.00 -0.88 0.37 0.00 0.21 0.00 0.00 52.86 52.56 1y1r s ASN 4222Cb 0.00 -1.49 2.03 0.00 -0.55 0.00 0.00 41.25 41.24 1y1r s ASN 4222CO 0.00 -0.06 2.27 0.03 -2.79 0.00 0.00 177.10 176.54 1y1r h ARG 4223N 7.89 0.00 0.00 0.43 2.47 -0.80 0.99 114.38 125.36 1y1r h ARG 4223Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1y1r h ARG 4223Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1y1r h ARG 4223CO 0.58 0.02 0.00 0.25 0.56 0.00 0.00 179.97 181.37 1y1r n THR 4224N -3.39 0.12 0.00 2.04 -2.24 -1.26 -3.68 114.28 105.87 1y1r n THR 4224Ca -0.03 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1y1r n THR 4224Cb 0.12 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1y1r n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y1r n GLN 4225N -1.12 0.00 -3.83 -0.78 6.02 0.14 -5.07 117.38 112.74 1y1r n GLN 4225Ca 0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1y1r n GLN 4225Cb 0.12 -0.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.85 1y1r n GLN 4225CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1y1r s GLN 4226N -2.00 0.98 -1.38 -1.09 -2.07 -0.04 -5.07 119.66 108.99 1y1r s GLN 4226Ca 0.00 -0.95 -0.08 0.00 -1.82 0.00 0.00 55.36 52.51 1y1r s GLN 4226Cb 0.00 0.38 0.09 0.00 -1.09 0.00 0.00 33.01 32.39 1y1r s GLN 4226CO 0.00 -0.35 2.36 0.39 -1.32 0.00 0.00 175.29 176.37 1y1r n GLU 4227N -0.14 4.09 -0.08 9.60 1.02 -1.26 -3.62 120.64 130.26 1y1r n GLU 4227Ca -0.13 -3.20 -0.07 0.00 -0.02 0.00 0.00 57.16 53.73 1y1r n GLU 4227Cb 0.63 -2.77 -0.12 0.00 -0.02 0.00 0.00 31.44 29.15 1y1r n GLU 4227CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1y1r n SER 4239N 2.85 1.17 0.34 1.62 2.88 -1.26 -4.96 113.62 116.26 1y1r n SER 4239Ca 0.59 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.96 1y1r n SER 4239Cb 0.28 0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 64.55 1y1r n SER 4239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1y1r h HIS 4240N 0.00 -0.83 -0.69 0.66 -0.00 -1.95 0.94 115.15 113.28 1y1r h HIS 4240Ca -0.42 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.09 1y1r h HIS 4240Cb 1.94 0.28 -0.12 0.00 -0.00 0.00 0.00 27.41 29.52 1y1r h HIS 4240CO 0.00 -0.50 0.02 0.00 -0.00 0.00 0.00 177.93 177.44 1y1r h ALA 4241N -0.48 0.71 -0.34 2.45 0.00 -1.95 0.38 119.26 120.03 1y1r h ALA 4241Ca -0.08 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1y1r h ALA 4241Cb 0.67 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1y1r h ALA 4241CO 0.12 -0.40 0.15 0.28 0.00 0.00 0.00 179.25 179.39 1y1r h VAL 4242N 0.12 1.18 -0.19 0.00 2.07 -1.89 -1.07 116.25 116.47 1y1r h VAL 4242Ca 0.37 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1y1r h VAL 4242Cb 0.62 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1y1r h VAL 4242CO -0.58 0.19 -0.14 0.11 0.02 0.00 0.00 177.57 177.17 1y1r h LYS 4243N 0.40 0.30 -0.25 1.57 1.57 0.63 -2.80 116.57 118.00 1y1r h LYS 4243Ca 0.11 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1y1r h LYS 4243Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1y1r h LYS 4243CO -0.01 0.45 -0.17 0.82 -0.57 0.00 0.00 179.45 179.97 1y1r h ILE 4244N 0.29 1.31 -0.16 1.86 2.04 0.11 -1.75 117.51 121.20 1y1r h ILE 4244Ca 0.06 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 1y1r h ILE 4244Cb 0.42 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1y1r h ILE 4244CO 0.02 0.40 -0.18 1.62 0.00 0.00 0.00 178.15 180.01 1y1r h VAL 4245N 0.27 1.21 -0.10 1.67 3.04 -1.06 0.20 116.25 121.48 1y1r h VAL 4245Ca 0.05 -0.97 -0.08 0.00 -1.01 0.00 0.00 66.70 64.70 1y1r h VAL 4245Cb 0.70 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1y1r h VAL 4245CO 0.05 0.30 -0.24 0.58 -1.01 0.00 0.00 177.57 177.25 1y1r h VAL 4246N 0.25 1.40 -0.38 1.51 2.07 -1.47 -1.02 116.25 118.62 1y1r h VAL 4246Ca 0.05 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1y1r h VAL 4246Cb 0.48 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1y1r h VAL 4246CO 0.03 0.45 0.00 -0.08 0.02 0.00 0.00 177.57 177.99 1y1r h GLU 4247N -0.13 0.59 -0.47 1.57 4.57 -1.08 -1.65 114.58 117.98 1y1r h GLU 4247Ca -0.00 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 1y1r h GLU 4247Cb 0.84 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1y1r h GLU 4247CO 0.05 0.61 -0.24 0.00 -1.18 0.00 0.00 179.01 178.25 1y1r h ALA 4248N 1.45 0.68 -0.77 2.92 0.00 -0.53 -2.68 119.26 120.33 1y1r h ALA 4248Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1y1r h ALA 4248Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1y1r h ALA 4248CO 0.01 0.68 0.51 0.00 0.00 0.00 0.00 179.25 180.45 1y1r h ALA 4249N 0.86 0.98 -0.84 0.00 0.00 -0.78 -1.67 119.26 117.82 1y1r h ALA 4249Ca 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.10 1y1r h ALA 4249Cb 0.83 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1y1r h ALA 4249CO 0.07 0.38 0.44 -0.09 0.00 0.00 0.00 179.25 180.06 1y1r h ARG 4250N 1.04 0.64 0.00 0.00 2.43 -1.02 0.79 114.38 118.25 1y1r h ARG 4250Ca 0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1y1r h ARG 4250Cb -0.11 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1y1r h ARG 4250CO -0.06 0.42 0.00 0.54 -1.51 0.00 0.00 179.97 179.36 1y1r n ARG 4251N -4.85 0.11 0.00 0.20 1.74 -0.67 -3.63 116.66 109.57 1y1r n ARG 4251Ca 0.16 0.22 0.06 0.00 -0.77 0.00 0.00 57.85 57.52 1y1r n ARG 4251Cb 0.40 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1y1r n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y1r n LEU 4252N -1.86 1.01 0.00 0.55 4.77 0.19 -5.05 117.00 116.60 1y1r n LEU 4252Ca 0.05 -0.65 0.02 0.00 -0.03 0.00 0.00 56.01 55.39 1y1r n LEU 4252Cb 0.29 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1y1r n LEU 4252CO 0.23 0.21 0.33 0.18 -1.33 0.00 0.00 177.39 177.01