#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y1q n ASP 4005N 0.00 1.40 -4.27 -3.46 8.00 -0.24 -4.91 116.55 113.06 1y1q n ASP 4005Ca 0.00 -1.14 -0.23 0.00 0.71 0.00 0.00 54.79 54.14 1y1q n ASP 4005Cb 0.00 0.23 -0.12 0.00 -0.02 0.00 0.00 41.12 41.21 1y1q n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1y1q s VAL 4006N -2.46 1.62 -1.57 2.53 -7.23 -1.24 -5.04 120.40 107.01 1y1q s VAL 4006Ca 0.23 -1.56 0.20 0.00 -1.81 0.00 0.00 61.98 59.05 1y1q s VAL 4006Cb 0.19 -1.51 0.41 0.00 0.56 0.00 0.00 36.38 36.03 1y1q s VAL 4006CO 0.52 -0.13 1.64 0.49 -0.31 0.00 0.00 175.10 177.31 1y1q n PHE 4007N 1.00 0.00 0.01 2.82 3.01 -1.26 -4.26 117.46 118.78 1y1q n PHE 4007Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1y1q n PHE 4007Cb 0.54 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1y1q n PHE 4007CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1y1q n HIS 4008N -1.22 -0.12 0.27 1.38 8.25 -1.26 -4.90 115.22 117.62 1y1q n HIS 4008Ca 0.11 0.02 0.13 0.00 -0.26 0.00 0.00 57.72 57.72 1y1q n HIS 4008Cb 0.14 0.37 0.74 0.00 1.12 0.00 0.00 29.99 32.36 1y1q n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y1q h LEU 4009N 0.00 0.00 1.11 2.41 3.38 -1.92 -3.45 115.31 116.85 1y1q h LEU 4009Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1y1q h LEU 4009Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1y1q h LEU 4009CO 0.00 0.10 -0.23 0.61 0.09 0.00 0.00 178.44 179.01 1y1q n GLY 4010N -0.80 0.02 3.45 0.83 0.00 -1.26 -4.70 105.19 102.73 1y1q n GLY 4010Ca -0.02 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1y1q n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1q s LEU 4011N -2.65 2.51 0.37 0.99 1.43 -1.26 -4.81 118.68 115.25 1y1q s LEU 4011Ca 0.02 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1y1q s LEU 4011Cb -0.01 -1.19 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 1y1q s LEU 4011CO 0.02 0.10 0.05 0.42 0.23 0.00 0.00 176.35 177.17 1y1q s THR 4012N -1.87 2.46 0.40 5.49 -4.23 -1.26 -1.08 115.64 115.55 1y1q s THR 4012Ca 0.23 -1.91 0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1y1q s THR 4012Cb -0.07 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1y1q s THR 4012CO 0.11 -0.12 1.92 0.11 -0.54 0.00 0.00 174.62 176.10 1y1q h LYS 4013N 1.71 0.09 0.00 3.99 1.57 -1.97 -2.27 116.57 119.69 1y1q h LYS 4013Ca -0.43 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1y1q h LYS 4013Cb 1.25 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1y1q h LYS 4013CO 0.70 0.31 -0.13 -0.97 -0.57 0.00 0.00 179.45 178.78 1y1q h ASN 4014N 0.09 0.00 0.66 0.86 -1.24 -1.95 -1.13 115.58 112.87 1y1q h ASN 4014Ca 0.02 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1y1q h ASN 4014Cb 0.43 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 1y1q h ASN 4014CO 0.03 0.13 -0.11 0.44 -1.29 0.00 0.00 177.43 176.63 1y1q h ASP 4015N 0.00 0.00 0.90 1.15 3.45 -1.80 -2.86 116.42 117.27 1y1q h ASP 4015Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1y1q h ASP 4015Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1y1q h ASP 4015CO 0.02 0.11 -0.83 -0.07 -1.57 0.00 0.00 179.24 176.90 1y1q h LEU 4016N 0.00 0.00 -2.25 1.55 3.38 -1.30 -3.47 115.31 113.22 1y1q h LEU 4016Ca -0.00 -0.13 -0.46 0.00 0.09 0.00 0.00 57.88 57.37 1y1q h LEU 4016Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1y1q h LEU 4016CO 0.01 0.06 -0.89 0.00 0.09 0.00 0.00 178.44 177.72 1y1q n GLN 4017N -2.37 -3.03 -1.12 1.13 6.02 -1.08 -1.33 117.38 115.59 1y1q n GLN 4017Ca 0.02 0.46 -0.04 0.00 -0.01 0.00 0.00 57.00 57.43 1y1q n GLN 4017Cb 0.49 -4.54 -0.02 0.00 1.02 0.00 0.00 30.24 27.19 1y1q n GLN 4017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1q n GLY 4018N -1.82 0.65 3.76 1.08 0.00 -1.26 -4.62 105.19 102.99 1y1q n GLY 4018Ca -0.25 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1y1q n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1q s ALA 4019N -1.92 3.12 0.00 4.61 0.00 -0.44 -4.83 121.76 122.30 1y1q s ALA 4019Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1y1q s ALA 4019Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1y1q s ALA 4019CO 0.00 -0.89 0.18 1.04 0.00 0.00 0.00 175.76 176.09 1y1q n GLN 4020N -0.21 1.15 -4.73 0.00 6.02 -1.26 -4.21 117.38 114.15 1y1q n GLN 4020Ca 0.06 -0.18 -0.24 0.00 -0.01 0.00 0.00 57.00 56.63 1y1q n GLN 4020Cb 0.45 -0.60 -0.16 0.00 1.02 0.00 0.00 30.24 30.95 1y1q n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1y1q s LEU 4021N -0.43 1.96 -0.02 1.08 0.20 -1.26 -0.20 118.68 120.00 1y1q s LEU 4021Ca 0.00 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1y1q s LEU 4021Cb 0.00 -0.84 -0.00 0.00 -0.43 0.00 0.00 46.19 44.92 1y1q s LEU 4021CO 0.00 0.16 -0.11 0.00 -0.29 0.00 0.00 176.35 176.11 1y1q s ALA 4022N -0.15 0.98 -0.23 5.97 0.00 -0.55 -1.64 121.76 126.14 1y1q s ALA 4022Ca 0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.41 1y1q s ALA 4022Cb -0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 1y1q s ALA 4022CO 0.00 0.20 0.20 0.42 0.00 0.00 0.00 175.76 176.59 1y1q s ILE 4023N -0.05 5.34 -0.39 0.00 1.01 0.57 -1.43 121.20 126.24 1y1q s ILE 4023Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1y1q s ILE 4023Cb -0.07 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 38.97 1y1q s ILE 4023CO 0.00 0.34 0.14 0.68 0.00 0.00 0.00 174.94 176.11 1y1q s VAL 4024N 1.01 2.78 0.63 2.92 -7.23 0.19 -1.56 120.40 119.13 1y1q s VAL 4024Ca 0.10 -2.32 -0.03 0.00 -1.81 0.00 0.00 61.98 57.92 1y1q s VAL 4024Cb -0.13 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 33.89 1y1q s VAL 4024CO 0.04 -0.66 0.89 -2.16 -0.31 0.00 0.00 175.10 172.90 1y1q s PRO 4025N 0.88 2.38 -0.18 4.82 0.04 -1.18 -2.90 135.00 138.86 1y1q s PRO 4025Ca 0.11 -0.51 -0.22 0.00 0.04 0.00 0.00 61.00 60.41 1y1q s PRO 4025Cb -0.21 -2.33 -0.22 0.00 0.04 0.00 0.00 34.50 31.78 1y1q s PRO 4025CO -0.06 -0.97 0.37 0.78 0.04 0.00 0.00 177.00 177.17 1y1q h GLY 4026N -0.26 0.04 -5.10 0.56 0.00 -1.85 -0.55 103.07 95.90 1y1q h GLY 4026Ca -0.43 -0.09 -0.58 0.00 0.00 0.00 0.00 47.33 46.23 1y1q h GLY 4026CO 0.56 0.08 0.81 -0.35 0.00 0.00 0.00 176.54 177.64 1y1q s ASP 4027N -6.74 7.08 0.42 0.19 3.68 -1.26 -1.31 116.67 118.73 1y1q s ASP 4027Ca -0.26 1.40 0.20 0.00 2.13 0.00 0.00 52.55 56.02 1y1q s ASP 4027Cb 0.04 -2.54 1.14 0.00 -1.45 0.00 0.00 42.92 40.10 1y1q s ASP 4027CO 0.64 -0.68 1.79 -0.65 0.13 0.00 0.00 175.17 176.40 1y1q h PRO 4028N 7.53 0.35 0.00 4.34 0.11 -1.89 -0.71 132.00 141.73 1y1q h PRO 4028Ca -0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1y1q h PRO 4028Cb 1.06 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1y1q h PRO 4028CO 0.98 0.23 -0.03 0.93 -0.21 0.00 0.00 178.00 179.90 1y1q h GLU 4029N 0.36 0.00 -0.00 1.05 5.08 -1.97 -2.12 114.58 116.98 1y1q h GLU 4029Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1y1q h GLU 4029Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1y1q h GLU 4029CO -0.24 0.03 -0.16 0.54 -1.00 0.00 0.00 179.01 178.18 1y1q n ARG 4030N -3.24 0.40 0.24 2.33 5.12 -0.27 -4.29 116.66 116.94 1y1q n ARG 4030Ca -0.01 -0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 55.68 1y1q n ARG 4030Cb 0.19 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 1y1q n ARG 4030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1y1q h VAL 4031N 0.33 0.00 -1.01 1.55 2.07 -1.49 -2.25 116.25 115.46 1y1q h VAL 4031Ca 0.00 -0.02 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1y1q h VAL 4031Cb 0.42 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 1y1q h VAL 4031CO 0.00 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 178.12 1y1q h GLU 4032N -0.63 0.59 0.00 1.57 4.81 -1.78 0.27 114.58 119.42 1y1q h GLU 4032Ca -0.06 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1y1q h GLU 4032Cb 0.46 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1y1q h GLU 4032CO 0.10 0.39 -0.18 0.87 -0.73 0.00 0.00 179.01 179.46 1y1q h LYS 4033N 0.61 0.00 0.03 1.92 1.57 -1.73 0.20 116.57 119.16 1y1q h LYS 4033Ca 0.61 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.35 1y1q h LYS 4033Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1y1q h LYS 4033CO -0.40 0.18 -0.17 0.82 -0.57 0.00 0.00 179.45 179.30 1y1q h ILE 4034N 0.00 1.74 -1.00 1.86 1.08 0.10 -3.32 117.51 117.96 1y1q h ILE 4034Ca -0.00 -2.39 0.04 0.00 -0.39 0.00 0.00 64.86 62.12 1y1q h ILE 4034Cb 0.57 3.35 -0.06 0.00 -3.07 0.00 0.00 36.82 37.62 1y1q h ILE 4034CO 0.02 0.63 0.66 0.00 -0.69 0.00 0.00 178.15 178.77 1y1q h ALA 4035N 0.02 1.35 -0.14 1.87 0.00 -0.99 -2.13 119.26 119.23 1y1q h ALA 4035Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1y1q h ALA 4035Cb 1.14 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1y1q h ALA 4035CO 0.03 0.55 0.50 0.00 0.00 0.00 0.00 179.25 180.33 1y1q h ALA 4036N 1.42 1.69 -0.00 0.00 0.00 -0.70 0.30 119.26 121.95 1y1q h ALA 4036Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1y1q h ALA 4036Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1y1q h ALA 4036CO -0.13 -0.57 -0.31 1.28 0.00 0.00 0.00 179.25 179.52 1y1q n LEU 4037N -3.04 0.60 -4.90 0.00 4.32 -0.80 -4.91 117.00 108.27 1y1q n LEU 4037Ca 0.02 -0.02 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 1y1q n LEU 4037Cb 0.58 -0.23 -0.01 0.00 -1.62 0.00 0.00 43.42 42.14 1y1q n LEU 4037CO 0.15 0.12 0.05 -0.04 -1.22 0.00 0.00 177.39 176.45 1y1q s MET 4038N -2.76 2.27 0.53 3.23 -1.94 0.10 -5.12 119.30 115.61 1y1q s MET 4038Ca 0.18 -1.98 -0.11 0.00 -1.71 0.00 0.00 55.69 52.06 1y1q s MET 4038Cb 0.19 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 1y1q s MET 4038CO 0.59 -0.58 0.93 -0.51 -0.01 0.00 0.00 175.02 175.44 1y1q s ASP 4039N -4.27 6.40 -1.14 3.03 1.01 -0.02 -4.36 116.67 117.32 1y1q s ASP 4039Ca 0.35 1.33 -0.13 0.00 0.71 0.00 0.00 52.55 54.81 1y1q s ASP 4039Cb -0.02 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.51 1y1q s ASP 4039CO 0.22 -0.66 0.24 0.29 0.21 0.00 0.00 175.17 175.48 1y1q n LYS 4040N -2.07 -0.68 -2.52 8.23 5.02 -1.26 -0.16 118.16 124.71 1y1q n LYS 4040Ca 0.05 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1y1q n LYS 4040Cb 0.54 -2.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 1y1q n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1y1q s PRO 4041N -6.79 4.40 0.03 1.97 0.04 -1.26 -4.48 135.00 128.91 1y1q s PRO 4041Ca 0.18 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1y1q s PRO 4041Cb -0.10 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1y1q s PRO 4041CO 0.81 -0.35 -0.04 0.14 0.04 0.00 0.00 177.00 177.60 1y1q s VAL 4042N 1.85 0.22 0.38 -0.36 -7.23 -0.55 -5.02 120.40 109.68 1y1q s VAL 4042Ca 0.55 -0.98 -0.26 0.00 -1.81 0.00 0.00 61.98 59.48 1y1q s VAL 4042Cb -0.24 -0.38 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 1y1q s VAL 4042CO 0.23 -0.49 1.19 -0.75 -0.31 0.00 0.00 175.10 174.97 1y1q s LYS 4043N -1.56 4.14 -0.00 4.82 2.47 -1.26 -1.82 119.74 126.53 1y1q s LYS 4043Ca -0.14 1.91 -0.01 0.00 -1.56 0.00 0.00 55.97 56.17 1y1q s LYS 4043Cb -0.09 -2.78 -0.00 0.00 -1.46 0.00 0.00 37.83 33.49 1y1q s LYS 4043CO -0.01 -0.26 -0.02 1.28 0.16 0.00 0.00 175.35 176.50 1y1q n LEU 4044N 0.28 0.19 -3.61 5.43 4.77 -0.40 -4.85 117.00 118.81 1y1q n LEU 4044Ca 0.03 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1y1q n LEU 4044Cb 0.45 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1y1q n LEU 4044CO 0.52 -0.51 0.39 0.00 -1.33 0.00 0.00 177.39 176.46 1y1q s ALA 4045N -2.44 -1.34 -0.16 -1.18 0.00 -1.08 -4.98 121.76 110.57 1y1q s ALA 4045Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1y1q s ALA 4045Cb 0.00 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.07 1y1q s ALA 4045CO 0.02 -0.85 0.24 0.45 0.00 0.00 0.00 175.76 175.63 1y1q s SER 4046N -2.82 0.85 -0.09 0.00 0.15 -1.25 0.59 113.70 111.13 1y1q s SER 4046Ca 0.05 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 1y1q s SER 4046Cb -0.02 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1y1q s SER 4046CO -0.06 -0.28 0.16 -1.00 1.20 0.00 0.00 173.24 173.26 1y1q s HIS 4047N 2.37 -0.18 0.00 3.44 3.76 -0.58 -4.96 115.29 119.14 1y1q s HIS 4047Ca 0.05 0.62 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1y1q s HIS 4047Cb -0.14 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.29 1y1q s HIS 4047CO -0.10 -0.27 0.00 0.54 -0.85 0.00 0.00 174.74 174.05 1y1q n ARG 4048N 5.33 0.00 0.00 1.40 5.12 -1.26 -0.96 116.66 126.28 1y1q n ARG 4048Ca -0.05 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.96 1y1q n ARG 4048Cb 0.50 0.00 0.54 0.00 -1.16 0.00 0.00 32.46 32.33 1y1q n ARG 4048CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1y1q n GLU 4049N 7.95 0.64 -3.21 5.56 4.71 -1.26 -4.59 120.64 130.44 1y1q n GLU 4049Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.16 56.69 1y1q n GLU 4049Cb 0.00 -1.44 -0.02 0.00 -1.01 0.00 0.00 31.44 28.97 1y1q n GLU 4049CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1y1q s PHE 4050N -2.00 3.67 -0.19 -0.32 2.99 -0.14 -4.12 117.98 117.87 1y1q s PHE 4050Ca 0.27 -1.96 -0.04 0.00 0.00 0.00 0.00 56.93 55.21 1y1q s PHE 4050Cb 0.12 -3.96 -0.02 0.00 0.00 0.00 0.00 43.02 39.16 1y1q s PHE 4050CO 0.21 -1.13 -0.04 0.95 -0.00 0.00 0.00 175.22 175.21 1y1q s THR 4051N 0.65 3.58 0.18 0.64 -4.23 -1.26 -1.53 115.64 113.68 1y1q s THR 4051Ca 0.25 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.40 1y1q s THR 4051Cb -0.08 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 1y1q s THR 4051CO -0.08 0.45 -0.07 -0.94 -0.54 0.00 0.00 174.62 173.44 1y1q s SER 4052N 0.97 4.37 0.06 3.99 1.04 0.20 -2.31 113.70 122.02 1y1q s SER 4052Ca 0.00 -0.54 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 1y1q s SER 4052Cb -0.15 -0.79 -0.02 0.00 0.10 0.00 0.00 66.02 65.17 1y1q s SER 4052CO 0.01 0.10 0.07 0.26 0.98 0.00 0.00 173.24 174.66 1y1q s TRP 4053N -1.72 0.30 0.02 5.02 0.52 0.77 -1.28 118.94 122.57 1y1q s TRP 4053Ca 0.26 -0.73 0.05 0.00 0.02 0.00 0.00 56.10 55.69 1y1q s TRP 4053Cb -0.09 -0.21 -0.02 0.00 -1.15 0.00 0.00 33.47 32.01 1y1q s TRP 4053CO 0.16 -0.42 -0.14 0.50 0.02 0.00 0.00 176.95 177.07 1y1q s ARG 4054N -3.41 1.02 0.00 4.98 3.52 -0.75 -0.47 118.95 123.85 1y1q s ARG 4054Ca 0.02 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 1y1q s ARG 4054Cb 0.04 -1.01 0.00 0.00 -1.56 0.00 0.00 34.95 32.41 1y1q s ARG 4054CO -0.08 0.26 0.00 0.00 -0.81 0.00 0.00 175.30 174.67 1y1q n ALA 4055N 2.29 0.00 -3.26 6.12 0.00 0.70 -1.48 120.51 124.88 1y1q n ALA 4055Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1y1q n ALA 4055Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.89 1y1q n ALA 4055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y1q s GLU 4056N 1.02 0.34 -0.21 0.00 2.12 0.77 -2.46 118.70 120.29 1y1q s GLU 4056Ca 0.00 0.45 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 1y1q s GLU 4056Cb 0.00 0.14 0.06 0.00 0.26 0.00 0.00 34.13 34.59 1y1q s GLU 4056CO 0.00 -0.06 0.02 -1.17 -0.54 0.00 0.00 175.26 173.51 1y1q s LEU 4057N 0.31 1.51 -1.36 2.70 2.96 -0.21 -0.84 118.68 123.76 1y1q s LEU 4057Ca -0.01 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 52.91 1y1q s LEU 4057Cb -0.03 -0.73 0.02 0.00 0.50 0.00 0.00 46.19 45.95 1y1q s LEU 4057CO -0.01 -0.29 1.06 0.47 -1.32 0.00 0.00 176.35 176.26 1y1q n ASP 4058N 4.96 -4.68 -0.56 3.68 10.43 -1.26 -1.04 116.55 128.09 1y1q n ASP 4058Ca -0.09 -0.63 -0.07 0.00 2.57 0.00 0.00 54.79 56.56 1y1q n ASP 4058Cb 0.46 -4.73 -0.03 0.00 1.84 0.00 0.00 41.12 38.66 1y1q n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1y1q n GLY 4059N -1.73 0.85 3.37 0.44 0.00 -1.26 -4.98 105.19 101.88 1y1q n GLY 4059Ca -0.08 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1y1q n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y1q s LYS 4060N -2.30 3.45 0.28 1.61 -0.14 -0.20 -5.08 119.74 117.36 1y1q s LYS 4060Ca 0.00 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.70 1y1q s LYS 4060Cb 0.00 -2.91 -0.11 0.00 -1.68 0.00 0.00 37.83 33.13 1y1q s LYS 4060CO 0.00 -0.01 1.54 0.00 -0.76 0.00 0.00 175.35 176.12 1y1q s ALA 4061N 0.99 3.71 0.03 5.17 0.00 -1.26 -1.04 121.76 129.35 1y1q s ALA 4061Ca -0.00 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1y1q s ALA 4061Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1y1q s ALA 4061CO 0.00 -0.91 -0.07 0.08 0.00 0.00 0.00 175.76 174.87 1y1q s VAL 4062N -0.01 0.47 0.11 0.00 1.01 -1.03 -4.15 120.40 116.81 1y1q s VAL 4062Ca 0.62 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.90 1y1q s VAL 4062Cb -0.46 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1y1q s VAL 4062CO 0.46 -0.22 -0.20 0.27 0.00 0.00 0.00 175.10 175.42 1y1q s ILE 4063N -0.95 1.70 -0.10 2.22 -5.25 -0.65 -0.21 121.20 117.95 1y1q s ILE 4063Ca -0.06 -1.60 0.03 0.00 -0.99 0.00 0.00 60.65 58.03 1y1q s ILE 4063Cb -0.07 -1.58 0.01 0.00 2.95 0.00 0.00 42.46 43.76 1y1q s ILE 4063CO 0.00 -0.11 -0.20 -0.69 -1.79 0.00 0.00 174.94 172.14 1y1q s VAL 4064N -1.33 1.80 -0.02 8.37 1.01 0.39 -0.31 120.40 130.30 1y1q s VAL 4064Ca 0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1y1q s VAL 4064Cb -0.09 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1y1q s VAL 4064CO 0.05 0.50 0.05 0.00 0.00 0.00 0.00 175.10 175.70 1y1q s SER 4066N 0.62 6.87 0.00 0.00 1.04 -0.98 -3.08 113.70 118.18 1y1q s SER 4066Ca -0.05 1.52 0.10 0.00 0.48 0.00 0.00 55.95 58.00 1y1q s SER 4066Cb -0.07 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1y1q s SER 4066CO -0.02 -0.30 0.67 0.35 0.98 0.00 0.00 173.24 174.92 1y1q n THR 4067N -0.55 0.00 -3.50 2.02 -2.24 -0.22 -4.46 114.28 105.33 1y1q n THR 4067Ca 0.06 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1y1q n THR 4067Cb 0.54 1.14 -0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1y1q n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y1q n GLY 4068N 0.86 -1.84 3.72 3.38 0.00 -0.43 -3.01 105.19 107.87 1y1q n GLY 4068Ca 0.05 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 1y1q n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1q s ILE 4069N -0.28 5.15 0.00 -0.61 1.01 -1.26 -4.73 121.20 120.48 1y1q s ILE 4069Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1y1q s ILE 4069Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1y1q s ILE 4069CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1y1q n GLY 4070N 3.27 0.18 0.22 6.18 0.00 -1.24 -4.47 105.19 109.33 1y1q n GLY 4070Ca -0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.21 1y1q n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y1q h GLY 4071N 0.00 0.41 0.97 -0.02 0.00 -1.88 -2.40 103.07 100.16 1y1q h GLY 4071Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 46.99 1y1q h GLY 4071CO 0.00 0.32 0.36 -2.55 0.00 0.00 0.00 176.54 174.67 1y1q h PRO 4072N 0.34 0.71 0.44 4.80 0.11 -1.94 0.18 132.00 136.63 1y1q h PRO 4072Ca 0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1y1q h PRO 4072Cb 0.69 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1y1q h PRO 4072CO 0.05 0.47 -0.21 1.03 -0.21 0.00 0.00 178.00 179.13 1y1q h SER 4073N 0.73 -0.50 -1.00 -2.05 0.87 -1.77 -3.18 113.55 106.65 1y1q h SER 4073Ca 0.21 -0.09 0.20 0.00 -1.23 0.00 0.00 61.79 60.88 1y1q h SER 4073Cb -0.06 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 61.93 1y1q h SER 4073CO -0.06 -0.19 0.61 0.74 -0.53 0.00 0.00 176.83 177.41 1y1q h THR 4074N -0.82 0.68 -0.25 2.23 2.02 -1.26 -0.94 112.91 114.56 1y1q h THR 4074Ca -0.06 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1y1q h THR 4074Cb 0.55 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1y1q h THR 4074CO 0.10 0.13 -0.03 0.77 0.37 0.00 0.00 175.52 176.86 1y1q h SER 4075N 0.71 0.36 0.06 4.18 4.64 -0.95 0.23 113.55 122.78 1y1q h SER 4075Ca 0.58 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1y1q h SER 4075Cb 0.98 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1y1q h SER 4075CO -0.38 0.44 -0.03 0.40 -0.87 0.00 0.00 176.83 176.39 1y1q h ILE 4076N 0.37 1.23 -0.37 0.95 2.04 -1.18 -2.20 117.51 118.37 1y1q h ILE 4076Ca 0.08 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1y1q h ILE 4076Cb 0.30 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1y1q h ILE 4076CO 0.01 0.28 0.20 0.00 0.00 0.00 0.00 178.15 178.64 1y1q h ALA 4077N 0.26 0.46 -0.03 1.87 0.00 -1.22 -0.60 119.26 120.00 1y1q h ALA 4077Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y1q h ALA 4077Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y1q h ALA 4077CO 0.01 -0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.39 1y1q h VAL 4078N 0.40 1.15 -0.25 0.00 2.07 -1.03 -1.02 116.25 117.57 1y1q h VAL 4078Ca 0.15 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1y1q h VAL 4078Cb 0.04 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1y1q h VAL 4078CO -0.09 0.12 0.01 -0.08 0.02 0.00 0.00 177.57 177.54 1y1q h GLU 4079N -0.12 0.08 -0.10 1.57 4.57 -1.24 0.29 114.58 119.63 1y1q h GLU 4079Ca 0.01 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 1y1q h GLU 4079Cb 0.18 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1y1q h GLU 4079CO -0.00 0.05 -0.62 0.93 -1.18 0.00 0.00 179.01 178.19 1y1q h GLU 4080N 0.08 0.37 -0.45 1.92 5.08 -1.08 -1.01 114.58 119.49 1y1q h GLU 4080Ca 0.12 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1y1q h GLU 4080Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1y1q h GLU 4080CO -0.19 0.88 0.04 -0.07 -1.00 0.00 0.00 179.01 178.66 1y1q h LEU 4081N 0.27 0.75 -0.48 1.33 3.38 -0.98 -1.30 115.31 118.29 1y1q h LEU 4081Ca -0.01 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1y1q h LEU 4081Cb 1.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1y1q h LEU 4081CO 0.10 0.85 0.11 0.00 0.09 0.00 0.00 178.44 179.60 1y1q h ALA 4082N 0.93 0.55 -0.98 1.53 0.00 -0.70 0.31 119.26 120.90 1y1q h ALA 4082Ca 0.13 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1y1q h ALA 4082Cb 0.44 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1y1q h ALA 4082CO 0.02 -0.29 0.64 1.96 0.00 0.00 0.00 179.25 181.58 1y1q h GLN 4083N 0.26 1.15 0.00 0.00 4.20 -0.78 -1.51 115.11 118.43 1y1q h GLN 4083Ca 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1y1q h GLN 4083Cb 0.30 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1y1q h GLN 4083CO -0.30 0.76 0.00 -0.07 -0.67 0.00 0.00 178.83 178.55 1y1q h LEU 4084N 1.18 0.00 0.00 1.46 3.38 0.08 -3.47 115.31 117.95 1y1q h LEU 4084Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1y1q h LEU 4084Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1y1q h LEU 4084CO -0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1y1q n GLY 4085N 0.39 0.86 3.77 0.83 0.00 -0.07 -4.76 105.19 106.21 1y1q n GLY 4085Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1y1q n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y1q s ILE 4086N -0.60 2.78 0.00 -0.61 1.09 -0.75 -4.56 121.20 118.55 1y1q s ILE 4086Ca 0.00 0.77 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 1y1q s ILE 4086Cb 0.00 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1y1q s ILE 4086CO 0.00 0.17 0.00 0.54 -0.10 0.00 0.00 174.94 175.55 1y1q n ARG 4087N 0.70 2.92 -4.90 2.79 5.12 0.72 -4.25 116.66 119.76 1y1q n ARG 4087Ca 0.01 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1y1q n ARG 4087Cb 0.42 -0.69 -0.17 0.00 -1.16 0.00 0.00 32.46 30.86 1y1q n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1y1q s THR 4088N -1.25 1.60 -0.15 0.55 2.01 -0.73 0.17 115.64 117.84 1y1q s THR 4088Ca 0.00 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1y1q s THR 4088Cb 0.00 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1y1q s THR 4088CO 0.00 0.46 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.85 1y1q s PHE 4089N 0.49 2.41 -0.25 4.92 0.40 0.33 -1.48 117.98 124.80 1y1q s PHE 4089Ca -0.17 -1.31 -0.01 0.00 -0.60 0.00 0.00 56.93 54.85 1y1q s PHE 4089Cb -0.17 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.70 1y1q s PHE 4089CO 0.06 -0.66 -0.08 -0.51 0.70 0.00 0.00 175.22 174.74 1y1q s LEU 4090N 1.18 3.20 -0.16 -0.37 1.43 -0.52 -1.01 118.68 122.44 1y1q s LEU 4090Ca -0.00 -0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 51.93 1y1q s LEU 4090Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1y1q s LEU 4090CO -0.07 -0.14 0.47 -0.60 0.23 0.00 0.00 176.35 176.24 1y1q s ARG 4091N 1.27 4.27 -0.00 1.70 3.52 -0.20 0.56 118.95 130.06 1y1q s ARG 4091Ca -0.02 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 56.04 1y1q s ARG 4091Cb -0.17 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.70 1y1q s ARG 4091CO -0.05 0.04 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.80 1y1q s ILE 4092N 1.03 2.81 -0.25 4.11 -1.16 -1.14 -1.10 121.20 125.50 1y1q s ILE 4092Ca 0.24 -0.98 -0.37 0.00 -0.51 0.00 0.00 60.65 59.03 1y1q s ILE 4092Cb -0.15 -2.12 0.15 0.00 0.61 0.00 0.00 42.46 40.95 1y1q s ILE 4092CO 0.09 0.48 1.35 -0.83 -2.81 0.00 0.00 174.94 173.22 1y1q s GLY 4093N -1.03 -0.25 -0.02 1.50 0.00 -1.09 -4.10 107.32 102.33 1y1q s GLY 4093Ca 0.13 1.74 -0.01 0.00 0.00 0.00 0.00 44.72 46.58 1y1q s GLY 4093CO 0.02 0.57 0.09 -0.51 0.00 0.00 0.00 173.10 173.27 1y1q s THR 4094N -2.13 4.79 0.37 0.90 -4.23 -1.26 -2.03 115.64 112.04 1y1q s THR 4094Ca 0.12 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1y1q s THR 4094Cb -0.00 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 1y1q s THR 4094CO -0.03 0.38 0.24 0.28 -0.54 0.00 0.00 174.62 174.95 1y1q s THR 4095N -1.17 0.17 -0.08 3.99 -1.32 0.35 -4.87 115.64 112.70 1y1q s THR 4095Ca 0.22 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.74 1y1q s THR 4095Cb -0.12 -2.42 -0.01 0.00 -1.51 0.00 0.00 72.50 68.44 1y1q s THR 4095CO 0.13 0.00 -0.21 -0.83 -2.21 0.00 0.00 174.62 171.50 1y1q s GLY 4096N -3.47 1.38 0.25 6.08 0.00 -1.26 -1.75 107.32 108.56 1y1q s GLY 4096Ca 0.34 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.93 1y1q s GLY 4096CO 0.24 -0.49 0.66 0.00 0.00 0.00 0.00 173.10 173.52 1y1q s ALA 4097N 0.01 3.43 -0.36 3.20 0.00 -0.99 -3.00 121.76 124.05 1y1q s ALA 4097Ca -0.07 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.89 1y1q s ALA 4097Cb -0.15 -2.67 0.11 0.00 0.00 0.00 0.00 23.12 20.41 1y1q s ALA 4097CO 0.05 0.39 1.05 0.44 0.00 0.00 0.00 175.76 177.69 1y1q n ILE 4098N 0.08 0.90 -4.46 0.00 -5.35 -0.36 -2.60 119.36 107.58 1y1q n ILE 4098Ca 0.00 -0.95 -0.34 0.00 -0.27 0.00 0.00 62.75 61.20 1y1q n ILE 4098Cb 0.52 0.56 -0.12 0.00 -1.74 0.00 0.00 39.64 38.86 1y1q n ILE 4098CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1y1q s GLN 4099N -0.93 3.54 0.52 6.28 2.00 -1.23 -4.81 119.66 125.02 1y1q s GLN 4099Ca 0.08 -0.53 0.16 0.00 -2.00 0.00 0.00 55.36 53.07 1y1q s GLN 4099Cb 0.04 -2.85 1.26 0.00 0.80 0.00 0.00 33.01 32.26 1y1q s GLN 4099CO 0.06 0.30 2.14 -1.35 -0.50 0.00 0.00 175.29 175.94 1y1q h PRO 4100N 6.50 0.01 -0.01 1.67 0.11 -1.95 -2.60 132.00 135.73 1y1q h PRO 4100Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1y1q h PRO 4100Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1y1q h PRO 4100CO 0.61 0.01 -0.13 -2.39 -0.21 0.00 0.00 178.00 175.89 1y1q n HIS 4101N -4.53 0.00 -3.35 0.65 1.44 -1.26 -4.72 115.22 103.44 1y1q n HIS 4101Ca -0.02 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.25 1y1q n HIS 4101Cb 0.11 -0.09 -0.08 0.00 0.12 0.00 0.00 29.99 30.04 1y1q n HIS 4101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1y1q s ILE 4102N -2.32 5.16 0.38 0.61 1.01 -0.98 -5.07 121.20 119.99 1y1q s ILE 4102Ca 0.31 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1y1q s ILE 4102Cb 0.20 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1y1q s ILE 4102CO 0.44 -0.55 0.59 0.20 0.00 0.00 0.00 174.94 175.63 1y1q s ASN 4103N 2.33 6.23 0.35 3.58 0.01 -1.26 -4.84 114.94 121.33 1y1q s ASN 4103Ca 0.07 0.48 -0.28 0.00 -0.71 0.00 0.00 52.86 52.42 1y1q s ASN 4103Cb -0.21 -1.98 -0.12 0.00 0.41 0.00 0.00 41.25 39.35 1y1q s ASN 4103CO 0.09 -0.38 1.42 0.52 -1.51 0.00 0.00 177.10 177.24 1y1q n VAL 4104N -1.88 1.81 0.00 1.60 0.31 -1.26 -0.99 118.33 117.92 1y1q n VAL 4104Ca -0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1y1q n VAL 4104Cb 0.56 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1y1q n VAL 4104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y1q n GLY 4105N 0.89 1.71 3.77 2.92 0.00 0.54 -5.00 105.19 110.03 1y1q n GLY 4105Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1y1q n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y1q s ASP 4106N -2.06 4.84 -0.16 1.61 -0.00 -0.16 -4.74 116.67 116.00 1y1q s ASP 4106Ca 0.00 1.87 -0.01 0.00 -0.00 0.00 0.00 52.55 54.41 1y1q s ASP 4106Cb 0.00 -2.53 -0.01 0.00 -0.00 0.00 0.00 42.92 40.38 1y1q s ASP 4106CO 0.00 -1.81 -0.13 -0.69 -0.00 0.00 0.00 175.17 172.55 1y1q s VAL 4107N -2.69 2.93 -0.16 -1.27 1.01 0.01 -1.15 120.40 119.08 1y1q s VAL 4107Ca 0.63 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1y1q s VAL 4107Cb -0.18 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1y1q s VAL 4107CO 0.50 0.50 -0.04 -0.76 0.00 0.00 0.00 175.10 175.30 1y1q s LEU 4108N 0.75 3.19 -0.18 3.92 1.43 0.22 -0.58 118.68 127.44 1y1q s LEU 4108Ca -0.05 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1y1q s LEU 4108Cb -0.15 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.31 1y1q s LEU 4108CO 0.01 0.16 -0.16 -0.69 0.23 0.00 0.00 176.35 175.90 1y1q s VAL 4109N 0.44 2.43 -0.31 -1.59 1.01 -0.14 -0.47 120.40 121.77 1y1q s VAL 4109Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1y1q s VAL 4109Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1y1q s VAL 4109CO 0.03 0.51 0.82 -0.89 0.00 0.00 0.00 175.10 175.57 1y1q s THR 4110N 1.17 4.76 -0.02 3.92 2.01 -0.75 -1.64 115.64 125.09 1y1q s THR 4110Ca 0.02 1.21 -0.20 0.00 0.31 0.00 0.00 61.69 63.02 1y1q s THR 4110Cb -0.14 -4.18 -0.30 0.00 0.01 0.00 0.00 72.50 67.89 1y1q s THR 4110CO -0.07 -0.29 0.97 0.71 -0.69 0.00 0.00 174.62 175.25 1y1q h THR 4111N 5.62 1.45 -3.39 -0.82 1.35 -0.96 -3.40 112.91 112.76 1y1q h THR 4111Ca -0.24 -2.44 -0.02 0.00 -0.55 0.00 0.00 66.41 63.17 1y1q h THR 4111Cb 1.09 3.01 -0.08 0.00 -1.73 0.00 0.00 68.15 70.43 1y1q h THR 4111CO 0.90 0.70 0.01 0.00 -0.25 0.00 0.00 175.52 176.88 1y1q s ALA 4112N -2.68 -0.68 0.08 6.62 0.00 -1.25 0.38 121.76 124.24 1y1q s ALA 4112Ca -0.13 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.34 1y1q s ALA 4112Cb 0.02 0.95 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 1y1q s ALA 4112CO 0.85 -0.88 -0.15 -1.12 0.00 0.00 0.00 175.76 174.46 1y1q s SER 4113N -2.95 1.86 -0.12 0.00 0.01 -0.11 -2.22 113.70 110.17 1y1q s SER 4113Ca 0.16 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1y1q s SER 4113Cb -0.02 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 1y1q s SER 4113CO 0.05 -0.07 1.03 -0.69 0.41 0.00 0.00 173.24 173.97 1y1q s VAL 4114N -1.41 4.71 -1.31 3.43 1.01 0.92 -4.40 120.40 123.35 1y1q s VAL 4114Ca 0.01 1.99 -0.15 0.00 0.00 0.00 0.00 61.98 63.83 1y1q s VAL 4114Cb -0.09 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.10 1y1q s VAL 4114CO 0.03 -0.02 1.77 0.54 0.00 0.00 0.00 175.10 177.42 1y1q n ARG 4115N 5.19 3.21 -1.49 2.72 1.74 -1.26 -1.96 116.66 124.81 1y1q n ARG 4115Ca 0.09 -3.31 -0.36 0.00 -0.77 0.00 0.00 57.85 53.50 1y1q n ARG 4115Cb 0.48 -3.30 0.07 0.00 -1.02 0.00 0.00 32.46 28.69 1y1q n ARG 4115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y1q n LEU 4116N 6.93 7.63 0.00 0.55 4.77 -0.98 -4.93 117.00 130.98 1y1q n LEU 4116Ca 0.46 -4.44 -0.04 0.00 -0.03 0.00 0.00 56.01 51.96 1y1q n LEU 4116Cb 0.43 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 1y1q n LEU 4116CO 0.76 1.55 -0.03 -0.90 -1.33 0.00 0.00 177.39 177.45 1y1q n ASP 4117N -0.82 1.48 -0.01 -1.43 3.85 -1.24 -2.19 116.55 116.19 1y1q n ASP 4117Ca 0.60 -1.32 -0.01 0.00 -0.71 0.00 0.00 54.79 53.35 1y1q n ASP 4117Cb 0.56 0.11 -0.01 0.00 -1.35 0.00 0.00 41.12 40.43 1y1q n ASP 4117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y1q n GLY 4118N 2.81 -0.03 0.32 6.12 0.00 -1.26 -4.74 105.19 108.42 1y1q n GLY 4118Ca -0.02 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.16 1y1q n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1q h ALA 4119N -0.02 1.67 -0.86 4.61 0.00 -1.99 -2.06 119.26 120.62 1y1q h ALA 4119Ca -0.04 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1y1q h ALA 4119Cb 1.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1y1q h ALA 4119CO -0.01 -0.18 0.57 1.03 0.00 0.00 0.00 179.25 180.65 1y1q h SER 4120N 0.00 0.94 0.73 0.00 0.87 -1.87 -1.58 113.55 112.63 1y1q h SER 4120Ca 0.05 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1y1q h SER 4120Cb 0.30 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1y1q h SER 4120CO -0.00 0.65 0.00 0.18 -0.53 0.00 0.00 176.83 177.13 1y1q n LEU 4121N -4.43 0.33 -0.01 2.23 4.77 -0.77 -2.08 117.00 117.02 1y1q n LEU 4121Ca 0.11 0.57 0.15 0.00 -0.03 0.00 0.00 56.01 56.81 1y1q n LEU 4121Cb 0.09 -0.51 0.84 0.00 -2.33 0.00 0.00 43.42 41.51 1y1q n LEU 4121CO 0.35 -0.33 1.06 1.41 -1.33 0.00 0.00 177.39 178.55 1y1q n HIS 4122N -1.85 0.00 0.00 -1.77 8.25 -0.59 -3.90 115.22 115.36 1y1q n HIS 4122Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1y1q n HIS 4122Cb 0.23 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1y1q n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1y1q n PHE 4123N -1.11 0.00 -3.58 4.41 3.01 -0.88 -5.10 117.46 114.20 1y1q n PHE 4123Ca 0.19 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.49 1y1q n PHE 4123Cb 0.18 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 1y1q n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y1q s ALA 4124N -1.82 -1.78 0.94 4.37 0.00 -0.96 -5.00 121.76 117.51 1y1q s ALA 4124Ca 0.00 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 1y1q s ALA 4124Cb 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 23.12 22.56 1y1q s ALA 4124CO 0.00 -0.35 0.89 -0.35 0.00 0.00 0.00 175.76 175.95 1y1q n PRO 4125N 1.92 -0.48 0.22 0.00 -0.04 -1.26 -4.06 135.00 131.29 1y1q n PRO 4125Ca -0.16 -0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1y1q n PRO 4125Cb 0.56 -2.19 0.76 0.00 -0.04 0.00 0.00 33.50 32.59 1y1q n PRO 4125CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1y1q h MET 4126N -1.82 0.00 0.00 0.54 4.05 -1.94 -1.17 114.93 114.59 1y1q h MET 4126Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1y1q h MET 4126Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1y1q h MET 4126CO 0.39 0.00 0.00 0.93 0.23 0.00 0.00 176.91 178.46 1y1q h GLU 4127N 0.00 0.00 -6.50 0.39 3.07 -2.03 -3.42 114.58 106.08 1y1q h GLU 4127Ca 0.06 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.39 1y1q h GLU 4127Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1y1q h GLU 4127CO -0.00 0.00 0.48 0.12 -1.40 0.00 0.00 179.01 178.21 1y1q s PHE 4128N -3.82 3.54 -0.04 4.33 2.19 -0.45 -5.01 117.98 118.74 1y1q s PHE 4128Ca -0.01 1.49 -0.30 0.00 0.33 0.00 0.00 56.93 58.44 1y1q s PHE 4128Cb 0.10 -3.30 -0.03 0.00 -1.31 0.00 0.00 43.02 38.49 1y1q s PHE 4128CO 0.48 -0.75 1.04 -1.25 1.83 0.00 0.00 175.22 176.57 1y1q s PRO 4129N 0.70 4.48 -1.42 10.12 0.04 -1.26 -4.94 135.00 142.71 1y1q s PRO 4129Ca 0.54 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1y1q s PRO 4129Cb -0.27 -3.49 0.06 0.00 0.04 0.00 0.00 34.50 30.84 1y1q s PRO 4129CO 0.30 -0.21 2.14 0.00 0.04 0.00 0.00 177.00 179.27 1y1q n ALA 4130N 4.43 5.34 -2.58 8.56 0.00 -1.26 -4.79 120.51 130.22 1y1q n ALA 4130Ca 0.08 -3.94 -0.35 0.00 0.00 0.00 0.00 53.44 49.23 1y1q n ALA 4130Cb 0.49 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.42 1y1q n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y1q s VAL 4131N 2.91 5.10 0.46 0.00 0.11 -1.26 -0.93 120.40 126.79 1y1q s VAL 4131Ca 0.47 0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 59.86 1y1q s VAL 4131Cb 0.12 -3.65 -0.07 0.00 -1.53 0.00 0.00 36.38 31.25 1y1q s VAL 4131CO -0.06 0.34 0.88 0.00 -3.33 0.00 0.00 175.10 172.93 1y1q s ALA 4132N -1.34 3.19 0.35 1.54 0.00 0.16 -4.69 121.76 120.97 1y1q s ALA 4132Ca 0.31 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1y1q s ALA 4132Cb -0.14 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1y1q s ALA 4132CO 0.17 -0.10 1.23 0.34 0.00 0.00 0.00 175.76 177.40 1y1q s ASP 4133N -3.02 6.74 0.07 0.00 -1.08 0.16 -4.94 116.67 114.60 1y1q s ASP 4133Ca 0.56 2.51 -0.21 0.00 -0.52 0.00 0.00 52.55 54.89 1y1q s ASP 4133Cb -0.10 -2.63 -0.11 0.00 -1.46 0.00 0.00 42.92 38.61 1y1q s ASP 4133CO 0.30 -0.54 1.58 0.15 0.52 0.00 0.00 175.17 177.18 1y1q h PHE 4134N 3.17 0.23 -0.02 -5.34 3.57 -1.95 -1.60 116.94 115.00 1y1q h PHE 4134Ca -0.49 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.01 1y1q h PHE 4134Cb 1.23 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1y1q h PHE 4134CO 0.56 0.35 -0.07 0.00 -2.23 0.00 0.00 178.31 176.92 1y1q h ALA 4135N 0.86 -0.05 -0.73 2.41 0.00 -1.96 0.41 119.26 120.19 1y1q h ALA 4135Ca 0.05 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1y1q h ALA 4135Cb 0.22 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1y1q h ALA 4135CO -0.00 -0.56 0.37 0.00 0.00 0.00 0.00 179.25 179.06 1y1q h THR 4137N 0.62 1.27 -0.07 0.00 2.02 -0.78 -1.09 112.91 114.87 1y1q h THR 4137Ca 0.36 -1.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.11 1y1q h THR 4137Cb 0.40 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1y1q h THR 4137CO -0.28 0.43 -0.65 0.71 0.37 0.00 0.00 175.52 176.11 1y1q h THR 4138N 0.71 1.39 -0.47 3.16 1.35 -0.14 0.01 112.91 118.92 1y1q h THR 4138Ca 0.11 -2.05 -0.06 0.00 -0.55 0.00 0.00 66.41 63.86 1y1q h THR 4138Cb 0.68 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 1y1q h THR 4138CO 0.05 0.61 0.06 0.00 -0.25 0.00 0.00 175.52 175.99 1y1q h ALA 4139N 1.11 0.62 -0.27 6.62 0.00 -0.46 0.01 119.26 126.88 1y1q h ALA 4139Ca -0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1y1q h ALA 4139Cb 1.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1y1q h ALA 4139CO 0.10 0.36 -0.19 -0.07 0.00 0.00 0.00 179.25 179.45 1y1q h LEU 4140N 0.65 0.64 -0.71 0.00 3.38 -1.09 -0.21 115.31 117.97 1y1q h LEU 4140Ca 0.14 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1y1q h LEU 4140Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1y1q h LEU 4140CO 0.01 0.94 0.34 0.58 0.09 0.00 0.00 178.44 180.40 1y1q h VAL 4141N 0.35 1.24 -0.22 1.22 2.07 -0.89 -0.87 116.25 119.14 1y1q h VAL 4141Ca 0.05 -0.67 -0.20 0.00 0.82 0.00 0.00 66.70 66.71 1y1q h VAL 4141Cb 0.73 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1y1q h VAL 4141CO 0.05 0.28 -0.64 -0.33 0.02 0.00 0.00 177.57 176.95 1y1q h GLU 4142N 1.00 0.79 -0.18 1.57 5.08 -0.96 -2.78 114.58 119.09 1y1q h GLU 4142Ca 0.24 -0.55 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 1y1q h GLU 4142Cb 0.13 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1y1q h GLU 4142CO -0.03 1.18 -0.16 0.00 -1.00 0.00 0.00 179.01 179.00 1y1q h ALA 4143N 0.69 1.41 -0.48 3.43 0.00 -0.83 -1.86 119.26 121.61 1y1q h ALA 4143Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1y1q h ALA 4143Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1y1q h ALA 4143CO 0.13 0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 1y1q h ALA 4144N 1.57 0.85 0.00 0.00 0.00 -1.06 -3.09 119.26 117.53 1y1q h ALA 4144Ca 0.05 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 1y1q h ALA 4144Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1y1q h ALA 4144CO 0.03 0.65 -0.83 1.57 0.00 0.00 0.00 179.25 180.66 1y1q h LYS 4145N 0.81 0.00 0.00 0.00 5.09 -1.21 -1.35 116.57 119.91 1y1q h LYS 4145Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 1y1q h LYS 4145Cb 0.66 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.99 1y1q h LYS 4145CO 0.05 0.83 0.00 0.66 -2.09 0.00 0.00 179.45 178.90 1y1q h SER 4146N 0.00 0.00 -0.02 7.07 4.64 -1.27 0.21 113.55 124.18 1y1q h SER 4146Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1y1q h SER 4146Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1y1q h SER 4146CO 0.11 0.00 -0.24 -0.38 -0.87 0.00 0.00 176.83 175.45 1y1q n ILE 4147N -3.05 0.00 -1.21 0.95 5.41 -1.17 -4.96 119.36 115.33 1y1q n ILE 4147Ca -0.01 -0.38 -0.07 0.00 1.00 0.00 0.00 62.75 63.29 1y1q n ILE 4147Cb 0.20 1.37 -0.03 0.00 -0.71 0.00 0.00 39.64 40.47 1y1q n ILE 4147CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y1q n GLY 4148N 1.37 0.93 3.78 7.39 0.00 0.06 -5.01 105.19 113.71 1y1q n GLY 4148Ca 0.11 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1y1q n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y1q s ALA 4149N -2.24 2.67 -0.56 4.61 0.00 -0.52 -4.98 121.76 120.74 1y1q s ALA 4149Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 1y1q s ALA 4149Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1y1q s ALA 4149CO 0.00 -0.82 0.90 0.99 0.00 0.00 0.00 175.76 176.83 1y1q s THR 4150N -1.92 4.45 0.21 0.00 2.01 -1.26 -4.67 115.64 114.47 1y1q s THR 4150Ca 0.71 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.80 1y1q s THR 4150Cb -0.22 -4.53 -0.03 0.00 0.01 0.00 0.00 72.50 67.73 1y1q s THR 4150CO 0.29 -1.13 0.29 -0.89 -0.69 0.00 0.00 174.62 172.49 1y1q s THR 4151N 3.77 5.05 -0.10 -0.82 2.01 -1.26 -0.81 115.64 123.48 1y1q s THR 4151Ca 0.27 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 1y1q s THR 4151Cb -0.14 -3.69 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1y1q s THR 4151CO 0.16 -0.26 0.06 -1.00 -0.69 0.00 0.00 174.62 172.89 1y1q s HIS 4152N -1.93 0.31 -0.31 4.92 3.76 0.26 -4.91 115.29 117.38 1y1q s HIS 4152Ca 0.34 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 55.05 1y1q s HIS 4152Cb -0.09 -0.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.94 1y1q s HIS 4152CO 0.28 -0.36 0.13 0.08 -0.85 0.00 0.00 174.74 174.02 1y1q s VAL 4153N 2.09 4.37 0.00 -0.90 1.01 -1.26 -0.97 120.40 124.75 1y1q s VAL 4153Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1y1q s VAL 4153Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1y1q s VAL 4153CO -0.06 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1y1q n GLY 4154N 4.94 1.61 3.77 4.51 0.00 -0.65 -4.92 105.19 114.45 1y1q n GLY 4154Ca -0.14 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1y1q n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1q s VAL 4155N -1.77 4.86 0.13 1.61 1.01 -1.26 -0.24 120.40 124.73 1y1q s VAL 4155Ca 0.00 1.27 0.10 0.00 0.00 0.00 0.00 61.98 63.35 1y1q s VAL 4155Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1y1q s VAL 4155CO 0.00 0.44 -0.22 -0.89 0.00 0.00 0.00 175.10 174.43 1y1q s THR 4156N -0.35 2.57 -0.26 3.92 2.01 -0.94 -0.01 115.64 122.58 1y1q s THR 4156Ca 0.31 -1.65 -0.10 0.00 0.31 0.00 0.00 61.69 60.57 1y1q s THR 4156Cb -0.19 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1y1q s THR 4156CO 0.18 0.08 0.14 0.00 -0.69 0.00 0.00 174.62 174.33 1y1q s ALA 4157N -1.15 3.41 -0.43 7.40 0.00 0.41 -0.06 121.76 131.35 1y1q s ALA 4157Ca 0.16 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1y1q s ALA 4157Cb -0.10 -2.30 0.09 0.00 0.00 0.00 0.00 23.12 20.81 1y1q s ALA 4157CO 0.08 -0.44 0.28 0.45 0.00 0.00 0.00 175.76 176.13 1y1q s SER 4158N 1.55 5.66 0.11 0.00 0.15 -0.83 -1.48 113.70 118.86 1y1q s SER 4158Ca 0.07 -1.60 -0.02 0.00 0.70 0.00 0.00 55.95 55.09 1y1q s SER 4158Cb -0.15 -1.99 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 1y1q s SER 4158CO 0.07 -0.57 0.31 -0.55 1.20 0.00 0.00 173.24 173.70 1y1q s SER 4159N 2.25 6.42 0.00 5.45 0.15 0.70 -2.31 113.70 126.35 1y1q s SER 4159Ca 0.04 0.43 0.30 0.00 0.70 0.00 0.00 55.95 57.42 1y1q s SER 4159Cb -0.24 -2.03 1.46 0.00 -1.71 0.00 0.00 66.02 63.51 1y1q s SER 4159CO 0.01 0.09 1.98 0.47 1.20 0.00 0.00 173.24 177.00 1y1q n ASP 4160N 0.09 0.76 -4.04 5.45 10.43 -0.93 -4.22 116.55 124.10 1y1q n ASP 4160Ca -0.04 -1.24 -0.13 0.00 2.57 0.00 0.00 54.79 55.95 1y1q n ASP 4160Cb 0.52 -0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.36 1y1q n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1y1q s THR 4161N -2.01 0.44 -0.17 -3.53 -4.23 -1.26 -5.02 115.64 99.86 1y1q s THR 4161Ca 0.43 -0.96 0.16 0.00 -1.18 0.00 0.00 61.69 60.14 1y1q s THR 4161Cb 0.21 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.58 1y1q s THR 4161CO 0.35 -0.35 1.34 0.15 -0.54 0.00 0.00 174.62 175.57 1y1q h PHE 4162N 4.68 0.00 0.00 3.99 3.04 -1.98 -3.39 116.94 123.28 1y1q h PHE 4162Ca -0.34 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1y1q h PHE 4162Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1y1q h PHE 4162CO 0.63 0.47 0.00 0.66 -2.02 0.00 0.00 178.31 178.05 1y1q n TYR 4163N -3.14 0.00 -0.24 0.41 4.02 -1.26 -4.56 117.16 112.38 1y1q n TYR 4163Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1y1q n TYR 4163Cb 0.74 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.22 1y1q n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y1q h PRO 4164N 0.00 0.38 0.00 -0.72 0.13 -1.87 -0.32 132.00 129.60 1y1q h PRO 4164Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1y1q h PRO 4164Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1y1q h PRO 4164CO 0.00 0.25 0.00 0.78 -0.23 0.00 0.00 178.00 178.80 1y1q h GLY 4165N 0.39 0.00 -1.65 1.56 0.00 -1.89 0.18 103.07 101.67 1y1q h GLY 4165Ca 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 1y1q h GLY 4165CO -0.40 0.00 -0.02 -1.06 0.00 0.00 0.00 176.54 175.06 1y1q n GLN 4166N -2.48 2.39 -4.01 4.80 6.02 -0.26 -4.92 117.38 118.92 1y1q n GLN 4166Ca -0.01 -2.95 -0.35 0.00 -0.01 0.00 0.00 57.00 53.69 1y1q n GLN 4166Cb 0.12 -1.81 -0.01 0.00 1.02 0.00 0.00 30.24 29.55 1y1q n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1y1q n GLU 4167N -0.82 -1.38 -3.70 -1.09 2.13 0.64 -4.96 120.64 111.46 1y1q n GLU 4167Ca 0.26 0.24 -0.35 0.00 0.66 0.00 0.00 57.16 57.97 1y1q n GLU 4167Cb 0.93 -3.61 -0.08 0.00 0.27 0.00 0.00 31.44 28.95 1y1q n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1y1q s ARG 4168N -6.88 4.17 0.00 5.31 1.81 -0.43 -4.97 118.95 117.96 1y1q s ARG 4168Ca 0.26 -0.20 0.14 0.00 -1.72 0.00 0.00 55.73 54.20 1y1q s ARG 4168Cb -0.12 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1y1q s ARG 4168CO 0.93 0.25 0.73 0.66 -0.68 0.00 0.00 175.30 177.19 1y1q n TYR 4169N 3.67 0.00 -1.31 -0.53 4.02 -1.26 -4.32 117.16 117.43 1y1q n TYR 4169Ca -0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.46 1y1q n TYR 4169Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1y1q n TYR 4169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1y1q n ASP 4170N -0.43 7.10 -4.54 7.72 5.68 -1.26 -4.25 116.55 126.56 1y1q n ASP 4170Ca 0.05 -2.69 -0.29 0.00 -0.50 0.00 0.00 54.79 51.35 1y1q n ASP 4170Cb 0.27 -1.44 -0.09 0.00 -1.14 0.00 0.00 41.12 38.73 1y1q n ASP 4170CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1y1q s THR 4171N 0.74 1.16 0.26 2.12 -4.23 -1.26 -5.03 115.64 109.40 1y1q s THR 4171Ca 0.65 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1y1q s THR 4171Cb 0.26 -2.41 0.23 0.00 1.34 0.00 0.00 72.50 71.92 1y1q s THR 4171CO -0.06 0.00 1.79 0.22 -0.54 0.00 0.00 174.62 176.02 1y1q h TYR 4172N 1.61 0.83 0.00 3.99 5.03 -1.99 -2.87 116.97 123.57 1y1q h TYR 4172Ca -0.41 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 60.86 1y1q h TYR 4172Cb 1.29 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1y1q h TYR 4172CO 1.29 0.27 -1.33 -1.13 -1.32 0.00 0.00 178.16 175.95 1y1q n SER 4173N -4.80 0.70 0.00 -2.11 3.41 -1.26 -4.96 113.62 104.61 1y1q n SER 4173Ca 0.16 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1y1q n SER 4173Cb 0.36 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1y1q n SER 4173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y1q n GLY 4174N 1.28 1.16 3.81 5.00 0.00 -1.09 -4.97 105.19 110.38 1y1q n GLY 4174Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1y1q n GLY 4174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y1q s ARG 4175N -0.21 2.93 -0.08 1.61 1.70 -1.26 -4.85 118.95 118.79 1y1q s ARG 4175Ca 0.00 -0.85 -0.01 0.00 -0.47 0.00 0.00 55.73 54.41 1y1q s ARG 4175Cb 0.00 -2.67 0.03 0.00 -0.57 0.00 0.00 34.95 31.74 1y1q s ARG 4175CO 0.00 0.49 -0.03 0.08 -1.08 0.00 0.00 175.30 174.76 1y1q s VAL 4176N -1.74 0.64 0.33 4.99 1.01 -1.26 -4.93 120.40 119.44 1y1q s VAL 4176Ca 0.31 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1y1q s VAL 4176Cb -0.10 -0.73 -0.13 0.00 0.00 0.00 0.00 36.38 35.42 1y1q s VAL 4176CO 0.24 0.30 0.89 0.55 0.00 0.00 0.00 175.10 177.07 1y1q n VAL 4177N 4.94 2.05 -0.31 2.92 3.14 -1.26 -4.55 118.33 125.26 1y1q n VAL 4177Ca -0.11 -0.50 -0.01 0.00 -2.96 0.00 0.00 64.34 60.76 1y1q n VAL 4177Cb 0.50 -0.87 0.03 0.00 -1.06 0.00 0.00 33.84 32.45 1y1q n VAL 4177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1y1q n ARG 4178N 0.60 -0.19 -0.35 1.45 0.63 -1.26 -0.67 116.66 116.88 1y1q n ARG 4178Ca 0.11 1.22 0.28 0.00 -0.92 0.00 0.00 57.85 58.53 1y1q n ARG 4178Cb 0.34 -1.81 0.53 0.00 0.45 0.00 0.00 32.46 31.97 1y1q n ARG 4178CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1y1q h ARG 4179N 0.00 0.21 -0.16 -0.14 2.43 -2.02 0.05 114.38 114.74 1y1q h ARG 4179Ca 0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1y1q h ARG 4179Cb 0.47 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1y1q h ARG 4179CO -0.79 0.14 0.00 1.19 -1.51 0.00 0.00 179.97 179.00 1y1q n PHE 4180N -5.03 0.19 -2.14 2.20 3.01 0.15 -4.80 117.46 111.04 1y1q n PHE 4180Ca 0.34 -0.10 -0.42 0.00 1.01 0.00 0.00 57.45 58.27 1y1q n PHE 4180Cb 1.12 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.56 1y1q n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y1q s LYS 4181N -1.66 4.26 -0.55 -1.08 1.02 0.00 -1.81 119.74 119.92 1y1q s LYS 4181Ca 0.30 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.36 1y1q s LYS 4181Cb 0.19 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1y1q s LYS 4181CO 0.28 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1y1q n GLY 4182N 3.72 0.71 0.19 -3.33 0.00 -1.26 -4.91 105.19 100.31 1y1q n GLY 4182Ca 0.14 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1y1q n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y1q h SER 4183N 0.00 0.72 -0.64 1.61 4.64 -1.67 -3.26 113.55 114.95 1y1q h SER 4183Ca -0.11 -0.51 0.01 0.00 -0.47 0.00 0.00 61.79 60.71 1y1q h SER 4183Cb 0.61 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1y1q h SER 4183CO 0.16 1.29 0.42 -0.03 -0.87 0.00 0.00 176.83 177.80 1y1q h MET 4184N 0.38 0.85 0.00 4.77 -1.53 -1.91 -1.80 114.93 115.69 1y1q h MET 4184Ca -0.06 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.08 1y1q h MET 4184Cb 1.45 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 32.31 1y1q h MET 4184CO 0.16 0.57 -0.30 1.49 0.14 0.00 0.00 176.91 178.97 1y1q h GLU 4185N 0.87 0.00 -0.17 0.39 4.81 -1.97 -1.80 114.58 116.70 1y1q h GLU 4185Ca 0.23 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.28 1y1q h GLU 4185Cb -0.09 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1y1q h GLU 4185CO -0.05 0.30 -0.63 0.93 -0.73 0.00 0.00 179.01 178.83 1y1q h GLU 4186N 0.00 0.62 -0.56 1.92 5.08 -1.49 -0.73 114.58 119.42 1y1q h GLU 4186Ca -0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1y1q h GLU 4186Cb 0.53 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1y1q h GLU 4186CO 0.04 1.05 0.11 -1.49 -1.00 0.00 0.00 179.01 177.72 1y1q h TRP 4187N 0.45 0.97 0.13 4.33 -0.00 -0.93 -0.81 115.95 120.10 1y1q h TRP 4187Ca -0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.89 58.75 1y1q h TRP 4187Cb 1.21 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 30.10 1y1q h TRP 4187CO 0.06 0.84 -0.06 1.96 -0.00 0.00 0.00 178.44 181.24 1y1q h GLN 4188N 0.81 -0.17 -0.12 0.49 4.20 -1.21 -0.83 115.11 118.28 1y1q h GLN 4188Ca 0.17 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.93 1y1q h GLN 4188Cb 0.38 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1y1q h GLN 4188CO 0.01 -0.07 0.15 0.00 -0.67 0.00 0.00 178.83 178.25 1y1q h ALA 4189N 0.63 1.69 -0.16 3.87 0.00 -0.92 0.25 119.26 124.61 1y1q h ALA 4189Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y1q h ALA 4189Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y1q h ALA 4189CO 0.03 -0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.74 1y1q n MET 4190N -3.76 1.95 -0.78 0.00 2.81 -0.33 -4.96 117.12 112.06 1y1q n MET 4190Ca 0.00 -1.42 0.00 0.00 -1.81 0.00 0.00 57.70 54.47 1y1q n MET 4190Cb 0.25 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1y1q n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y1q n GLY 4191N 1.25 0.65 3.72 3.03 0.00 0.87 -5.02 105.19 109.69 1y1q n GLY 4191Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1y1q n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y1q s VAL 4192N -2.24 2.70 0.02 1.61 1.01 -0.41 -4.61 120.40 118.47 1y1q s VAL 4192Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 1y1q s VAL 4192Cb 0.00 -3.33 -0.24 0.00 0.00 0.00 0.00 36.38 32.81 1y1q s VAL 4192CO 0.00 0.05 1.11 0.24 0.00 0.00 0.00 175.10 176.49 1y1q h MET 4193N 6.50 0.47 0.00 2.72 0.00 -0.77 -3.41 114.93 120.45 1y1q h MET 4193Ca -0.43 -0.52 -0.03 0.00 0.00 0.00 0.00 59.70 58.72 1y1q h MET 4193Cb 1.21 0.15 -0.01 0.00 0.00 0.00 0.00 31.60 32.95 1y1q h MET 4193CO 0.89 1.16 0.03 0.27 0.00 0.00 0.00 176.91 179.25 1y1q n ASN 4194N -4.13 -0.49 -4.27 1.22 6.94 -1.26 -1.22 115.26 112.05 1y1q n ASN 4194Ca -0.11 -1.44 -0.27 0.00 -0.02 0.00 0.00 54.58 52.74 1y1q n ASN 4194Cb 0.73 0.84 -0.15 0.00 -2.36 0.00 0.00 39.78 38.85 1y1q n ASN 4194CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1y1q s TYR 4195N -6.11 1.98 0.39 -2.53 2.02 -1.16 -0.45 117.35 111.49 1y1q s TYR 4195Ca 0.05 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 1y1q s TYR 4195Cb -0.01 -1.20 0.05 0.00 -0.40 0.00 0.00 41.96 40.41 1y1q s TYR 4195CO 0.04 0.08 0.76 -0.85 -1.57 0.00 0.00 175.55 174.01 1y1q n GLU 4196N 1.96 1.09 -0.31 -0.62 -0.00 -0.55 -4.23 120.64 117.98 1y1q n GLU 4196Ca -0.17 -2.30 0.05 0.00 -0.00 0.00 0.00 57.16 54.75 1y1q n GLU 4196Cb 0.53 2.78 0.08 0.00 -0.00 0.00 0.00 31.44 34.82 1y1q n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1y1q n MET 4197N -0.54 0.70 0.00 3.44 2.81 -1.26 -0.22 117.12 122.05 1y1q n MET 4197Ca -0.08 -1.90 0.00 0.00 -1.81 0.00 0.00 57.70 53.91 1y1q n MET 4197Cb 0.59 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1y1q n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y1q n GLU 4198N -0.75 2.88 0.22 0.03 4.71 -1.26 -3.40 120.64 123.06 1y1q n GLU 4198Ca 0.09 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.32 1y1q n GLU 4198Cb 0.68 -0.24 0.50 0.00 -1.01 0.00 0.00 31.44 31.37 1y1q n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1y1q h SER 4199N 0.00 0.00 -0.16 1.62 4.64 -1.94 -1.79 113.55 115.92 1y1q h SER 4199Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1y1q h SER 4199Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1y1q h SER 4199CO 0.00 0.26 0.03 0.00 -0.87 0.00 0.00 176.83 176.25 1y1q h ALA 4200N 1.74 0.22 0.50 5.18 0.00 -1.87 -0.52 119.26 124.51 1y1q h ALA 4200Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1y1q h ALA 4200Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1y1q h ALA 4200CO 0.03 -0.12 -0.24 1.15 0.00 0.00 0.00 179.25 180.07 1y1q h THR 4201N 0.06 0.36 -0.35 0.00 2.02 -1.91 -1.35 112.91 111.74 1y1q h THR 4201Ca 0.05 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.89 1y1q h THR 4201Cb 0.30 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 67.12 1y1q h THR 4201CO 0.00 0.05 -0.32 0.25 0.37 0.00 0.00 175.52 175.87 1y1q h LEU 4202N -0.98 -1.06 -0.86 2.58 5.85 -1.36 0.14 115.31 119.62 1y1q h LEU 4202Ca -0.07 0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1y1q h LEU 4202Cb 0.61 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1y1q h LEU 4202CO 0.11 -0.32 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.64 1y1q h LEU 4203N -0.27 0.65 -0.07 2.25 4.07 -1.15 -2.69 115.31 118.09 1y1q h LEU 4203Ca 0.16 -0.21 -0.25 0.00 0.08 0.00 0.00 57.88 57.66 1y1q h LEU 4203Cb 0.54 -0.18 0.01 0.00 1.08 0.00 0.00 40.66 42.11 1y1q h LEU 4203CO -0.50 0.83 -0.99 0.74 -1.08 0.00 0.00 178.44 177.44 1y1q h THR 4204N 0.58 1.32 0.42 0.22 2.02 -0.86 -1.90 112.91 114.71 1y1q h THR 4204Ca 0.09 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 64.98 1y1q h THR 4204Cb 0.63 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1y1q h THR 4204CO 0.04 0.70 -0.32 0.24 0.37 0.00 0.00 175.52 176.55 1y1q h MET 4205N 0.35 -0.71 0.07 6.66 2.86 -0.70 -2.48 114.93 120.99 1y1q h MET 4205Ca -0.11 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1y1q h MET 4205Cb 1.64 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.46 1y1q h MET 4205CO 0.19 -0.47 -0.03 0.00 1.06 0.00 0.00 176.91 177.65 1y1q h ALA 4207N 0.40 1.88 -0.58 0.00 0.00 -1.40 -1.14 119.26 118.42 1y1q h ALA 4207Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y1q h ALA 4207Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y1q h ALA 4207CO 0.02 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.86 1y1q n SER 4208N -3.95 3.55 -0.51 0.00 3.41 -0.93 -4.42 113.62 110.77 1y1q n SER 4208Ca 0.02 -2.00 0.02 0.00 -0.26 0.00 0.00 58.87 56.64 1y1q n SER 4208Cb 0.31 -0.39 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 1y1q n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y1q n GLN 4209N 1.21 0.18 -2.65 4.33 6.02 -0.66 -5.02 117.38 120.78 1y1q n GLN 4209Ca 0.19 -1.28 -0.12 0.00 -0.01 0.00 0.00 57.00 55.78 1y1q n GLN 4209Cb 0.55 -0.61 0.02 0.00 1.02 0.00 0.00 30.24 31.22 1y1q n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y1q n GLY 4210N -0.16 0.02 3.49 1.08 0.00 -1.01 -5.00 105.19 103.61 1y1q n GLY 4210Ca 0.03 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1y1q n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y1q s LEU 4211N -3.83 2.66 -0.16 0.99 1.43 -0.52 -5.06 118.68 114.19 1y1q s LEU 4211Ca 0.16 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 1y1q s LEU 4211Cb -0.07 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1y1q s LEU 4211CO 0.19 0.08 0.06 -0.13 0.23 0.00 0.00 176.35 176.79 1y1q s ARG 4212N -3.09 3.78 0.01 1.70 0.52 0.13 -4.04 118.95 117.97 1y1q s ARG 4212Ca 0.26 -0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.07 1y1q s ARG 4212Cb -0.07 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 1y1q s ARG 4212CO 0.14 0.39 0.13 0.00 0.02 0.00 0.00 175.30 175.98 1y1q s ALA 4213N 0.03 -0.27 0.22 2.13 0.00 -1.26 0.12 121.76 122.73 1y1q s ALA 4213Ca 0.06 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1y1q s ALA 4213Cb -0.12 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1y1q s ALA 4213CO 0.01 -0.25 0.48 0.20 0.00 0.00 0.00 175.76 176.20 1y1q s GLY 4214N -1.62 0.32 -0.09 0.00 0.00 -0.18 0.37 107.32 106.12 1y1q s GLY 4214Ca -0.12 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 1y1q s GLY 4214CO -0.00 -0.52 0.26 -0.29 0.00 0.00 0.00 173.10 172.55 1y1q s MET 4215N -3.97 0.36 0.01 2.90 1.75 -1.26 -1.03 119.30 118.06 1y1q s MET 4215Ca 0.17 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.91 1y1q s MET 4215Cb -0.01 0.17 -0.01 0.00 2.84 0.00 0.00 34.83 37.82 1y1q s MET 4215CO 0.04 -0.06 -0.06 0.54 -0.65 0.00 0.00 175.02 174.84 1y1q s VAL 4216N -0.08 0.47 -0.01 10.11 0.11 -0.26 -1.81 120.40 128.93 1y1q s VAL 4216Ca -0.02 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.34 1y1q s VAL 4216Cb -0.03 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1y1q s VAL 4216CO 0.01 -0.07 0.28 0.00 -3.33 0.00 0.00 175.10 171.99 1y1q s ALA 4217N -0.60 -0.71 -0.09 1.54 0.00 0.38 -2.66 121.76 119.62 1y1q s ALA 4217Ca -0.02 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 1y1q s ALA 4217Cb -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1y1q s ALA 4217CO 0.00 -0.26 0.20 0.20 0.00 0.00 0.00 175.76 175.91 1y1q s GLY 4218N -1.36 2.23 -0.28 0.00 0.00 -0.86 -0.61 107.32 106.45 1y1q s GLY 4218Ca -0.14 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 1y1q s GLY 4218CO 0.04 -0.25 0.72 0.14 0.00 0.00 0.00 173.10 173.74 1y1q s VAL 4219N -1.03 4.89 -0.87 1.40 1.01 -0.30 -0.49 120.40 125.00 1y1q s VAL 4219Ca 0.17 1.18 0.11 0.00 0.00 0.00 0.00 61.98 63.44 1y1q s VAL 4219Cb -0.13 -4.05 0.33 0.00 0.00 0.00 0.00 36.38 32.53 1y1q s VAL 4219CO 0.06 -0.11 1.27 2.30 0.00 0.00 0.00 175.10 178.63 1y1q n ILE 4220N 5.35 1.11 0.00 2.22 -5.35 -0.72 -0.34 119.36 121.63 1y1q n ILE 4220Ca 0.02 -1.07 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 1y1q n ILE 4220Cb 0.48 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1y1q n ILE 4220CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1y1q n VAL 4221N 0.44 0.00 -3.91 7.28 3.14 -1.26 -4.97 118.33 119.05 1y1q n VAL 4221Ca 0.12 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.15 1y1q n VAL 4221Cb 0.47 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.11 1y1q n VAL 4221CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1y1q s ASN 4222N 0.00 4.78 0.17 6.55 3.84 -1.26 -2.35 114.94 126.67 1y1q s ASN 4222Ca 0.00 -1.15 -0.21 0.00 0.21 0.00 0.00 52.86 51.70 1y1q s ASN 4222Cb 0.00 -1.71 0.08 0.00 -0.55 0.00 0.00 41.25 39.06 1y1q s ASN 4222CO 0.00 -0.23 1.61 0.03 -2.79 0.00 0.00 177.10 175.72 1y1q h ARG 4223N 8.02 -0.20 -1.27 0.43 3.08 -1.86 -2.51 114.38 120.07 1y1q h ARG 4223Ca -0.24 0.01 0.42 0.00 0.07 0.00 0.00 59.98 60.24 1y1q h ARG 4223Cb 1.07 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.04 1y1q h ARG 4223CO 0.55 -0.13 0.81 1.79 -1.07 0.00 0.00 179.97 181.91 1y1q h THR 4224N -0.21 0.15 0.00 2.04 1.35 -1.90 -3.52 112.91 110.82 1y1q h THR 4224Ca 0.18 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1y1q h THR 4224Cb 0.50 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1y1q h THR 4224CO -0.51 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 174.78 1y1q n GLN 4225N -4.74 0.00 0.00 4.72 0.00 -0.95 -5.14 117.38 111.27 1y1q n GLN 4225Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.36 1y1q n GLN 4225Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.60 1y1q n GLN 4225CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1y1q n ALA 4231N -1.86 2.24 0.39 2.61 0.00 -1.26 -4.64 120.51 117.99 1y1q n ALA 4231Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.47 1y1q n ALA 4231Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1y1q n ALA 4231CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y1q n GLU 4232N -1.87 0.06 0.10 0.00 2.13 -1.26 -1.95 120.64 117.85 1y1q n GLU 4232Ca 0.00 0.28 -0.22 0.00 0.66 0.00 0.00 57.16 57.87 1y1q n GLU 4232Cb 0.00 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.08 1y1q n GLU 4232CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1y1q h THR 4233N 0.00 1.29 -0.49 6.31 2.02 -2.02 -3.03 112.91 116.98 1y1q h THR 4233Ca 0.00 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.64 1y1q h THR 4233Cb 0.14 2.71 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1y1q h THR 4233CO 0.00 0.76 0.10 0.24 0.37 0.00 0.00 175.52 176.98 1y1q h MET 4234N 0.27 0.76 -0.36 6.66 2.86 -1.77 -2.50 114.93 120.85 1y1q h MET 4234Ca -0.19 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 57.35 1y1q h MET 4234Cb 1.93 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 33.40 1y1q h MET 4234CO 0.24 0.70 -0.47 -0.22 1.06 0.00 0.00 176.91 178.22 1y1q h LYS 4235N 0.73 -0.37 -0.01 1.72 1.63 -1.40 -0.71 116.57 118.16 1y1q h LYS 4235Ca 0.16 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1y1q h LYS 4235Cb 0.30 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1y1q h LYS 4235CO 0.00 -0.25 -0.29 1.96 -3.45 0.00 0.00 179.45 177.42 1y1q h GLN 4236N -0.39 0.02 -0.70 1.90 1.08 -1.42 -2.30 115.11 113.29 1y1q h GLN 4236Ca 0.11 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1y1q h GLN 4236Cb 0.60 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 1y1q h GLN 4236CO -0.55 0.31 0.16 1.15 -0.95 0.00 0.00 178.83 178.94 1y1q h THR 4237N 0.02 1.26 -0.01 -0.54 2.02 -0.73 -1.31 112.91 113.62 1y1q h THR 4237Ca -0.00 -0.99 -0.19 0.00 0.77 0.00 0.00 66.41 66.00 1y1q h THR 4237Cb 0.53 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1y1q h THR 4237CO 0.04 0.38 -0.84 -0.08 0.37 0.00 0.00 175.52 175.39 1y1q h GLU 4238N 1.07 0.23 -0.27 6.66 4.81 -1.13 -1.86 114.58 124.09 1y1q h GLU 4238Ca 0.22 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1y1q h GLU 4238Cb 0.39 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1y1q h GLU 4238CO 0.00 0.94 -0.13 1.03 -0.73 0.00 0.00 179.01 180.13 1y1q h SER 4239N 0.13 0.43 0.28 1.04 0.87 -1.11 0.65 113.55 115.85 1y1q h SER 4239Ca -0.04 -0.11 -0.34 0.00 -1.23 0.00 0.00 61.79 60.07 1y1q h SER 4239Cb 1.45 -0.12 0.04 0.00 -0.44 0.00 0.00 62.40 63.33 1y1q h SER 4239CO 0.13 0.60 -1.47 0.45 -0.53 0.00 0.00 176.83 176.01 1y1q h HIS 4240N 0.42 0.97 -0.11 2.24 3.86 -1.20 -2.06 115.15 119.27 1y1q h HIS 4240Ca 0.08 -0.71 -0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1y1q h HIS 4240Cb 0.48 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1y1q h HIS 4240CO 0.01 1.55 0.06 0.00 0.86 0.00 0.00 177.93 180.42 1y1q h ALA 4241N 0.18 0.13 -0.77 2.45 0.00 -1.14 0.36 119.26 120.48 1y1q h ALA 4241Ca -0.25 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1y1q h ALA 4241Cb 2.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 1y1q h ALA 4241CO 0.27 -0.34 0.51 0.28 0.00 0.00 0.00 179.25 179.97 1y1q h VAL 4242N 0.10 1.19 -0.52 0.00 2.07 -0.95 -0.91 116.25 117.23 1y1q h VAL 4242Ca 0.04 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1y1q h VAL 4242Cb 0.05 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1y1q h VAL 4242CO -0.01 0.19 0.27 0.50 0.02 0.00 0.00 177.57 178.54 1y1q h LYS 4243N 1.04 0.73 -0.43 1.57 1.63 -0.58 -2.15 116.57 118.38 1y1q h LYS 4243Ca 0.28 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 60.00 1y1q h LYS 4243Cb -0.12 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.35 1y1q h LYS 4243CO -0.06 0.59 0.27 0.82 -3.45 0.00 0.00 179.45 177.62 1y1q h ILE 4244N 0.69 1.08 -0.22 2.00 1.08 0.90 -2.35 117.51 120.69 1y1q h ILE 4244Ca 0.18 -0.19 -0.15 0.00 -0.39 0.00 0.00 64.86 64.31 1y1q h ILE 4244Cb 0.08 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1y1q h ILE 4244CO -0.03 0.10 -0.47 1.62 -0.69 0.00 0.00 178.15 178.69 1y1q h VAL 4245N 0.55 1.31 -0.31 1.67 3.04 -1.02 -1.16 116.25 120.33 1y1q h VAL 4245Ca 0.16 -1.67 -0.14 0.00 -1.01 0.00 0.00 66.70 64.04 1y1q h VAL 4245Cb -0.03 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1y1q h VAL 4245CO -0.05 0.52 -0.38 0.58 -1.01 0.00 0.00 177.57 177.23 1y1q h VAL 4246N 0.46 1.29 -0.30 1.51 2.07 -1.32 -0.70 116.25 119.26 1y1q h VAL 4246Ca 0.03 -1.55 -0.16 0.00 0.82 0.00 0.00 66.70 65.84 1y1q h VAL 4246Cb 0.99 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1y1q h VAL 4246CO 0.09 0.50 -0.46 -0.08 0.02 0.00 0.00 177.57 177.64 1y1q h GLU 4247N 0.61 0.79 -0.45 1.57 4.57 -1.35 -2.62 114.58 117.70 1y1q h GLU 4247Ca 0.05 -0.45 -0.05 0.00 -1.18 0.00 0.00 59.36 57.73 1y1q h GLU 4247Cb 0.92 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1y1q h GLU 4247CO 0.08 1.08 0.06 0.00 -1.18 0.00 0.00 179.01 179.05 1y1q h ALA 4248N 0.84 1.26 -0.90 2.92 0.00 -1.06 -2.44 119.26 119.89 1y1q h ALA 4248Ca 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1y1q h ALA 4248Cb 1.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1y1q h ALA 4248CO 0.10 0.50 0.59 0.00 0.00 0.00 0.00 179.25 180.45 1y1q h ALA 4249N 1.40 1.15 -0.93 0.00 0.00 -0.81 -2.56 119.26 117.51 1y1q h ALA 4249Ca 0.14 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1y1q h ALA 4249Cb 0.33 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1y1q h ALA 4249CO 0.01 0.51 0.60 0.00 0.00 0.00 0.00 179.25 180.36 1y1q h ARG 4250N 1.19 0.89 0.00 0.00 3.08 -1.08 -0.67 114.38 117.79 1y1q h ARG 4250Ca 0.34 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1y1q h ARG 4250Cb -0.10 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.75 1y1q h ARG 4250CO -0.09 0.59 -0.05 0.00 -1.07 0.00 0.00 179.97 179.36 1y1q h ARG 4251N 0.92 0.00 -0.64 0.04 3.08 -1.48 -3.27 114.38 113.03 1y1q h ARG 4251Ca 0.44 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.33 1y1q h ARG 4251Cb 0.44 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.39 1y1q h ARG 4251CO -0.20 0.05 0.19 1.28 -1.07 0.00 0.00 179.97 180.21 1y1q n LEU 4252N -3.14 5.70 -0.42 3.04 4.77 -0.26 -5.10 117.00 121.59 1y1q n LEU 4252Ca 0.01 -3.21 0.14 0.00 -0.03 0.00 0.00 56.01 52.93 1y1q n LEU 4252Cb 0.39 -0.71 0.58 0.00 -2.33 0.00 0.00 43.42 41.35 1y1q n LEU 4252CO 0.30 0.80 0.90 0.18 -1.33 0.00 0.00 177.39 178.25