#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i8a s SER 4004N 0.00 -0.55 0.00 4.39 0.15 -1.26 -4.52 113.70 111.91 2i8a s SER 4004Ca 0.00 1.04 0.27 0.00 0.70 0.00 0.00 55.95 57.96 2i8a s SER 4004Cb 0.00 1.03 0.94 0.00 -1.71 0.00 0.00 66.02 66.28 2i8a s SER 4004CO 0.00 -0.18 1.68 0.47 1.20 0.00 0.00 173.24 176.41 2i8a n ASP 4005N 3.06 1.00 -4.27 5.45 8.00 0.45 -4.92 116.55 125.32 2i8a n ASP 4005Ca -0.15 -0.97 -0.15 0.00 0.71 0.00 0.00 54.79 54.23 2i8a n ASP 4005Cb 0.56 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.62 2i8a n ASP 4005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2i8a s VAL 4006N -2.37 0.98 0.07 2.53 -7.23 -1.24 -5.05 120.40 108.09 2i8a s VAL 4006Ca 0.29 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 2i8a s VAL 4006Cb 0.20 -2.09 -0.16 0.00 0.56 0.00 0.00 36.38 34.89 2i8a s VAL 4006CO 0.47 -0.53 1.28 -0.26 -0.31 0.00 0.00 175.10 175.74 2i8a h PHE 4007N 2.66 0.82 0.00 2.82 0.05 -1.95 -3.40 116.94 117.94 2i8a h PHE 4007Ca -0.37 -0.34 -0.25 0.00 3.82 0.00 0.00 57.97 60.83 2i8a h PHE 4007Cb 1.20 -0.13 -0.05 0.00 2.00 0.00 0.00 35.95 38.97 2i8a h PHE 4007CO 0.59 1.13 -1.94 0.72 -0.18 0.00 0.00 178.31 178.63 2i8a n HIS 4008N -4.17 0.00 0.21 -0.55 8.25 -1.26 -4.73 115.22 112.97 2i8a n HIS 4008Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.49 2i8a n HIS 4008Cb 0.61 -0.64 0.24 0.00 1.12 0.00 0.00 29.99 31.32 2i8a n HIS 4008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2i8a h LEU 4009N 0.00 0.00 0.21 2.41 3.38 -1.93 -3.44 115.31 115.94 2i8a h LEU 4009Ca -0.37 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.41 2i8a h LEU 4009Cb 1.62 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.40 2i8a h LEU 4009CO -0.05 0.16 -0.28 0.61 0.09 0.00 0.00 178.44 178.97 2i8a n GLY 4010N 0.86 0.12 3.32 0.83 0.00 -1.26 -4.69 105.19 104.37 2i8a n GLY 4010Ca 0.02 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 2i8a n GLY 4010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 4011N -3.38 2.31 0.21 0.99 1.43 -1.26 -4.81 118.68 114.17 2i8a s LEU 4011Ca 0.14 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2i8a s LEU 4011Cb -0.06 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 2i8a s LEU 4011CO 0.17 0.10 0.08 0.42 0.23 0.00 0.00 176.35 177.35 2i8a s THR 4012N -1.13 4.04 0.29 5.49 -4.23 -1.26 -0.41 115.64 118.42 2i8a s THR 4012Ca 0.09 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2i8a s THR 4012Cb -0.10 -3.10 0.28 0.00 1.34 0.00 0.00 72.50 70.92 2i8a s THR 4012CO 0.05 -0.22 1.79 0.50 -0.54 0.00 0.00 174.62 176.20 2i8a h LYS 4013N 2.18 0.78 -0.25 3.99 1.63 -1.96 -2.10 116.57 120.84 2i8a h LYS 4013Ca -0.47 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.27 2i8a h LYS 4013Cb 1.22 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2i8a h LYS 4013CO 0.60 0.51 0.08 -0.97 -3.45 0.00 0.00 179.45 176.23 2i8a h ASN 4014N 0.80 0.31 -0.38 4.20 -1.24 -1.95 -1.99 115.58 115.34 2i8a h ASN 4014Ca 0.52 -0.03 0.11 0.00 0.71 0.00 0.00 56.30 57.61 2i8a h ASN 4014Cb 0.70 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 2i8a h ASN 4014CO -0.34 0.31 0.27 0.44 -1.29 0.00 0.00 177.43 176.82 2i8a h ASP 4015N 0.35 0.02 1.85 1.15 3.45 -1.78 -2.62 116.42 118.84 2i8a h ASP 4015Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 2i8a h ASP 4015Cb 0.11 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 2i8a h ASP 4015CO -0.01 0.01 0.00 -0.07 -1.57 0.00 0.00 179.24 177.61 2i8a h LEU 4016N 0.02 0.00 -1.16 1.55 4.07 -1.44 -3.48 115.31 114.87 2i8a h LEU 4016Ca 0.18 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.66 2i8a h LEU 4016Cb 0.69 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 2i8a h LEU 4016CO -0.01 0.00 -0.78 0.00 -1.08 0.00 0.00 178.44 176.57 2i8a n GLN 4017N -3.02 -5.06 -0.75 1.13 1.13 -0.99 -1.39 117.38 108.42 2i8a n GLN 4017Ca 0.04 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 2i8a n GLN 4017Cb 0.50 -5.35 0.00 0.00 0.11 0.00 0.00 30.24 25.50 2i8a n GLN 4017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2i8a n GLY 4018N -1.66 0.80 3.67 1.08 0.00 -1.26 -4.56 105.19 103.26 2i8a n GLY 4018Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 2i8a n GLY 4018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a n ALA 4019N 0.26 1.00 -0.28 4.61 0.00 -0.49 -4.86 120.51 120.76 2i8a n ALA 4019Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2i8a n ALA 4019Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 2i8a n ALA 4019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2i8a n GLN 4020N 1.29 -0.42 -4.54 0.00 6.02 -1.26 -4.36 117.38 114.11 2i8a n GLN 4020Ca 0.09 -0.45 -0.22 0.00 -0.01 0.00 0.00 57.00 56.40 2i8a n GLN 4020Cb 0.33 -0.86 -0.16 0.00 1.02 0.00 0.00 30.24 30.58 2i8a n GLN 4020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2i8a s LEU 4021N -0.08 1.84 -0.02 1.08 0.20 -1.26 -0.72 118.68 119.72 2i8a s LEU 4021Ca 0.00 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.64 2i8a s LEU 4021Cb 0.00 -0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 2i8a s LEU 4021CO 0.00 0.10 -0.21 0.00 -0.29 0.00 0.00 176.35 175.95 2i8a s ALA 4022N 0.10 1.78 -0.21 5.97 0.00 -0.03 -1.84 121.76 127.53 2i8a s ALA 4022Ca -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2i8a s ALA 4022Cb -0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 2i8a s ALA 4022CO 0.01 0.42 0.16 0.42 0.00 0.00 0.00 175.76 176.77 2i8a s ILE 4023N -0.41 5.37 -0.54 0.00 1.01 0.75 -1.05 121.20 126.33 2i8a s ILE 4023Ca 0.06 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2i8a s ILE 4023Cb -0.09 -3.50 0.15 0.00 0.01 0.00 0.00 42.46 39.02 2i8a s ILE 4023CO -0.00 0.39 0.33 0.68 0.00 0.00 0.00 174.94 176.34 2i8a s VAL 4024N 0.70 2.15 0.77 2.92 -7.23 0.50 -1.33 120.40 118.88 2i8a s VAL 4024Ca 0.09 -3.33 -0.12 0.00 -1.81 0.00 0.00 61.98 56.81 2i8a s VAL 4024Cb -0.12 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.41 2i8a s VAL 4024CO 0.02 -0.93 1.11 -2.16 -0.31 0.00 0.00 175.10 172.82 2i8a s PRO 4025N -0.43 2.28 0.00 4.82 0.04 -1.23 -3.20 135.00 137.28 2i8a s PRO 4025Ca 0.21 0.51 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2i8a s PRO 4025Cb -0.16 -1.95 -0.34 0.00 0.04 0.00 0.00 34.50 32.08 2i8a s PRO 4025CO -0.07 -1.45 0.88 0.78 0.04 0.00 0.00 177.00 177.18 2i8a h GLY 4026N -0.96 0.57 -6.81 0.56 0.00 -1.85 -1.46 103.07 93.11 2i8a h GLY 4026Ca -0.46 -1.45 -0.62 0.00 0.00 0.00 0.00 47.33 44.80 2i8a h GLY 4026CO 0.62 1.27 -0.00 -0.35 0.00 0.00 0.00 176.54 178.07 2i8a s ASP 4027N -7.49 6.44 0.45 0.19 3.68 -1.26 -1.70 116.67 116.98 2i8a s ASP 4027Ca -0.12 0.51 0.20 0.00 2.13 0.00 0.00 52.55 55.27 2i8a s ASP 4027Cb 0.04 -2.28 1.16 0.00 -1.45 0.00 0.00 42.92 40.39 2i8a s ASP 4027CO 0.91 -0.31 1.89 1.55 0.13 0.00 0.00 175.17 179.35 2i8a h PRO 4028N 8.04 0.30 0.00 4.34 0.13 -1.88 -1.05 132.00 141.87 2i8a h PRO 4028Ca -0.29 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 2i8a h PRO 4028Cb 1.14 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2i8a h PRO 4028CO 0.72 0.20 -0.08 0.93 -0.23 0.00 0.00 178.00 179.55 2i8a h GLU 4029N 0.31 0.00 0.00 0.86 5.08 -1.95 -2.70 114.58 116.18 2i8a h GLU 4029Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2i8a h GLU 4029Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2i8a h GLU 4029CO -0.12 0.08 -0.10 -0.09 -1.00 0.00 0.00 179.01 177.78 2i8a h ARG 4030N 0.00 0.00 0.19 2.33 9.65 -1.60 -3.38 114.38 121.57 2i8a h ARG 4030Ca -0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2i8a h ARG 4030Cb 0.40 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 2i8a h ARG 4030CO 0.01 0.00 -0.23 0.28 2.80 0.00 0.00 179.97 182.83 2i8a h VAL 4031N 0.00 0.51 -0.64 0.20 2.07 -1.54 -2.23 116.25 114.62 2i8a h VAL 4031Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2i8a h VAL 4031Cb 0.95 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2i8a h VAL 4031CO 0.00 0.00 0.30 -0.08 0.02 0.00 0.00 177.57 177.81 2i8a h GLU 4032N -0.46 0.51 -0.45 1.57 4.81 -1.77 -1.55 114.58 117.24 2i8a h GLU 4032Ca 0.01 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2i8a h GLU 4032Cb 0.45 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 2i8a h GLU 4032CO -0.08 0.34 0.09 0.87 -0.73 0.00 0.00 179.01 179.51 2i8a h LYS 4033N 0.53 0.22 -0.31 1.92 1.57 -1.69 -1.09 116.57 117.72 2i8a h LYS 4033Ca 0.31 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 2i8a h LYS 4033Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2i8a h LYS 4033CO -0.26 0.15 -0.20 0.82 -0.57 0.00 0.00 179.45 179.40 2i8a h ILE 4034N 0.23 1.30 -0.09 1.86 2.04 -0.88 -2.89 117.51 119.08 2i8a h ILE 4034Ca 0.22 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2i8a h ILE 4034Cb 0.28 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2i8a h ILE 4034CO -0.29 0.43 -0.09 0.00 0.00 0.00 0.00 178.15 178.19 2i8a h ALA 4035N 0.74 1.67 0.00 1.87 0.00 -1.06 -2.46 119.26 120.03 2i8a h ALA 4035Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2i8a h ALA 4035Cb 0.74 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2i8a h ALA 4035CO 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 2i8a h ALA 4036N 1.78 1.04 0.00 0.00 0.00 -0.98 -1.93 119.26 119.16 2i8a h ALA 4036Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i8a h ALA 4036Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2i8a h ALA 4036CO 0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2i8a n LEU 4037N -3.17 0.00 -4.74 0.00 4.77 -0.92 -4.85 117.00 108.09 2i8a n LEU 4037Ca -0.01 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.88 2i8a n LEU 4037Cb 0.23 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2i8a n LEU 4037CO 0.26 -0.03 -0.25 -0.04 -1.33 0.00 0.00 177.39 176.00 2i8a s MET 4038N -2.45 2.15 0.36 3.23 -1.94 -0.73 -5.13 119.30 114.78 2i8a s MET 4038Ca 0.28 -2.31 -0.13 0.00 -1.71 0.00 0.00 55.69 51.81 2i8a s MET 4038Cb 0.18 -1.59 -0.08 0.00 2.01 0.00 0.00 34.83 35.35 2i8a s MET 4038CO 0.38 -0.30 0.75 0.34 -0.01 0.00 0.00 175.02 176.18 2i8a s ASP 4039N -3.86 6.68 -1.30 3.03 2.15 -0.64 -4.47 116.67 118.26 2i8a s ASP 4039Ca 0.14 1.23 -0.14 0.00 0.43 0.00 0.00 52.55 54.22 2i8a s ASP 4039Cb 0.03 -2.36 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2i8a s ASP 4039CO 0.07 -0.29 0.53 0.29 -0.17 0.00 0.00 175.17 175.61 2i8a n LYS 4040N -0.73 -1.73 -2.59 4.34 5.02 -1.26 -0.16 118.16 121.04 2i8a n LYS 4040Ca 0.03 0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.22 2i8a n LYS 4040Cb 0.53 -3.87 -0.04 0.00 -0.02 0.00 0.00 35.03 31.64 2i8a n LYS 4040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2i8a s PRO 4041N -6.67 4.59 -0.04 1.97 0.04 -1.26 -4.39 135.00 129.24 2i8a s PRO 4041Ca 0.25 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2i8a s PRO 4041Cb -0.11 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.11 2i8a s PRO 4041CO 0.91 0.03 -0.00 0.08 0.04 0.00 0.00 177.00 178.06 2i8a s VAL 4042N 0.28 0.27 0.22 -0.36 1.01 0.50 -4.99 120.40 117.32 2i8a s VAL 4042Ca 0.51 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 2i8a s VAL 4042Cb -0.26 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 2i8a s VAL 4042CO 0.31 0.18 1.24 -0.75 0.00 0.00 0.00 175.10 176.09 2i8a s LYS 4043N 1.23 4.45 -0.17 2.72 2.20 -1.26 -0.22 119.74 128.69 2i8a s LYS 4043Ca -0.07 1.98 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 2i8a s LYS 4043Cb -0.13 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 2i8a s LYS 4043CO -0.02 -0.13 -0.25 1.28 -0.36 0.00 0.00 175.35 175.87 2i8a n LEU 4044N 2.20 1.45 -3.50 5.43 4.77 0.06 -4.89 117.00 122.52 2i8a n LEU 4044Ca 0.04 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2i8a n LEU 4044Cb 0.44 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2i8a n LEU 4044CO 0.57 0.18 0.62 0.00 -1.33 0.00 0.00 177.39 177.43 2i8a s ALA 4045N -2.43 -1.80 -0.14 -1.18 0.00 -1.07 -5.02 121.76 110.12 2i8a s ALA 4045Ca -0.25 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.73 2i8a s ALA 4045Cb 0.08 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.51 2i8a s ALA 4045CO 0.33 -0.59 0.15 0.45 0.00 0.00 0.00 175.76 176.10 2i8a s SER 4046N -2.12 1.41 -0.03 0.00 0.15 -1.26 -1.06 113.70 110.80 2i8a s SER 4046Ca 0.01 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 2i8a s SER 4046Cb -0.01 0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 2i8a s SER 4046CO -0.05 -0.30 0.05 -1.00 1.20 0.00 0.00 173.24 173.13 2i8a s HIS 4047N 2.25 0.01 0.00 3.44 3.76 -0.54 -5.00 115.29 119.21 2i8a s HIS 4047Ca 0.04 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2i8a s HIS 4047Cb -0.14 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.31 2i8a s HIS 4047CO -0.08 -0.11 0.00 0.54 -0.85 0.00 0.00 174.74 174.24 2i8a n ARG 4048N 4.26 0.00 -0.11 1.40 1.74 -1.26 -0.41 116.66 122.28 2i8a n ARG 4048Ca -0.26 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.87 2i8a n ARG 4048Cb 0.50 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 32.10 2i8a n ARG 4048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2i8a n GLU 4049N 14.00 1.55 -3.44 5.56 0.00 -1.26 -4.77 120.64 132.28 2i8a n GLU 4049Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 57.16 55.88 2i8a n GLU 4049Cb 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 2i8a n GLU 4049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2i8a s PHE 4050N -1.71 3.40 -0.20 -1.84 0.40 0.45 -3.95 117.98 114.54 2i8a s PHE 4050Ca 0.18 -1.71 -0.07 0.00 -0.60 0.00 0.00 56.93 54.73 2i8a s PHE 4050Cb 0.10 -3.65 -0.04 0.00 0.51 0.00 0.00 43.02 39.94 2i8a s PHE 4050CO 0.13 -1.00 0.06 0.99 0.70 0.00 0.00 175.22 176.10 2i8a s THR 4051N 1.21 4.56 -0.03 0.64 2.01 -1.26 -1.47 115.64 121.29 2i8a s THR 4051Ca 0.07 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.99 2i8a s THR 4051Cb -0.25 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.19 2i8a s THR 4051CO -0.01 0.42 -0.12 -0.94 -0.69 0.00 0.00 174.62 173.29 2i8a s SER 4052N 0.76 1.56 0.17 3.53 1.04 -0.22 -1.15 113.70 119.39 2i8a s SER 4052Ca 0.03 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.30 2i8a s SER 4052Cb -0.14 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 2i8a s SER 4052CO 0.02 0.09 -0.18 0.26 0.98 0.00 0.00 173.24 174.42 2i8a s TRP 4053N 0.18 1.81 0.07 5.02 0.52 0.18 -0.76 118.94 125.96 2i8a s TRP 4053Ca -0.04 -0.48 0.07 0.00 0.02 0.00 0.00 56.10 55.67 2i8a s TRP 4053Cb -0.10 -0.89 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 2i8a s TRP 4053CO 0.01 0.34 -0.14 0.50 0.02 0.00 0.00 176.95 177.68 2i8a s ARG 4054N -2.94 2.10 0.21 4.98 3.52 0.69 -1.13 118.95 126.38 2i8a s ARG 4054Ca 0.17 -0.99 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 2i8a s ARG 4054Cb -0.05 -2.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.09 2i8a s ARG 4054CO 0.07 0.53 0.25 0.00 -0.81 0.00 0.00 175.30 175.34 2i8a n ALA 4055N 1.16 0.02 -2.63 6.12 0.00 0.28 -0.37 120.51 125.09 2i8a n ALA 4055Ca -0.15 -1.05 -0.20 0.00 0.00 0.00 0.00 53.44 52.03 2i8a n ALA 4055Cb 0.52 0.85 -0.14 0.00 0.00 0.00 0.00 19.45 20.68 2i8a n ALA 4055CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2i8a s GLU 4056N -2.60 0.95 -0.09 0.00 2.02 0.78 -0.53 118.70 119.22 2i8a s GLU 4056Ca 0.20 -0.60 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 2i8a s GLU 4056Cb 0.00 -0.93 0.04 0.00 0.10 0.00 0.00 34.13 33.34 2i8a s GLU 4056CO 0.14 0.24 0.06 -1.17 0.02 0.00 0.00 175.26 174.55 2i8a s LEU 4057N -0.74 0.37 -1.67 1.80 2.96 -0.01 -1.62 118.68 119.77 2i8a s LEU 4057Ca 0.03 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.56 2i8a s LEU 4057Cb -0.06 -0.26 0.14 0.00 0.50 0.00 0.00 46.19 46.51 2i8a s LEU 4057CO 0.00 -0.27 0.75 0.47 -1.32 0.00 0.00 176.35 175.98 2i8a n ASP 4058N 5.24 -3.03 0.00 3.68 10.43 -1.26 -1.59 116.55 130.02 2i8a n ASP 4058Ca -0.05 -1.01 0.00 0.00 2.57 0.00 0.00 54.79 56.30 2i8a n ASP 4058Cb 0.49 -2.79 0.00 0.00 1.84 0.00 0.00 41.12 40.66 2i8a n ASP 4058CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2i8a n GLY 4059N -1.47 0.83 3.42 0.44 0.00 -1.26 -5.04 105.19 102.11 2i8a n GLY 4059Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2i8a n GLY 4059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i8a s LYS 4060N -0.32 2.72 0.37 1.61 1.02 -0.62 -5.09 119.74 119.44 2i8a s LYS 4060Ca 0.00 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.99 2i8a s LYS 4060Cb 0.00 -2.41 -0.10 0.00 -0.52 0.00 0.00 37.83 34.80 2i8a s LYS 4060CO 0.00 0.49 1.38 0.00 -0.92 0.00 0.00 175.35 176.29 2i8a s ALA 4061N -0.38 3.44 0.00 5.17 0.00 -1.26 -0.83 121.76 127.91 2i8a s ALA 4061Ca 0.04 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.38 2i8a s ALA 4061Cb -0.12 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 2i8a s ALA 4061CO 0.02 -0.87 -0.02 0.14 0.00 0.00 0.00 175.76 175.02 2i8a s VAL 4062N -1.17 0.16 -0.12 0.00 -7.23 0.31 -4.21 120.40 108.14 2i8a s VAL 4062Ca 0.53 -0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.38 2i8a s VAL 4062Cb -0.42 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 2i8a s VAL 4062CO 0.56 -0.07 0.10 -0.63 -0.31 0.00 0.00 175.10 174.75 2i8a s ILE 4063N -0.34 5.15 -0.16 -0.62 -1.09 -0.77 -0.56 121.20 122.81 2i8a s ILE 4063Ca -0.02 0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.47 2i8a s ILE 4063Cb -0.03 -3.24 -0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2i8a s ILE 4063CO -0.00 0.59 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.48 2i8a s VAL 4064N -0.81 2.81 -0.06 2.92 1.01 -0.28 -0.18 120.40 125.82 2i8a s VAL 4064Ca 0.13 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2i8a s VAL 4064Cb -0.12 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.09 2i8a s VAL 4064CO 0.03 0.50 0.13 0.00 0.00 0.00 0.00 175.10 175.76 2i8a s SER 4066N 1.13 6.58 0.00 0.00 1.04 -0.30 -3.58 113.70 118.58 2i8a s SER 4066Ca -0.09 1.74 0.14 0.00 0.48 0.00 0.00 55.95 58.22 2i8a s SER 4066Cb -0.11 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.32 2i8a s SER 4066CO -0.05 -0.61 0.60 0.35 0.98 0.00 0.00 173.24 174.51 2i8a n THR 4067N -1.09 0.00 -1.24 2.02 -2.24 -0.55 -4.39 114.28 106.79 2i8a n THR 4067Ca 0.08 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 2i8a n THR 4067Cb 0.53 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 2i8a n THR 4067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i8a n GLY 4068N 1.33 -1.97 3.70 3.38 0.00 -0.69 -3.26 105.19 107.69 2i8a n GLY 4068Ca 0.03 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 2i8a n GLY 4068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 4069N -1.73 4.96 0.00 -0.61 1.01 -1.26 -4.72 121.20 118.86 2i8a s ILE 4069Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2i8a s ILE 4069Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2i8a s ILE 4069CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2i8a n GLY 4070N 3.12 1.95 0.26 6.18 0.00 -1.26 -4.59 105.19 110.85 2i8a n GLY 4070Ca 0.02 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 2i8a n GLY 4070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2i8a h GLY 4071N 0.00 0.31 0.40 -0.02 0.00 -1.85 -2.06 103.07 99.85 2i8a h GLY 4071Ca 0.00 0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.63 2i8a h GLY 4071CO 0.00 -0.23 -0.17 -2.55 0.00 0.00 0.00 176.54 173.59 2i8a h PRO 4072N -0.05 -0.19 -0.09 4.80 0.11 -1.94 0.23 132.00 134.87 2i8a h PRO 4072Ca 0.27 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 2i8a h PRO 4072Cb 0.47 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2i8a h PRO 4072CO -0.63 -0.13 -0.44 0.66 -0.21 0.00 0.00 178.00 177.25 2i8a h SER 4073N -0.20 0.21 -0.60 -2.05 4.64 -1.78 -2.84 113.55 110.94 2i8a h SER 4073Ca 0.10 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2i8a h SER 4073Cb 0.35 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2i8a h SER 4073CO -0.27 0.64 0.37 0.74 -0.87 0.00 0.00 176.83 177.43 2i8a h THR 4074N 0.17 1.17 -0.41 2.95 2.02 -0.96 -2.02 112.91 115.83 2i8a h THR 4074Ca 0.01 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2i8a h THR 4074Cb 0.86 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2i8a h THR 4074CO 0.07 0.17 0.23 0.77 0.37 0.00 0.00 175.52 177.13 2i8a h SER 4075N 0.81 0.48 -0.03 4.18 4.64 -0.34 -0.27 113.55 123.02 2i8a h SER 4075Ca 0.22 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2i8a h SER 4075Cb -0.04 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2i8a h SER 4075CO -0.04 0.38 -0.01 0.40 -0.87 0.00 0.00 176.83 176.69 2i8a h ILE 4076N 0.56 1.33 -0.59 0.95 2.04 -1.23 -2.27 117.51 118.30 2i8a h ILE 4076Ca 0.15 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 2i8a h ILE 4076Cb -0.00 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2i8a h ILE 4076CO -0.03 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.58 2i8a h ALA 4077N 0.60 0.77 -0.22 1.87 0.00 -0.96 -1.45 119.26 119.88 2i8a h ALA 4077Ca 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2i8a h ALA 4077Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2i8a h ALA 4077CO 0.00 0.43 -0.02 0.28 0.00 0.00 0.00 179.25 179.95 2i8a h VAL 4078N 0.83 1.26 -0.04 0.00 2.07 -1.11 -0.28 116.25 118.98 2i8a h VAL 4078Ca 0.19 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2i8a h VAL 4078Cb 0.28 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2i8a h VAL 4078CO -0.01 0.29 -0.05 -0.08 0.02 0.00 0.00 177.57 177.74 2i8a h GLU 4079N 0.15 -0.06 -0.22 1.57 4.57 -1.29 0.10 114.58 119.40 2i8a h GLU 4079Ca 0.06 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 2i8a h GLU 4079Cb 0.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2i8a h GLU 4079CO 0.01 -0.04 -0.32 0.93 -1.18 0.00 0.00 179.01 178.41 2i8a h GLU 4080N -0.06 0.45 -0.55 1.92 5.08 -1.20 -0.55 114.58 119.66 2i8a h GLU 4080Ca 0.03 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2i8a h GLU 4080Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2i8a h GLU 4080CO -0.08 0.72 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.53 2i8a h LEU 4081N 0.39 0.99 -1.06 1.33 3.38 -0.81 -2.12 115.31 117.42 2i8a h LEU 4081Ca 0.05 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2i8a h LEU 4081Cb 0.76 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2i8a h LEU 4081CO 0.06 1.08 0.55 0.00 0.09 0.00 0.00 178.44 180.22 2i8a h ALA 4082N 0.94 1.30 -0.16 1.53 0.00 -0.36 -0.47 119.26 122.04 2i8a h ALA 4082Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2i8a h ALA 4082Cb 0.61 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2i8a h ALA 4082CO 0.04 0.61 -0.05 1.96 0.00 0.00 0.00 179.25 181.81 2i8a h GLN 4083N 1.22 0.24 -0.05 0.00 4.20 -0.76 -2.04 115.11 117.91 2i8a h GLN 4083Ca 0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2i8a h GLN 4083Cb -0.08 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2i8a h GLN 4083CO -0.06 0.31 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 2i8a n LEU 4084N -4.35 1.30 0.00 1.46 4.77 -0.68 -4.93 117.00 114.57 2i8a n LEU 4084Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2i8a n LEU 4084Cb 0.21 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2i8a n LEU 4084CO 0.37 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2i8a n GLY 4085N 1.13 0.83 3.73 -0.72 0.00 -0.76 -4.81 105.19 104.58 2i8a n GLY 4085Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2i8a n GLY 4085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i8a s ILE 4086N -2.00 3.33 0.00 -0.61 -1.09 -0.27 -4.58 121.20 115.98 2i8a s ILE 4086Ca 0.00 1.05 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 2i8a s ILE 4086Cb 0.00 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2i8a s ILE 4086CO 0.00 0.14 0.00 0.54 -1.23 0.00 0.00 174.94 174.39 2i8a n ARG 4087N 2.95 4.77 -4.35 2.79 5.12 0.10 -4.13 116.66 123.92 2i8a n ARG 4087Ca 0.07 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 2i8a n ARG 4087Cb 0.43 -0.58 -0.16 0.00 -1.16 0.00 0.00 32.46 30.98 2i8a n ARG 4087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2i8a s THR 4088N -1.14 0.83 -0.10 0.55 2.01 -0.86 -0.92 115.64 116.01 2i8a s THR 4088Ca 0.00 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2i8a s THR 4088Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2i8a s THR 4088CO 0.00 0.29 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.70 2i8a s PHE 4089N 0.83 2.01 -0.28 4.92 0.40 0.80 -0.85 117.98 125.80 2i8a s PHE 4089Ca -0.12 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2i8a s PHE 4089Cb -0.15 -1.43 0.06 0.00 0.51 0.00 0.00 43.02 42.01 2i8a s PHE 4089CO 0.02 -0.45 -0.05 -0.51 0.70 0.00 0.00 175.22 174.92 2i8a s LEU 4090N 0.86 3.71 0.09 -0.37 1.43 -0.22 -1.47 118.68 122.71 2i8a s LEU 4090Ca -0.09 -1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 51.37 2i8a s LEU 4090Cb -0.15 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 2i8a s LEU 4090CO 0.00 -0.23 0.87 -0.60 0.23 0.00 0.00 176.35 176.62 2i8a s ARG 4091N 1.17 4.61 -0.18 1.70 3.52 -0.41 -0.37 118.95 128.99 2i8a s ARG 4091Ca -0.07 1.28 0.01 0.00 -0.13 0.00 0.00 55.73 56.82 2i8a s ARG 4091Cb -0.20 -3.36 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2i8a s ARG 4091CO -0.03 0.28 -0.15 -1.50 -0.81 0.00 0.00 175.30 173.08 2i8a s ILE 4092N -0.15 1.84 0.38 4.11 1.10 -1.19 -1.52 121.20 125.76 2i8a s ILE 4092Ca 0.42 -0.95 0.03 0.00 -0.51 0.00 0.00 60.65 59.65 2i8a s ILE 4092Cb -0.22 -1.77 -0.01 0.00 0.15 0.00 0.00 42.46 40.61 2i8a s ILE 4092CO 0.27 0.37 0.11 0.61 -2.11 0.00 0.00 174.94 174.19 2i8a n GLY 4093N 4.66 3.39 3.51 1.50 0.00 -0.15 -4.05 105.19 114.04 2i8a n GLY 4093Ca -0.18 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 2i8a n GLY 4093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2i8a s THR 4094N -2.85 2.96 0.08 2.61 -4.23 -1.26 -1.37 115.64 111.57 2i8a s THR 4094Ca 0.15 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 2i8a s THR 4094Cb 0.01 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.50 2i8a s THR 4094CO 0.11 0.10 0.29 0.28 -0.54 0.00 0.00 174.62 174.86 2i8a s THR 4095N -1.16 0.10 -0.28 3.99 -1.32 -0.05 -4.87 115.64 112.05 2i8a s THR 4095Ca 0.19 -0.83 -0.07 0.00 -1.21 0.00 0.00 61.69 59.76 2i8a s THR 4095Cb -0.11 -1.14 -0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2i8a s THR 4095CO 0.11 -0.46 0.08 -0.83 -2.21 0.00 0.00 174.62 171.31 2i8a s GLY 4096N -2.53 1.78 0.33 6.08 0.00 -1.10 -0.46 107.32 111.42 2i8a s GLY 4096Ca 0.01 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 2i8a s GLY 4096CO -0.08 0.62 0.94 0.00 0.00 0.00 0.00 173.10 174.57 2i8a s ALA 4097N 1.54 3.20 -0.43 3.20 0.00 -0.23 -1.04 121.76 128.00 2i8a s ALA 4097Ca 0.04 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2i8a s ALA 4097Cb -0.16 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2i8a s ALA 4097CO 0.03 0.17 0.70 0.44 0.00 0.00 0.00 175.76 177.10 2i8a n ILE 4098N 0.45 0.17 -3.82 0.00 -5.35 -0.24 0.43 119.36 110.99 2i8a n ILE 4098Ca 0.02 -0.59 -0.36 0.00 -0.27 0.00 0.00 62.75 61.56 2i8a n ILE 4098Cb 0.50 0.98 -0.08 0.00 -1.74 0.00 0.00 39.64 39.31 2i8a n ILE 4098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2i8a s GLN 4099N -0.42 3.92 0.50 6.28 -1.52 -1.24 -4.70 119.66 122.47 2i8a s GLN 4099Ca 0.05 -0.21 0.25 0.00 -1.95 0.00 0.00 55.36 53.50 2i8a s GLN 4099Cb 0.03 -3.31 1.33 0.00 -0.22 0.00 0.00 33.01 30.84 2i8a s GLN 4099CO 0.05 0.45 1.92 -1.00 -0.25 0.00 0.00 175.29 176.45 2i8a h PRO 4100N 6.14 0.12 -0.65 2.91 0.13 -1.96 -2.69 132.00 136.01 2i8a h PRO 4100Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2i8a h PRO 4100Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2i8a h PRO 4100CO 0.70 0.08 0.00 0.72 -0.23 0.00 0.00 178.00 179.27 2i8a n HIS 4101N -4.37 1.64 -4.05 1.56 8.25 -1.26 -4.81 115.22 112.19 2i8a n HIS 4101Ca 0.15 -0.63 -0.35 0.00 -0.26 0.00 0.00 57.72 56.64 2i8a n HIS 4101Cb 0.75 -0.31 -0.12 0.00 1.12 0.00 0.00 29.99 31.43 2i8a n HIS 4101CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2i8a s ILE 4102N -2.08 4.07 0.13 1.59 1.01 -1.02 -5.10 121.20 119.81 2i8a s ILE 4102Ca 0.52 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.90 2i8a s ILE 4102Cb 0.35 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2i8a s ILE 4102CO 0.22 0.42 0.29 0.20 0.00 0.00 0.00 174.94 176.08 2i8a s ASN 4103N 0.98 6.37 0.20 3.58 0.01 -1.26 -4.87 114.94 119.95 2i8a s ASN 4103Ca 0.02 0.28 -0.32 0.00 -0.71 0.00 0.00 52.86 52.12 2i8a s ASN 4103Cb -0.14 -1.96 -0.13 0.00 0.41 0.00 0.00 41.25 39.43 2i8a s ASN 4103CO 0.02 0.07 1.58 0.52 -1.51 0.00 0.00 177.10 177.78 2i8a n VAL 4104N -0.25 0.31 0.00 1.60 0.31 -1.26 -1.19 118.33 117.84 2i8a n VAL 4104Ca -0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2i8a n VAL 4104Cb 0.53 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2i8a n VAL 4104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2i8a n GLY 4105N 3.14 2.11 3.71 2.92 0.00 0.13 -5.00 105.19 112.21 2i8a n GLY 4105Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2i8a n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i8a s ASP 4106N -1.50 3.60 -0.15 1.61 -0.00 -0.33 -4.70 116.67 115.20 2i8a s ASP 4106Ca 0.00 2.08 -0.01 0.00 -0.00 0.00 0.00 52.55 54.62 2i8a s ASP 4106Cb 0.00 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.35 2i8a s ASP 4106CO 0.00 -2.65 -0.11 -0.69 -0.00 0.00 0.00 175.17 171.72 2i8a s VAL 4107N -2.68 3.14 -0.15 -1.27 1.01 -0.15 -1.19 120.40 119.11 2i8a s VAL 4107Ca 0.65 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2i8a s VAL 4107Cb -0.21 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2i8a s VAL 4107CO 0.56 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 175.32 2i8a s LEU 4108N 0.54 2.93 -0.20 3.92 1.43 -0.23 -1.38 118.68 125.69 2i8a s LEU 4108Ca -0.07 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 2i8a s LEU 4108Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2i8a s LEU 4108CO 0.04 0.15 0.04 -0.69 0.23 0.00 0.00 176.35 176.12 2i8a s VAL 4109N 0.44 4.35 -0.23 -1.59 1.01 0.69 -1.38 120.40 123.68 2i8a s VAL 4109Ca -0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2i8a s VAL 4109Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2i8a s VAL 4109CO 0.04 0.42 0.51 -0.89 0.00 0.00 0.00 175.10 175.18 2i8a s THR 4110N 0.84 5.09 0.04 3.92 2.01 -0.78 -1.82 115.64 124.95 2i8a s THR 4110Ca 0.02 0.91 -0.10 0.00 0.31 0.00 0.00 61.69 62.83 2i8a s THR 4110Cb -0.14 -3.83 -0.32 0.00 0.01 0.00 0.00 72.50 68.22 2i8a s THR 4110CO 0.02 0.14 1.03 0.71 -0.69 0.00 0.00 174.62 175.84 2i8a h THR 4111N 5.24 1.35 -2.76 -0.82 1.35 -1.52 -3.41 112.91 112.34 2i8a h THR 4111Ca -0.32 -2.85 0.07 0.00 -0.55 0.00 0.00 66.41 62.75 2i8a h THR 4111Cb 1.15 2.97 -0.10 0.00 -1.73 0.00 0.00 68.15 70.45 2i8a h THR 4111CO 0.73 0.85 0.31 0.00 -0.25 0.00 0.00 175.52 177.16 2i8a s ALA 4112N -2.62 -1.53 0.04 6.62 0.00 -1.26 -0.77 121.76 122.24 2i8a s ALA 4112Ca -0.07 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2i8a s ALA 4112Cb 0.06 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 2i8a s ALA 4112CO 0.91 -0.89 -0.18 0.45 0.00 0.00 0.00 175.76 176.06 2i8a s SER 4113N -2.79 2.08 0.01 0.00 0.15 0.01 -2.02 113.70 111.14 2i8a s SER 4113Ca 0.07 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 55.94 2i8a s SER 4113Cb -0.03 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 2i8a s SER 4113CO -0.03 0.11 1.28 -0.69 1.20 0.00 0.00 173.24 175.10 2i8a s VAL 4114N -0.79 3.96 -1.23 4.45 1.01 0.46 -4.33 120.40 123.94 2i8a s VAL 4114Ca 0.05 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.24 2i8a s VAL 4114Cb -0.08 -3.87 0.16 0.00 0.00 0.00 0.00 36.38 32.59 2i8a s VAL 4114CO 0.01 0.03 1.51 0.54 0.00 0.00 0.00 175.10 177.20 2i8a n ARG 4115N 4.82 3.35 -1.14 2.72 1.74 -1.26 -1.57 116.66 125.33 2i8a n ARG 4115Ca 0.11 -3.74 -0.24 0.00 -0.77 0.00 0.00 57.85 53.21 2i8a n ARG 4115Cb 0.45 -3.11 0.14 0.00 -1.02 0.00 0.00 32.46 28.92 2i8a n ARG 4115CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2i8a n LEU 4116N 5.95 6.65 -4.68 0.55 4.77 -0.06 -4.92 117.00 125.25 2i8a n LEU 4116Ca 0.39 -3.57 -0.30 0.00 -0.03 0.00 0.00 56.01 52.49 2i8a n LEU 4116Cb 0.43 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2i8a n LEU 4116CO 0.66 1.11 -0.25 1.51 -1.33 0.00 0.00 177.39 179.08 2i8a s ASP 4117N -1.15 3.76 -0.13 -1.43 3.84 -1.19 -1.19 116.67 119.18 2i8a s ASP 4117Ca 0.53 -1.60 0.06 0.00 -0.00 0.00 0.00 52.55 51.54 2i8a s ASP 4117Cb 0.44 0.34 -0.12 0.00 -1.38 0.00 0.00 42.92 42.19 2i8a s ASP 4117CO 0.07 -0.79 -0.03 0.61 -0.00 0.00 0.00 175.17 175.03 2i8a n GLY 4118N -1.12 -0.42 0.25 2.12 0.00 -1.26 -4.72 105.19 100.03 2i8a n GLY 4118Ca -0.14 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2i8a n GLY 4118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a h ALA 4119N 0.33 1.42 -0.69 4.61 0.00 -1.98 -2.30 119.26 120.65 2i8a h ALA 4119Ca -0.32 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.46 2i8a h ALA 4119Cb 1.63 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 2i8a h ALA 4119CO -0.01 0.40 0.46 0.66 0.00 0.00 0.00 179.25 180.76 2i8a h SER 4120N 0.31 0.51 0.54 0.00 4.64 -1.85 -0.53 113.55 117.17 2i8a h SER 4120Ca 0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2i8a h SER 4120Cb 0.41 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2i8a h SER 4120CO 0.02 0.31 0.00 0.18 -0.87 0.00 0.00 176.83 176.47 2i8a n LEU 4121N -4.49 0.43 -0.02 5.97 4.77 -0.86 -1.32 117.00 121.48 2i8a n LEU 4121Ca 0.11 0.62 0.15 0.00 -0.03 0.00 0.00 56.01 56.86 2i8a n LEU 4121Cb 0.35 -0.58 0.73 0.00 -2.33 0.00 0.00 43.42 41.59 2i8a n LEU 4121CO 0.33 -0.51 0.99 1.41 -1.33 0.00 0.00 177.39 178.28 2i8a n HIS 4122N -1.99 0.00 0.00 -1.77 8.25 -0.21 -4.04 115.22 115.46 2i8a n HIS 4122Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2i8a n HIS 4122Cb 0.18 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.03 2i8a n HIS 4122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2i8a n PHE 4123N -1.22 0.00 -3.63 4.41 3.01 -0.43 -5.08 117.46 114.51 2i8a n PHE 4123Ca 0.14 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.45 2i8a n PHE 4123Cb 0.25 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.64 2i8a n PHE 4123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i8a s ALA 4124N -1.93 -1.37 0.94 4.37 0.00 -0.79 -5.00 121.76 117.98 2i8a s ALA 4124Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2i8a s ALA 4124Cb 0.00 -0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.17 2i8a s ALA 4124CO 0.00 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 2i8a s PRO 4125N -1.03 0.89 0.60 0.00 0.04 -1.26 -3.97 135.00 130.27 2i8a s PRO 4125Ca -0.10 0.78 0.32 0.00 0.04 0.00 0.00 61.00 62.04 2i8a s PRO 4125Cb -0.02 -1.77 1.92 0.00 0.04 0.00 0.00 34.50 34.67 2i8a s PRO 4125CO 0.07 -2.49 2.28 1.98 0.04 0.00 0.00 177.00 178.88 2i8a h MET 4126N -1.73 0.00 0.00 4.56 4.05 -1.94 -1.33 114.93 118.54 2i8a h MET 4126Ca -0.51 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2i8a h MET 4126Cb 1.30 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 2i8a h MET 4126CO 0.54 0.00 -0.11 0.93 0.23 0.00 0.00 176.91 178.50 2i8a h GLU 4127N 0.00 0.00 -6.65 0.39 3.07 -2.03 -3.43 114.58 105.93 2i8a h GLU 4127Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 2i8a h GLU 4127Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2i8a h GLU 4127CO -0.00 0.11 0.61 0.12 -1.40 0.00 0.00 179.01 178.46 2i8a s PHE 4128N -3.77 3.33 0.10 4.33 2.19 -0.50 -4.99 117.98 118.67 2i8a s PHE 4128Ca -0.00 1.28 -0.30 0.00 0.33 0.00 0.00 56.93 58.24 2i8a s PHE 4128Cb 0.10 -3.53 -0.06 0.00 -1.31 0.00 0.00 43.02 38.23 2i8a s PHE 4128CO 0.58 -1.61 1.04 -1.25 1.83 0.00 0.00 175.22 175.81 2i8a s PRO 4129N 0.02 4.60 -1.18 10.12 0.04 -1.26 -4.94 135.00 142.40 2i8a s PRO 4129Ca 0.56 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 2i8a s PRO 4129Cb -0.34 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 2i8a s PRO 4129CO 0.36 0.04 1.96 0.00 0.04 0.00 0.00 177.00 179.41 2i8a n ALA 4130N 3.08 3.63 -2.71 8.56 0.00 -1.26 -4.75 120.51 127.06 2i8a n ALA 4130Ca 0.04 -3.53 -0.35 0.00 0.00 0.00 0.00 53.44 49.60 2i8a n ALA 4130Cb 0.48 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.26 2i8a n ALA 4130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i8a s VAL 4131N 5.67 4.17 0.64 0.00 0.11 -1.26 -0.81 120.40 128.93 2i8a s VAL 4131Ca 0.56 -0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 59.17 2i8a s VAL 4131Cb 0.08 -2.76 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 2i8a s VAL 4131CO 0.06 0.58 1.08 0.00 -3.33 0.00 0.00 175.10 173.49 2i8a s ALA 4132N -0.65 2.59 0.23 1.54 0.00 0.05 -4.64 121.76 120.89 2i8a s ALA 4132Ca 0.10 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 2i8a s ALA 4132Cb -0.12 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2i8a s ALA 4132CO 0.02 -1.10 1.40 0.34 0.00 0.00 0.00 175.76 176.43 2i8a s ASP 4133N -2.80 6.73 0.25 0.00 -1.08 -0.08 -4.94 116.67 114.74 2i8a s ASP 4133Ca 0.65 2.59 -0.06 0.00 -0.52 0.00 0.00 52.55 55.20 2i8a s ASP 4133Cb -0.18 -2.62 0.25 0.00 -1.46 0.00 0.00 42.92 38.91 2i8a s ASP 4133CO 0.41 -0.65 1.92 0.15 0.52 0.00 0.00 175.17 177.53 2i8a h PHE 4134N 5.16 1.24 -0.45 -5.34 3.57 -1.95 -1.53 116.94 117.64 2i8a h PHE 4134Ca -0.46 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 2i8a h PHE 4134Cb 1.22 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2i8a h PHE 4134CO 0.61 0.78 -0.21 0.00 -2.23 0.00 0.00 178.31 177.26 2i8a h ALA 4135N 1.36 0.78 -0.31 2.41 0.00 -1.95 -0.65 119.26 120.90 2i8a h ALA 4135Ca 0.36 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2i8a h ALA 4135Cb -0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2i8a h ALA 4135CO -0.08 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 2i8a h THR 4137N 0.36 1.17 -0.41 0.00 2.02 -1.21 -1.63 112.91 113.21 2i8a h THR 4137Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2i8a h THR 4137Cb 0.55 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2i8a h THR 4137CO 0.03 0.17 0.23 0.74 0.37 0.00 0.00 175.52 177.06 2i8a h THR 4138N 0.84 1.15 -0.91 3.16 2.02 -0.99 -1.50 112.91 116.68 2i8a h THR 4138Ca 0.22 -0.39 0.07 0.00 0.77 0.00 0.00 66.41 67.08 2i8a h THR 4138Cb -0.06 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 66.95 2i8a h THR 4138CO -0.05 0.16 0.57 0.00 0.37 0.00 0.00 175.52 176.57 2i8a h ALA 4139N 1.08 1.27 -0.30 6.16 0.00 -0.77 -0.71 119.26 125.99 2i8a h ALA 4139Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2i8a h ALA 4139Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2i8a h ALA 4139CO -0.02 0.30 -0.48 -0.07 0.00 0.00 0.00 179.25 178.98 2i8a h LEU 4140N 1.01 0.94 -0.25 0.00 3.38 -0.93 -0.23 115.31 119.23 2i8a h LEU 4140Ca 0.41 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2i8a h LEU 4140Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2i8a h LEU 4140CO -0.19 1.28 0.07 0.58 0.09 0.00 0.00 178.44 180.26 2i8a h VAL 4141N 0.64 1.21 -0.80 1.22 2.07 -0.97 -1.24 116.25 118.38 2i8a h VAL 4141Ca 0.03 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2i8a h VAL 4141Cb 1.08 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 2i8a h VAL 4141CO 0.11 0.22 0.40 -0.33 0.02 0.00 0.00 177.57 177.98 2i8a h GLU 4142N 0.24 1.14 -0.28 1.57 5.08 -1.10 -2.51 114.58 118.72 2i8a h GLU 4142Ca 0.08 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2i8a h GLU 4142Cb 0.26 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2i8a h GLU 4142CO -0.00 0.87 -0.21 0.00 -1.00 0.00 0.00 179.01 178.67 2i8a h ALA 4143N 1.30 1.12 -0.43 3.43 0.00 -0.82 -2.42 119.26 121.44 2i8a h ALA 4143Ca 0.28 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2i8a h ALA 4143Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2i8a h ALA 4143CO -0.04 0.55 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 2i8a h ALA 4144N 1.32 1.14 -0.50 0.00 0.00 -0.79 -0.70 119.26 119.73 2i8a h ALA 4144Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2i8a h ALA 4144Cb 0.62 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2i8a h ALA 4144CO 0.04 0.55 0.02 0.87 0.00 0.00 0.00 179.25 180.74 2i8a h LYS 4145N 0.67 0.86 -0.47 0.00 1.57 -1.28 -0.92 116.57 117.00 2i8a h LYS 4145Ca 0.13 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 2i8a h LYS 4145Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2i8a h LYS 4145CO 0.02 0.89 0.11 1.03 -0.57 0.00 0.00 179.45 180.93 2i8a h SER 4146N 0.73 0.71 0.39 0.86 0.87 -0.93 -3.20 113.55 112.98 2i8a h SER 4146Ca 0.14 -0.23 -0.26 0.00 -1.23 0.00 0.00 61.79 60.21 2i8a h SER 4146Cb 0.48 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2i8a h SER 4146CO 0.02 0.76 -1.12 0.40 -0.53 0.00 0.00 176.83 176.36 2i8a h ILE 4147N 0.63 1.41 -1.89 2.23 5.03 -1.17 -3.50 117.51 120.24 2i8a h ILE 4147Ca 0.15 -2.67 0.00 0.00 -0.12 0.00 0.00 64.86 62.22 2i8a h ILE 4147Cb 0.33 2.67 0.00 0.00 -3.03 0.00 0.00 36.82 36.79 2i8a h ILE 4147CO 0.00 0.79 0.00 0.61 -0.68 0.00 0.00 178.15 178.87 2i8a n GLY 4148N 1.26 -1.83 3.36 5.37 0.00 -0.36 -5.10 105.19 107.89 2i8a n GLY 4148Ca -0.09 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 2i8a n GLY 4148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i8a s ALA 4149N 0.00 -1.20 -0.34 4.61 0.00 -1.20 -5.04 121.76 118.59 2i8a s ALA 4149Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 2i8a s ALA 4149Cb 0.00 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2i8a s ALA 4149CO 0.00 -0.32 1.32 0.99 0.00 0.00 0.00 175.76 177.76 2i8a s THR 4150N -1.33 4.08 -0.02 0.00 2.01 -1.26 -4.88 115.64 114.22 2i8a s THR 4150Ca -0.12 1.18 0.07 0.00 0.31 0.00 0.00 61.69 63.12 2i8a s THR 4150Cb -0.03 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2i8a s THR 4150CO 0.06 -0.59 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.29 2i8a s THR 4151N 4.68 1.78 0.04 -0.82 2.01 -1.26 -0.98 115.64 121.09 2i8a s THR 4151Ca 0.57 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.68 2i8a s THR 4151Cb -0.15 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 2i8a s THR 4151CO 0.26 0.50 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.51 2i8a s HIS 4152N -0.43 1.65 -0.10 4.92 3.76 -0.48 -4.99 115.29 119.62 2i8a s HIS 4152Ca 0.06 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2i8a s HIS 4152Cb -0.10 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.62 2i8a s HIS 4152CO -0.00 0.07 -0.14 0.08 -0.85 0.00 0.00 174.74 173.89 2i8a s VAL 4153N -0.78 1.41 -3.31 -0.90 1.01 -1.26 -0.23 120.40 116.35 2i8a s VAL 4153Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2i8a s VAL 4153Cb -0.08 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2i8a s VAL 4153CO 0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2i8a n GLY 4154N 4.14 -0.57 3.80 4.51 0.00 -0.76 -4.95 105.19 111.36 2i8a n GLY 4154Ca -0.19 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2i8a n GLY 4154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 4155N -3.68 4.60 0.04 1.61 1.01 -1.26 -1.24 120.40 121.47 2i8a s VAL 4155Ca 0.00 1.39 0.08 0.00 0.00 0.00 0.00 61.98 63.45 2i8a s VAL 4155Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2i8a s VAL 4155CO 0.00 0.54 -0.24 -0.89 0.00 0.00 0.00 175.10 174.52 2i8a s THR 4156N -1.13 2.35 -0.24 3.92 2.01 -0.85 -0.56 115.64 121.14 2i8a s THR 4156Ca 0.31 -1.29 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 2i8a s THR 4156Cb -0.21 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 2i8a s THR 4156CO 0.22 0.38 0.38 0.00 -0.69 0.00 0.00 174.62 174.91 2i8a s ALA 4157N -0.82 3.57 -0.29 7.40 0.00 0.29 -0.40 121.76 131.50 2i8a s ALA 4157Ca 0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2i8a s ALA 4157Cb -0.10 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.38 2i8a s ALA 4157CO 0.03 -0.47 0.04 0.45 0.00 0.00 0.00 175.76 175.80 2i8a s SER 4158N 1.33 4.92 -0.05 0.00 0.15 -0.61 -1.72 113.70 117.73 2i8a s SER 4158Ca 0.17 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 55.91 2i8a s SER 4158Cb -0.15 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 2i8a s SER 4158CO 0.09 -0.21 -0.10 -0.55 1.20 0.00 0.00 173.24 173.66 2i8a s SER 4159N 1.40 4.35 0.00 5.45 0.15 0.18 -0.89 113.70 124.34 2i8a s SER 4159Ca -0.00 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 56.76 2i8a s SER 4159Cb -0.18 -1.00 1.29 0.00 -1.71 0.00 0.00 66.02 64.42 2i8a s SER 4159CO 0.00 0.34 1.78 0.47 1.20 0.00 0.00 173.24 177.04 2i8a n ASP 4160N 2.15 0.00 -4.11 5.45 10.43 -0.33 -4.34 116.55 125.80 2i8a n ASP 4160Ca -0.17 -0.33 -0.13 0.00 2.57 0.00 0.00 54.79 56.72 2i8a n ASP 4160Cb 0.53 -0.17 -0.11 0.00 1.84 0.00 0.00 41.12 43.20 2i8a n ASP 4160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2i8a s THR 4161N -2.34 0.68 0.10 -3.53 -4.23 -1.26 -5.02 115.64 100.04 2i8a s THR 4161Ca 0.28 -1.37 0.08 0.00 -1.18 0.00 0.00 61.69 59.49 2i8a s THR 4161Cb 0.16 -1.00 -0.21 0.00 1.34 0.00 0.00 72.50 72.79 2i8a s THR 4161CO 0.32 -0.50 1.19 0.15 -0.54 0.00 0.00 174.62 175.24 2i8a h PHE 4162N 4.00 0.01 0.00 3.99 3.04 -1.97 -3.38 116.94 122.63 2i8a h PHE 4162Ca -0.36 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.58 2i8a h PHE 4162Cb 1.19 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2i8a h PHE 4162CO 0.63 1.01 0.00 0.66 -2.02 0.00 0.00 178.31 178.59 2i8a n TYR 4163N -3.31 0.00 0.11 0.41 4.02 -1.26 -4.40 117.16 112.73 2i8a n TYR 4163Ca -0.02 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.87 2i8a n TYR 4163Cb 0.96 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.60 2i8a n TYR 4163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2i8a h PRO 4164N 0.00 0.22 0.00 -0.72 0.13 -1.86 -0.43 132.00 129.33 2i8a h PRO 4164Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2i8a h PRO 4164Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 2i8a h PRO 4164CO 0.00 0.46 0.00 0.78 -0.23 0.00 0.00 178.00 179.01 2i8a h GLY 4165N 0.95 0.00 -2.30 1.56 0.00 -1.87 -0.64 103.07 100.77 2i8a h GLY 4165Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2i8a h GLY 4165CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 2i8a n GLN 4166N -3.05 3.59 -4.09 4.80 6.02 -0.97 -4.93 117.38 118.74 2i8a n GLN 4166Ca -0.00 -2.88 -0.34 0.00 -0.01 0.00 0.00 57.00 53.78 2i8a n GLN 4166Cb 0.25 -1.92 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 2i8a n GLN 4166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2i8a n GLU 4167N 0.09 -1.40 -3.34 -1.09 2.13 -0.25 -4.92 120.64 111.87 2i8a n GLU 4167Ca 0.23 0.21 -0.38 0.00 0.66 0.00 0.00 57.16 57.87 2i8a n GLU 4167Cb 0.94 -3.61 -0.06 0.00 0.27 0.00 0.00 31.44 28.98 2i8a n GLU 4167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2i8a s ARG 4168N -7.03 4.17 0.00 5.31 0.52 -0.21 -4.98 118.95 116.73 2i8a s ARG 4168Ca 0.18 0.58 0.08 0.00 -0.52 0.00 0.00 55.73 56.04 2i8a s ARG 4168Cb -0.09 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.03 2i8a s ARG 4168CO 0.95 0.49 0.42 0.66 0.02 0.00 0.00 175.30 177.83 2i8a n TYR 4169N 2.40 0.00 -0.84 -0.53 4.02 -1.26 -4.49 117.16 116.46 2i8a n TYR 4169Ca -0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.55 2i8a n TYR 4169Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 2i8a n TYR 4169CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2i8a n ASP 4170N -0.87 5.52 -4.35 7.72 10.43 -1.26 -4.42 116.55 129.31 2i8a n ASP 4170Ca 0.02 -2.35 -0.18 0.00 2.57 0.00 0.00 54.79 54.86 2i8a n ASP 4170Cb 0.14 -1.17 -0.10 0.00 1.84 0.00 0.00 41.12 41.83 2i8a n ASP 4170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2i8a s THR 4171N 2.98 0.99 0.20 -3.53 -4.23 -1.26 -5.03 115.64 105.76 2i8a s THR 4171Ca 0.46 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.82 2i8a s THR 4171Cb 0.13 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.70 2i8a s THR 4171CO -0.04 -0.22 1.65 0.22 -0.54 0.00 0.00 174.62 175.69 2i8a h TYR 4172N 2.40 -0.17 0.01 3.99 5.03 -1.99 -2.97 116.97 123.27 2i8a h TYR 4172Ca -0.39 0.05 -0.27 0.00 2.58 0.00 0.00 58.73 60.70 2i8a h TYR 4172Cb 1.23 0.17 -0.04 0.00 1.55 0.00 0.00 36.73 39.64 2i8a h TYR 4172CO 0.56 -0.20 -1.45 0.66 -1.32 0.00 0.00 178.16 176.41 2i8a h SER 4173N 0.05 0.05 -0.35 -2.11 4.64 -1.97 -3.48 113.55 110.38 2i8a h SER 4173Ca 0.29 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 2i8a h SER 4173Cb 0.46 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.47 2i8a h SER 4173CO -0.55 1.06 -0.14 0.61 -0.87 0.00 0.00 176.83 176.95 2i8a n GLY 4174N 1.50 0.92 3.26 -0.77 0.00 -1.13 -5.00 105.19 103.98 2i8a n GLY 4174Ca -0.11 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 2i8a n GLY 4174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2i8a s ARG 4175N -2.36 1.16 -0.02 1.61 1.70 -1.26 -4.94 118.95 114.83 2i8a s ARG 4175Ca 0.00 -1.56 0.01 0.00 -0.47 0.00 0.00 55.73 53.72 2i8a s ARG 4175Cb 0.00 -0.40 0.01 0.00 -0.57 0.00 0.00 34.95 33.99 2i8a s ARG 4175CO 0.00 -0.10 -0.04 0.08 -1.08 0.00 0.00 175.30 174.16 2i8a s VAL 4176N -3.56 0.41 0.65 4.99 1.01 -1.26 -4.92 120.40 117.72 2i8a s VAL 4176Ca 0.24 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.90 2i8a s VAL 4176Cb 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2i8a s VAL 4176CO 0.05 0.15 1.05 0.55 0.00 0.00 0.00 175.10 176.90 2i8a n VAL 4177N 3.46 3.90 -0.31 2.92 3.14 -1.26 -4.55 118.33 125.64 2i8a n VAL 4177Ca -0.19 -0.47 0.12 0.00 -2.96 0.00 0.00 64.34 60.83 2i8a n VAL 4177Cb 0.55 -1.23 0.26 0.00 -1.06 0.00 0.00 33.84 32.36 2i8a n VAL 4177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2i8a h ARG 4178N 0.30 0.09 -0.91 1.45 2.43 -2.01 0.09 114.38 115.82 2i8a h ARG 4178Ca -0.49 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 58.84 2i8a h ARG 4178Cb 1.35 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.81 2i8a h ARG 4178CO 0.50 0.06 0.59 -0.09 -1.51 0.00 0.00 179.97 179.52 2i8a h ARG 4179N 0.09 0.61 -0.01 0.20 2.43 -2.02 -2.47 114.38 113.21 2i8a h ARG 4179Ca 0.54 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2i8a h ARG 4179Cb 1.07 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2i8a h ARG 4179CO -0.77 0.40 -0.40 1.19 -1.51 0.00 0.00 179.97 178.88 2i8a n PHE 4180N -4.58 0.00 -1.77 2.20 3.01 -0.04 -4.76 117.46 111.53 2i8a n PHE 4180Ca 0.19 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.22 2i8a n PHE 4180Cb 0.54 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.98 2i8a n PHE 4180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2i8a s LYS 4181N -2.15 4.01 0.00 -1.08 1.02 -0.84 -1.68 119.74 119.02 2i8a s LYS 4181Ca 0.15 2.39 0.00 0.00 0.02 0.00 0.00 55.97 58.54 2i8a s LYS 4181Cb 0.15 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2i8a s LYS 4181CO 0.48 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 2i8a n GLY 4182N 4.60 0.60 0.23 -3.33 0.00 -1.26 -4.93 105.19 101.10 2i8a n GLY 4182Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 2i8a n GLY 4182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2i8a h SER 4183N 0.00 0.59 -0.33 1.61 4.64 -1.62 -2.93 113.55 115.51 2i8a h SER 4183Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2i8a h SER 4183Cb 0.03 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2i8a h SER 4183CO 0.00 0.90 0.22 -0.03 -0.87 0.00 0.00 176.83 177.05 2i8a h MET 4184N 0.48 0.43 -0.92 4.77 -1.53 -1.92 -0.70 114.93 115.55 2i8a h MET 4184Ca 0.05 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.33 2i8a h MET 4184Cb 0.84 -0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 31.74 2i8a h MET 4184CO 0.07 0.29 0.60 0.93 0.14 0.00 0.00 176.91 178.94 2i8a h GLU 4185N 0.45 1.08 -0.05 0.39 5.08 -1.97 -0.85 114.58 118.71 2i8a h GLU 4185Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2i8a h GLU 4185Cb -0.05 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.96 2i8a h GLU 4185CO -0.03 0.72 0.01 0.93 -1.00 0.00 0.00 179.01 179.64 2i8a h GLU 4186N 1.11 0.08 -0.67 2.33 5.08 -1.14 -1.56 114.58 119.82 2i8a h GLU 4186Ca 0.38 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 2i8a h GLU 4186Cb 0.09 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2i8a h GLU 4186CO -0.13 0.30 0.23 -1.49 -1.00 0.00 0.00 179.01 176.92 2i8a h TRP 4187N -0.16 1.03 -0.40 4.33 -0.00 -0.89 -2.41 115.95 117.47 2i8a h TRP 4187Ca 0.01 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2i8a h TRP 4187Cb 0.26 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 2i8a h TRP 4187CO 0.01 0.81 0.26 0.37 -0.00 0.00 0.00 178.44 179.89 2i8a h GLN 4188N 0.98 0.51 0.00 0.49 4.15 -1.07 -0.90 115.11 119.28 2i8a h GLN 4188Ca 0.22 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2i8a h GLN 4188Cb 0.25 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 2i8a h GLN 4188CO -0.01 0.34 -0.11 0.00 -1.93 0.00 0.00 178.83 177.12 2i8a h ALA 4189N 1.15 1.58 -0.06 3.38 0.00 -1.06 -2.10 119.26 122.15 2i8a h ALA 4189Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2i8a h ALA 4189Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2i8a h ALA 4189CO -0.04 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 2i8a n MET 4190N -4.05 1.61 -0.84 0.00 2.81 -0.64 -4.93 117.12 111.08 2i8a n MET 4190Ca -0.02 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.97 2i8a n MET 4190Cb 0.19 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 2i8a n MET 4190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2i8a n GLY 4191N 1.13 0.56 3.75 3.03 0.00 -0.79 -5.02 105.19 107.85 2i8a n GLY 4191Ca 0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2i8a n GLY 4191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2i8a s VAL 4192N -2.00 2.54 0.02 1.61 1.01 -0.43 -4.63 120.40 118.52 2i8a s VAL 4192Ca 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 2i8a s VAL 4192Cb 0.00 -3.29 -0.31 0.00 0.00 0.00 0.00 36.38 32.77 2i8a s VAL 4192CO 0.00 0.08 0.95 0.24 0.00 0.00 0.00 175.10 176.37 2i8a h MET 4193N 4.82 0.39 -2.58 2.72 0.00 -1.16 -3.42 114.93 115.70 2i8a h MET 4193Ca -0.46 -0.66 0.10 0.00 0.00 0.00 0.00 59.70 58.67 2i8a h MET 4193Cb 1.22 0.25 -0.10 0.00 0.00 0.00 0.00 31.60 32.97 2i8a h MET 4193CO 0.77 1.30 0.39 0.54 0.00 0.00 0.00 176.91 179.90 2i8a s ASN 4194N -7.30 -0.31 -0.08 1.22 4.22 -1.26 -1.08 114.94 110.34 2i8a s ASN 4194Ca -0.09 -0.27 -0.01 0.00 -2.14 0.00 0.00 52.86 50.35 2i8a s ASN 4194Cb 0.06 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 2i8a s ASN 4194CO 0.90 -0.93 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.68 2i8a s TYR 4195N -3.46 3.05 0.00 1.54 2.02 -0.21 -0.55 117.35 119.74 2i8a s TYR 4195Ca 0.08 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2i8a s TYR 4195Cb -0.02 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 2i8a s TYR 4195CO -0.02 0.37 0.00 -0.85 -1.57 0.00 0.00 175.55 173.47 2i8a n GLU 4196N 2.29 0.00 0.00 -0.62 -0.00 -0.70 -2.72 120.64 118.89 2i8a n GLU 4196Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2i8a n GLU 4196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2i8a n GLU 4196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2i8a n MET 4197N 0.00 0.37 0.00 3.44 2.81 -1.26 -0.64 117.12 121.84 2i8a n MET 4197Ca 0.00 -0.25 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 2i8a n MET 4197Cb 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 2i8a n MET 4197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2i8a n GLU 4198N -0.13 2.48 -0.04 0.03 4.71 -1.26 -3.33 120.64 123.11 2i8a n GLU 4198Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2i8a n GLU 4198Cb 0.07 -0.74 0.07 0.00 -1.01 0.00 0.00 31.44 29.82 2i8a n GLU 4198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2i8a h SER 4199N 0.00 0.71 -0.72 1.62 4.64 -1.94 -2.05 113.55 115.81 2i8a h SER 4199Ca 0.00 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2i8a h SER 4199Cb 0.00 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2i8a h SER 4199CO 0.00 1.04 0.42 0.00 -0.87 0.00 0.00 176.83 177.41 2i8a h ALA 4200N 1.00 0.92 -0.03 5.18 0.00 -1.87 0.17 119.26 124.63 2i8a h ALA 4200Ca 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2i8a h ALA 4200Cb 0.94 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2i8a h ALA 4200CO 0.09 0.40 -0.00 1.15 0.00 0.00 0.00 179.25 180.89 2i8a h THR 4201N 0.98 1.27 0.17 0.00 2.02 -1.90 -1.68 112.91 113.77 2i8a h THR 4201Ca 0.26 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.63 2i8a h THR 4201Cb -0.01 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2i8a h THR 4201CO -0.05 0.22 -0.18 0.25 0.37 0.00 0.00 175.52 176.13 2i8a h LEU 4202N -0.28 -0.48 -0.63 2.58 5.85 -1.06 -0.02 115.31 121.27 2i8a h LEU 4202Ca 0.01 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2i8a h LEU 4202Cb 0.35 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2i8a h LEU 4202CO 0.00 -0.27 0.23 -0.07 -0.34 0.00 0.00 178.44 177.99 2i8a h LEU 4203N -0.38 0.90 -0.16 2.25 3.38 -0.72 -2.06 115.31 118.51 2i8a h LEU 4203Ca 0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2i8a h LEU 4203Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2i8a h LEU 4203CO -0.05 0.84 -0.08 0.74 0.09 0.00 0.00 178.44 179.98 2i8a h THR 4204N 0.90 1.31 -0.15 0.22 2.02 -1.16 -0.20 112.91 115.85 2i8a h THR 4204Ca 0.21 -1.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 2i8a h THR 4204Cb 0.25 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2i8a h THR 4204CO -0.01 0.34 -0.22 0.00 0.37 0.00 0.00 175.52 176.00 2i8a h MET 4205N 0.02 0.25 0.01 6.66 -0.00 -0.97 -1.84 114.93 119.07 2i8a h MET 4205Ca 0.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.70 59.65 2i8a h MET 4205Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2i8a h MET 4205CO 0.02 0.47 -0.05 0.00 -0.00 0.00 0.00 176.91 177.36 2i8a h ALA 4207N 0.08 1.56 -0.02 0.00 0.00 -0.95 -1.77 119.26 118.16 2i8a h ALA 4207Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2i8a h ALA 4207Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2i8a h ALA 4207CO 0.01 0.07 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 2i8a n SER 4208N -3.96 2.18 -0.09 0.00 3.41 -0.70 -4.40 113.62 110.05 2i8a n SER 4208Ca -0.03 -1.73 0.02 0.00 -0.26 0.00 0.00 58.87 56.87 2i8a n SER 4208Cb 0.14 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2i8a n SER 4208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i8a n GLN 4209N 0.71 1.17 -1.60 4.33 6.02 -0.74 -5.01 117.38 122.25 2i8a n GLN 4209Ca 0.17 -1.22 -0.05 0.00 -0.01 0.00 0.00 57.00 55.89 2i8a n GLN 4209Cb 0.47 -0.81 -0.01 0.00 1.02 0.00 0.00 30.24 30.90 2i8a n GLN 4209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2i8a n GLY 4210N -0.38 0.48 3.63 1.08 0.00 -1.03 -5.03 105.19 103.93 2i8a n GLY 4210Ca 0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 2i8a n GLY 4210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2i8a s LEU 4211N -1.29 3.19 -0.18 0.99 1.43 -0.74 -5.06 118.68 117.02 2i8a s LEU 4211Ca 0.00 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.58 2i8a s LEU 4211Cb 0.00 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2i8a s LEU 4211CO 0.00 0.11 0.15 -0.13 0.23 0.00 0.00 176.35 176.71 2i8a s ARG 4212N -2.74 4.04 0.03 1.70 0.52 -0.09 -4.04 118.95 118.36 2i8a s ARG 4212Ca 0.26 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2i8a s ARG 4212Cb -0.10 -3.37 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 2i8a s ARG 4212CO 0.17 0.40 -0.06 0.00 0.02 0.00 0.00 175.30 175.82 2i8a s ALA 4213N 0.07 0.43 0.17 2.13 0.00 -1.26 -0.14 121.76 123.15 2i8a s ALA 4213Ca 0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2i8a s ALA 4213Cb -0.11 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2i8a s ALA 4213CO -0.00 -0.05 0.16 0.20 0.00 0.00 0.00 175.76 176.07 2i8a s GLY 4214N -1.44 0.97 -0.11 0.00 0.00 -0.54 -0.90 107.32 105.30 2i8a s GLY 4214Ca -0.11 -1.36 -0.05 0.00 0.00 0.00 0.00 44.72 43.21 2i8a s GLY 4214CO -0.00 -1.19 0.23 -0.29 0.00 0.00 0.00 173.10 171.85 2i8a s MET 4215N -4.06 0.15 0.02 2.90 1.75 -1.26 -1.29 119.30 117.50 2i8a s MET 4215Ca 0.27 0.62 0.03 0.00 -1.25 0.00 0.00 55.69 55.35 2i8a s MET 4215Cb 0.06 -0.11 -0.01 0.00 2.84 0.00 0.00 34.83 37.60 2i8a s MET 4215CO 0.05 -0.24 -0.09 0.54 -0.65 0.00 0.00 175.02 174.63 2i8a s VAL 4216N 1.89 0.72 0.02 10.11 0.11 -0.58 -1.87 120.40 130.80 2i8a s VAL 4216Ca -0.03 -0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 58.27 2i8a s VAL 4216Cb -0.11 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 2i8a s VAL 4216CO -0.08 -0.02 0.06 0.00 -3.33 0.00 0.00 175.10 171.73 2i8a s ALA 4217N -0.68 -0.08 -0.11 1.54 0.00 -0.48 -0.98 121.76 120.98 2i8a s ALA 4217Ca -0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2i8a s ALA 4217Cb -0.06 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2i8a s ALA 4217CO 0.00 -0.21 0.29 0.20 0.00 0.00 0.00 175.76 176.04 2i8a s GLY 4218N -1.58 2.27 -0.27 0.00 0.00 -0.47 -1.07 107.32 106.20 2i8a s GLY 4218Ca -0.13 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 2i8a s GLY 4218CO -0.01 0.16 1.15 0.14 0.00 0.00 0.00 173.10 174.55 2i8a s VAL 4219N -0.29 4.41 -0.62 1.40 1.01 -0.33 -0.87 120.40 125.10 2i8a s VAL 4219Ca 0.18 1.65 0.15 0.00 0.00 0.00 0.00 61.98 63.95 2i8a s VAL 4219Cb -0.14 -4.27 -0.17 0.00 0.00 0.00 0.00 36.38 31.81 2i8a s VAL 4219CO 0.06 -0.37 0.59 2.30 0.00 0.00 0.00 175.10 177.69 2i8a n ILE 4220N 5.77 0.00 -3.60 2.22 -5.35 0.40 -0.69 119.36 118.11 2i8a n ILE 4220Ca 0.13 -0.17 -0.16 0.00 -0.27 0.00 0.00 62.75 62.28 2i8a n ILE 4220Cb 0.46 0.91 -0.06 0.00 -1.74 0.00 0.00 39.64 39.20 2i8a n ILE 4220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2i8a s VAL 4221N -2.47 0.02 -0.26 7.28 0.11 -1.23 -4.62 120.40 119.23 2i8a s VAL 4221Ca 0.04 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 2i8a s VAL 4221Cb 0.11 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 2i8a s VAL 4221CO 0.61 -0.10 0.04 0.21 -3.33 0.00 0.00 175.10 172.53 2i8a s ASN 4222N -1.44 4.90 0.14 3.54 3.84 -1.26 -1.06 114.94 123.59 2i8a s ASN 4222Ca -0.10 -0.47 0.21 0.00 0.21 0.00 0.00 52.86 52.71 2i8a s ASN 4222Cb -0.01 -1.85 0.86 0.00 -0.55 0.00 0.00 41.25 39.70 2i8a s ASN 4222CO 0.05 -0.10 1.66 0.54 -2.79 0.00 0.00 177.10 176.47 2i8a n ARG 4223N 4.86 0.12 0.10 0.43 5.12 0.17 -1.46 116.66 126.00 2i8a n ARG 4223Ca -0.16 0.30 0.13 0.00 -1.93 0.00 0.00 57.85 56.19 2i8a n ARG 4223Cb 0.50 -1.70 0.44 0.00 -1.16 0.00 0.00 32.46 30.53 2i8a n ARG 4223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2i8a n THR 4224N -1.92 0.57 -0.03 0.55 -2.24 -1.26 -4.00 114.28 105.94 2i8a n THR 4224Ca 0.03 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2i8a n THR 4224Cb 0.25 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.78 2i8a n THR 4224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i8a n GLN 4225N -2.17 2.86 -3.63 -0.78 1.13 -0.71 -5.09 117.38 108.99 2i8a n GLN 4225Ca 0.05 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 2i8a n GLN 4225Cb 0.39 -1.14 -0.07 0.00 0.11 0.00 0.00 30.24 29.53 2i8a n GLN 4225CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2i8a s GLN 4226N -2.13 0.82 -0.23 -1.09 0.74 -0.53 -5.08 119.66 112.15 2i8a s GLN 4226Ca -0.03 0.51 -0.16 0.00 0.05 0.00 0.00 55.36 55.74 2i8a s GLN 4226Cb 0.02 0.39 -0.17 0.00 1.10 0.00 0.00 33.01 34.34 2i8a s GLN 4226CO 0.22 -0.18 0.01 -1.91 -0.55 0.00 0.00 175.29 172.88 2i8a n GLU 4227N 1.94 0.60 -3.72 1.67 2.13 -1.26 -3.74 120.64 118.27 2i8a n GLU 4227Ca -0.17 0.40 -0.37 0.00 0.66 0.00 0.00 57.16 57.69 2i8a n GLU 4227Cb 0.56 -1.64 -0.10 0.00 0.27 0.00 0.00 31.44 30.53 2i8a n GLU 4227CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2i8a s ILE 4228N -2.45 5.08 0.76 6.31 2.07 -1.26 -4.99 121.20 126.72 2i8a s ILE 4228Ca -0.32 0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 58.86 2i8a s ILE 4228Cb 0.09 -3.37 0.04 0.00 0.13 0.00 0.00 42.46 39.35 2i8a s ILE 4228CO 0.58 0.34 1.05 -2.65 -1.91 0.00 0.00 174.94 172.35 2i8a n PRO 4229N 4.45 0.38 -1.59 3.50 -0.02 -1.26 -5.07 135.00 135.39 2i8a n PRO 4229Ca -0.15 0.19 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 2i8a n PRO 4229Cb 0.52 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2i8a n PRO 4229CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2i8a n ASN 4230N -2.29 1.13 0.00 2.55 6.94 -1.26 -5.12 115.26 117.21 2i8a n ASN 4230Ca 0.13 1.09 0.00 0.00 -0.02 0.00 0.00 54.58 55.79 2i8a n ASN 4230Cb 0.50 -1.31 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 2i8a n ASN 4230CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2i8a n GLU 4238N 0.46 0.00 0.03 -3.83 0.28 -1.26 -4.25 120.64 112.07 2i8a n GLU 4238Ca 0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.87 2i8a n GLU 4238Cb 0.36 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.09 2i8a n GLU 4238CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 2i8a h SER 4239N 0.00 0.47 -0.32 -1.84 0.02 -1.99 -3.06 113.55 106.84 2i8a h SER 4239Ca 0.00 -0.90 0.07 0.00 -0.84 0.00 0.00 61.79 60.12 2i8a h SER 4239Cb 0.00 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 2i8a h SER 4239CO 0.00 1.74 -0.14 0.45 -1.14 0.00 0.00 176.83 177.74 2i8a h HIS 4240N -0.08 -0.34 -0.68 3.45 3.86 -1.96 -0.41 115.15 118.99 2i8a h HIS 4240Ca -0.35 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 58.95 2i8a h HIS 4240Cb 1.95 0.20 -0.06 0.00 1.06 0.00 0.00 27.41 30.56 2i8a h HIS 4240CO 0.10 -0.21 0.38 0.00 0.86 0.00 0.00 177.93 179.06 2i8a h ALA 4241N 1.16 0.92 -0.30 2.45 0.00 -1.92 -0.81 119.26 120.76 2i8a h ALA 4241Ca 0.16 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2i8a h ALA 4241Cb 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2i8a h ALA 4241CO -0.38 0.07 -0.50 0.28 0.00 0.00 0.00 179.25 178.72 2i8a h VAL 4242N 0.71 1.28 -0.32 0.00 2.07 -1.36 -1.85 116.25 116.77 2i8a h VAL 4242Ca 0.31 -1.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.08 2i8a h VAL 4242Cb 0.19 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2i8a h VAL 4242CO -0.18 0.55 -0.01 0.11 0.02 0.00 0.00 177.57 178.06 2i8a h LYS 4243N 0.66 0.50 -0.34 1.57 1.57 -0.68 -2.62 116.57 117.24 2i8a h LYS 4243Ca 0.03 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2i8a h LYS 4243Cb 1.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 2i8a h LYS 4243CO 0.11 0.54 -0.05 0.82 -0.57 0.00 0.00 179.45 180.30 2i8a h ILE 4244N 0.48 1.27 -0.33 1.86 2.04 -0.93 -1.02 117.51 120.89 2i8a h ILE 4244Ca 0.10 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 2i8a h ILE 4244Cb 0.33 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2i8a h ILE 4244CO 0.01 0.35 -0.14 1.62 0.00 0.00 0.00 178.15 179.99 2i8a h VAL 4245N 0.42 1.25 -0.18 1.67 3.04 -1.12 0.12 116.25 121.46 2i8a h VAL 4245Ca 0.09 -1.11 -0.04 0.00 -1.01 0.00 0.00 66.70 64.63 2i8a h VAL 4245Cb 0.53 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 2i8a h VAL 4245CO 0.03 0.37 -0.04 0.58 -1.01 0.00 0.00 177.57 177.50 2i8a h VAL 4246N 0.54 1.28 -0.88 1.51 2.07 -1.42 -1.47 116.25 117.88 2i8a h VAL 4246Ca 0.09 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2i8a h VAL 4246Cb 0.55 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2i8a h VAL 4246CO 0.04 0.30 0.49 -0.08 0.02 0.00 0.00 177.57 178.33 2i8a h GLU 4247N 0.05 1.22 -0.44 1.57 4.57 -0.85 -2.33 114.58 118.37 2i8a h GLU 4247Ca 0.05 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2i8a h GLU 4247Cb 0.47 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2i8a h GLU 4247CO 0.02 0.89 0.16 0.00 -1.18 0.00 0.00 179.01 178.89 2i8a h ALA 4248N 1.31 0.57 -0.89 2.92 0.00 -0.72 -2.71 119.26 119.75 2i8a h ALA 4248Ca 0.31 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.21 2i8a h ALA 4248Cb 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.54 2i8a h ALA 4248CO -0.05 0.20 0.48 0.00 0.00 0.00 0.00 179.25 179.88 2i8a h ALA 4249N 1.01 1.37 -1.01 0.00 0.00 -0.91 -0.56 119.26 119.15 2i8a h ALA 4249Ca 0.14 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.29 2i8a h ALA 4249Cb 0.23 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2i8a h ALA 4249CO -0.01 -0.06 0.62 0.00 0.00 0.00 0.00 179.25 179.81 2i8a h ARG 4250N 0.68 0.87 0.00 0.00 3.08 -1.09 -1.62 114.38 116.30 2i8a h ARG 4250Ca 0.49 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2i8a h ARG 4250Cb 0.69 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2i8a h ARG 4250CO -0.36 0.58 -0.09 0.54 -1.07 0.00 0.00 179.97 179.56 2i8a n ARG 4251N -4.68 0.17 0.00 0.04 1.74 -0.26 -3.51 116.66 110.15 2i8a n ARG 4251Ca 0.21 0.12 0.09 0.00 -0.77 0.00 0.00 57.85 57.51 2i8a n ARG 4251Cb 0.45 -1.68 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 2i8a n ARG 4251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2i8a n LEU 4252N -1.98 2.51 -0.20 0.55 4.77 -0.64 -5.05 117.00 116.97 2i8a n LEU 4252Ca 0.06 -0.99 0.15 0.00 -0.03 0.00 0.00 56.01 55.20 2i8a n LEU 4252Cb 0.40 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.26 2i8a n LEU 4252CO 0.30 0.44 1.01 0.18 -1.33 0.00 0.00 177.39 177.99