#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s8f s ALA 4000N 0.00 3.57 -0.34 4.61 0.00 -1.26 -4.92 121.76 123.41 1s8f s ALA 4000Ca 0.00 1.20 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 1s8f s ALA 4000Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.64 1s8f s ALA 4000CO 0.00 -0.62 0.13 -1.64 0.00 0.00 0.00 175.76 173.63 1s8f s MET 4001N -0.23 2.83 0.29 0.00 -1.94 -1.26 -4.95 119.30 114.04 1s8f s MET 4001Ca 0.58 -1.05 -0.30 0.00 -1.71 0.00 0.00 55.69 53.21 1s8f s MET 4001Cb -0.39 -3.52 -0.11 0.00 2.01 0.00 0.00 34.83 32.83 1s8f s MET 4001CO 0.40 -0.61 1.55 0.00 -0.01 0.00 0.00 175.02 176.36 1s8f s ALA 4002N 1.48 3.71 0.00 3.03 0.00 -1.26 -1.96 121.76 126.76 1s8f s ALA 4002Ca 0.01 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1s8f s ALA 4002Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1s8f s ALA 4002CO 0.04 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1s8f n GLY 4003N 2.11 1.86 3.79 0.00 0.00 0.31 -4.91 105.19 108.36 1s8f n GLY 4003Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1s8f n GLY 4003CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s8f s LYS 4004N -0.72 4.32 -0.13 1.61 2.20 -0.83 -4.86 119.74 121.34 1s8f s LYS 4004Ca 0.00 1.31 -0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1s8f s LYS 4004Cb 0.00 -2.50 -0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1s8f s LYS 4004CO 0.00 0.03 -0.12 -1.12 -0.36 0.00 0.00 175.35 173.78 1s8f s SER 4005N -1.80 4.10 0.09 1.43 0.01 -1.26 -0.04 113.70 116.23 1s8f s SER 4005Ca 0.57 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 57.56 1s8f s SER 4005Cb -0.16 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 1s8f s SER 4005CO 0.21 0.17 -0.08 -0.44 0.41 0.00 0.00 173.24 173.51 1s8f s SER 4006N 0.31 1.26 -0.22 2.44 0.01 0.17 -4.97 113.70 112.69 1s8f s SER 4006Ca -0.10 -0.84 -0.01 0.00 1.31 0.00 0.00 55.95 56.31 1s8f s SER 4006Cb -0.16 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1s8f s SER 4006CO 0.05 -0.33 -0.11 -0.22 0.41 0.00 0.00 173.24 173.05 1s8f s LEU 4007N -2.54 2.78 -0.12 2.44 2.96 -1.26 -0.28 118.68 122.66 1s8f s LEU 4007Ca 0.06 -0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1s8f s LEU 4007Cb -0.01 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 1s8f s LEU 4007CO -0.02 -0.06 -0.09 -0.36 -1.32 0.00 0.00 176.35 174.49 1s8f s PHE 4008N 1.33 2.88 -0.37 5.38 2.99 0.15 -4.96 117.98 125.38 1s8f s PHE 4008Ca 0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 56.93 56.42 1s8f s PHE 4008Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 43.02 41.05 1s8f s PHE 4008CO -0.07 -0.02 0.44 0.21 -0.00 0.00 0.00 175.22 175.78 1s8f s LYS 4009N 0.01 3.43 -0.17 0.44 2.20 -1.26 -0.38 119.74 124.00 1s8f s LYS 4009Ca -0.02 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1s8f s LYS 4009Cb -0.14 -3.86 -0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1s8f s LYS 4009CO 0.04 -0.67 -0.07 0.08 -0.36 0.00 0.00 175.35 174.36 1s8f s VAL 4010N 2.19 3.35 0.08 4.02 1.01 0.35 0.11 120.40 131.51 1s8f s VAL 4010Ca 0.14 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1s8f s VAL 4010Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1s8f s VAL 4010CO 0.13 0.47 -0.17 0.27 0.00 0.00 0.00 175.10 175.80 1s8f s ILE 4011N 0.85 2.89 -0.09 2.22 -4.36 -0.50 -0.34 121.20 121.87 1s8f s ILE 4011Ca -0.02 -1.35 -0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1s8f s ILE 4011Cb -0.15 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1s8f s ILE 4011CO 0.01 0.20 -0.01 -0.76 0.24 0.00 0.00 174.94 174.62 1s8f s LEU 4012N -1.87 3.53 0.01 0.37 1.43 -0.51 -1.03 118.68 120.62 1s8f s LEU 4012Ca 0.17 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1s8f s LEU 4012Cb -0.11 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1s8f s LEU 4012CO 0.09 0.37 -0.21 -0.76 0.23 0.00 0.00 176.35 176.06 1s8f s LEU 4013N -0.81 2.10 0.00 1.79 1.43 -0.43 -4.48 118.68 118.28 1s8f s LEU 4013Ca 0.12 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1s8f s LEU 4013Cb -0.11 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1s8f s LEU 4013CO 0.02 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1s8f n GLY 4014N 2.20 2.41 3.70 -3.19 0.00 -1.26 -0.11 105.19 108.94 1s8f n GLY 4014Ca -0.16 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 1s8f n GLY 4014CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s8f s ASP 4015N 0.00 3.47 0.27 1.61 1.11 -1.26 -4.92 116.67 116.94 1s8f s ASP 4015Ca 0.00 2.26 -0.30 0.00 0.18 0.00 0.00 52.55 54.69 1s8f s ASP 4015Cb 0.00 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.29 1s8f s ASP 4015CO 0.00 -2.74 1.44 0.61 1.18 0.00 0.00 175.17 175.65 1s8f n GLY 4016N 0.26 0.89 1.76 0.21 0.00 -1.26 -2.58 105.19 104.46 1s8f n GLY 4016Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1s8f n GLY 4016CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s8f n GLY 4017N 1.92 1.78 0.05 -0.02 0.00 -1.26 -4.90 105.19 102.76 1s8f n GLY 4017Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1s8f n GLY 4017CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1s8f n VAL 4018N -2.00 1.11 0.00 1.61 0.24 -1.07 -4.84 118.33 113.38 1s8f n VAL 4018Ca 0.00 0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.62 1s8f n VAL 4018Cb 0.00 -1.17 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 1s8f n VAL 4018CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s8f n GLY 4019N -0.32 1.58 0.12 7.63 0.00 -1.26 -4.55 105.19 108.39 1s8f n GLY 4019Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1s8f n GLY 4019CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s8f h LYS 4020N 0.00 -0.20 -0.49 1.61 1.57 -1.90 0.69 116.57 117.85 1s8f h LYS 4020Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1s8f h LYS 4020Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1s8f h LYS 4020CO 0.00 -0.00 0.23 0.77 -0.57 0.00 0.00 179.45 179.88 1s8f h SER 4021N -0.37 0.64 -0.74 0.86 0.02 -1.96 -0.75 113.55 111.24 1s8f h SER 4021Ca -0.02 -0.13 0.10 0.00 -0.84 0.00 0.00 61.79 60.90 1s8f h SER 4021Cb 0.29 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.59 1s8f h SER 4021CO 0.04 0.59 0.38 0.28 -1.14 0.00 0.00 176.83 176.98 1s8f h SER 4022N 0.65 0.49 -0.44 3.07 0.02 -1.93 0.12 113.55 115.52 1s8f h SER 4022Ca 0.17 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1s8f h SER 4022Cb 0.12 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1s8f h SER 4022CO -0.02 0.27 0.08 -0.07 -1.14 0.00 0.00 176.83 175.95 1s8f h LEU 4023N 0.63 0.70 -0.47 5.07 3.38 0.02 0.35 115.31 124.99 1s8f h LEU 4023Ca 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1s8f h LEU 4023Cb 0.41 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1s8f h LEU 4023CO -0.28 0.78 0.31 0.24 0.09 0.00 0.00 178.44 179.58 1s8f h MET 4024N 0.60 0.62 -0.70 1.13 2.86 -0.42 -0.46 114.93 118.55 1s8f h MET 4024Ca 0.14 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1s8f h MET 4024Cb 0.37 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1s8f h MET 4024CO 0.01 0.41 0.25 -0.97 1.06 0.00 0.00 176.91 177.67 1s8f h ASN 4025N 0.64 0.99 0.11 1.22 -1.24 -0.45 -0.04 115.58 116.82 1s8f h ASN 4025Ca 0.17 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1s8f h ASN 4025Cb -0.07 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.72 1s8f h ASN 4025CO -0.04 0.92 -0.05 -0.09 -1.29 0.00 0.00 177.43 176.88 1s8f h ARG 4026N 1.01 -0.15 -0.33 6.67 9.65 0.06 -0.28 114.38 131.02 1s8f h ARG 4026Ca 0.23 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1s8f h ARG 4026Cb 0.26 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 1s8f h ARG 4026CO -0.01 -0.07 0.18 -0.92 2.80 0.00 0.00 179.97 181.95 1s8f h TYR 4027N -0.19 0.45 0.21 2.20 3.20 -0.84 0.11 116.97 122.11 1s8f h TYR 4027Ca -0.02 -0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.53 1s8f h TYR 4027Cb 0.15 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.30 1s8f h TYR 4027CO -0.06 0.36 -1.39 0.28 -1.64 0.00 0.00 178.16 175.71 1s8f h VAL 4028N 0.41 1.37 -0.08 1.81 2.07 -0.95 -3.36 116.25 117.52 1s8f h VAL 4028Ca 0.12 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1s8f h VAL 4028Cb 0.06 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1s8f h VAL 4028CO -0.02 0.84 0.00 0.35 0.02 0.00 0.00 177.57 178.76 1s8f n THR 4029N -3.65 0.20 -3.71 2.57 -2.24 -0.12 -4.99 114.28 102.33 1s8f n THR 4029Ca -0.14 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 1s8f n THR 4029Cb 1.08 1.08 0.05 0.00 -2.10 0.00 0.00 70.33 70.43 1s8f n THR 4029CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1s8f n ASN 4030N 0.58 -3.13 -3.54 3.42 3.02 0.37 -4.97 115.26 111.01 1s8f n ASN 4030Ca 0.07 -0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 53.76 1s8f n ASN 4030Cb 0.30 -4.30 -0.04 0.00 -0.61 0.00 0.00 39.78 35.13 1s8f n ASN 4030CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s8f s LYS 4031N -6.14 1.13 -0.23 3.52 -0.14 -1.23 -5.04 119.74 111.63 1s8f s LYS 4031Ca 0.29 -0.47 -0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1s8f s LYS 4031Cb -0.14 0.51 0.01 0.00 -1.68 0.00 0.00 37.83 36.54 1s8f s LYS 4031CO 0.79 -0.45 -0.08 0.12 -0.76 0.00 0.00 175.35 174.97 1s8f s PHE 4032N -3.36 2.98 0.00 3.18 5.36 -1.26 -2.91 117.98 121.97 1s8f s PHE 4032Ca -0.00 -1.40 0.00 0.00 -0.96 0.00 0.00 56.93 54.57 1s8f s PHE 4032Cb 0.00 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1s8f s PHE 4032CO -0.09 -0.69 0.00 -0.25 -1.46 0.00 0.00 175.22 172.73 1s8f n ASP 4033N 4.70 0.00 0.00 6.13 8.00 -1.26 -5.09 116.55 129.02 1s8f n ASP 4033Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1s8f n ASP 4033Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1s8f n ASP 4033CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s8f n LEU 4036N 0.00 0.00 -4.77 0.64 4.77 -1.26 -5.04 117.00 111.34 1s8f n LEU 4036Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1s8f n LEU 4036Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1s8f n LEU 4036CO 0.00 0.00 0.80 -0.36 -1.33 0.00 0.00 177.39 176.50 1s8f s PHE 4037N -2.00 2.79 -0.84 -1.77 0.40 -1.26 -4.94 117.98 110.37 1s8f s PHE 4037Ca 0.00 1.54 -0.23 0.00 -0.60 0.00 0.00 56.93 57.64 1s8f s PHE 4037Cb 0.00 -3.32 0.06 0.00 0.51 0.00 0.00 43.02 40.28 1s8f s PHE 4037CO 0.00 -1.49 1.23 -1.01 0.70 0.00 0.00 175.22 174.65 1s8f s HIS 4038N -1.68 2.60 0.18 0.36 3.76 -1.26 -4.99 115.29 114.26 1s8f s HIS 4038Ca 0.68 -0.64 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 1s8f s HIS 4038Cb -0.26 -4.51 -0.07 0.00 1.11 0.00 0.00 32.58 28.86 1s8f s HIS 4038CO 0.30 -1.83 0.54 0.95 -0.85 0.00 0.00 174.74 173.85 1s8f s THR 4039N 4.56 4.90 -0.08 1.30 -4.23 -1.26 -5.04 115.64 115.79 1s8f s THR 4039Ca 0.35 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.52 1s8f s THR 4039Cb -0.07 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.11 1s8f s THR 4039CO 0.02 0.12 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.57 1s8f s ILE 4040N -1.60 0.58 0.00 2.99 1.01 -1.26 -2.21 121.20 120.70 1s8f s ILE 4040Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.03 1s8f s ILE 4040Cb -0.13 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1s8f s ILE 4040CO 0.20 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1s8f n GLY 4041N 4.88 0.55 3.14 6.18 0.00 -0.48 -4.95 105.19 114.51 1s8f n GLY 4041Ca -0.12 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 1s8f n GLY 4041CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s8f s VAL 4042N 0.00 1.00 0.06 1.61 1.01 -1.26 -0.04 120.40 122.77 1s8f s VAL 4042Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1s8f s VAL 4042Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1s8f s VAL 4042CO 0.00 -0.21 -0.05 -1.83 0.00 0.00 0.00 175.10 173.01 1s8f s GLU 4043N -1.58 0.60 0.13 2.72 -1.05 -0.52 -4.80 118.70 114.20 1s8f s GLU 4043Ca -0.03 -1.05 -0.19 0.00 -0.15 0.00 0.00 54.97 53.56 1s8f s GLU 4043Cb -0.09 -0.02 0.05 0.00 -0.44 0.00 0.00 34.13 33.62 1s8f s GLU 4043CO 0.02 -0.04 0.47 -0.59 0.95 0.00 0.00 175.26 176.06 1s8f s PHE 4044N -2.88 -0.32 0.12 4.83 -0.12 -1.26 -1.68 117.98 116.67 1s8f s PHE 4044Ca 0.01 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.00 1s8f s PHE 4044Cb 0.00 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1s8f s PHE 4044CO -0.05 -0.74 -0.11 -0.51 -0.05 0.00 0.00 175.22 173.76 1s8f s LEU 4045N -2.72 2.45 -0.01 -1.99 1.43 -0.16 -4.98 118.68 112.69 1s8f s LEU 4045Ca 0.02 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.27 1s8f s LEU 4045Cb 0.01 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1s8f s LEU 4045CO -0.12 -0.25 -0.08 0.20 0.23 0.00 0.00 176.35 176.34 1s8f s ASN 4046N -2.69 4.55 -0.08 2.29 0.02 -1.26 -0.46 114.94 117.30 1s8f s ASN 4046Ca 0.10 -0.14 -0.03 0.00 -1.02 0.00 0.00 52.86 51.77 1s8f s ASN 4046Cb -0.02 -1.06 0.04 0.00 0.02 0.00 0.00 41.25 40.24 1s8f s ASN 4046CO 0.01 0.30 0.17 -0.75 0.02 0.00 0.00 177.10 176.85 1s8f s LYS 4047N -1.24 0.11 -0.13 -0.60 2.20 0.18 -5.00 119.74 115.27 1s8f s LYS 4047Ca 0.15 0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 56.09 1s8f s LYS 4047Cb -0.11 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.99 1s8f s LYS 4047CO 0.06 -0.17 0.18 -0.51 -0.36 0.00 0.00 175.35 174.54 1s8f s ASP 4048N 1.27 6.39 0.08 1.43 1.01 -1.26 0.79 116.67 126.36 1s8f s ASP 4048Ca -0.08 0.45 0.03 0.00 0.71 0.00 0.00 52.55 53.66 1s8f s ASP 4048Cb -0.11 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1s8f s ASP 4048CO -0.07 0.31 -0.09 -0.76 0.21 0.00 0.00 175.17 174.78 1s8f s LEU 4049N -0.51 2.38 -0.12 1.23 1.43 0.89 -4.98 118.68 119.00 1s8f s LEU 4049Ca 0.14 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 1s8f s LEU 4049Cb -0.12 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 45.89 1s8f s LEU 4049CO 0.03 -0.29 -0.22 -0.70 0.23 0.00 0.00 176.35 175.40 1s8f s GLU 4050N -2.64 3.06 -0.28 1.70 2.12 -1.26 -0.85 118.70 120.55 1s8f s GLU 4050Ca 0.02 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1s8f s GLU 4050Cb -0.03 -2.38 0.08 0.00 0.26 0.00 0.00 34.13 32.06 1s8f s GLU 4050CO -0.01 0.09 0.03 0.08 -0.54 0.00 0.00 175.26 174.91 1s8f s VAL 4051N 0.57 1.31 -1.41 3.70 1.01 0.57 -4.79 120.40 121.35 1s8f s VAL 4051Ca -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1s8f s VAL 4051Cb -0.17 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1s8f s VAL 4051CO 0.04 -0.42 0.58 0.47 0.00 0.00 0.00 175.10 175.76 1s8f n ASP 4052N 4.70 -1.18 0.00 3.32 8.00 -1.26 -1.08 116.55 129.05 1s8f n ASP 4052Ca -0.05 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1s8f n ASP 4052Cb 0.43 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 1s8f n ASP 4052CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s8f n GLY 4053N -1.79 2.03 3.70 0.44 0.00 -1.26 -4.18 105.19 104.13 1s8f n GLY 4053Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1s8f n GLY 4053CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s8f s HIS 4054N -3.46 3.44 -0.45 1.61 5.04 -0.24 -0.53 115.29 120.70 1s8f s HIS 4054Ca 0.00 0.68 -0.23 0.00 -1.54 0.00 0.00 55.06 53.97 1s8f s HIS 4054Cb 0.00 -2.47 0.03 0.00 0.04 0.00 0.00 32.58 30.17 1s8f s HIS 4054CO 0.00 0.12 0.77 -0.06 -2.34 0.00 0.00 174.74 173.22 1s8f s PHE 4055N 0.85 3.00 -0.24 3.88 0.08 0.95 -0.32 117.98 126.18 1s8f s PHE 4055Ca 0.20 0.12 -0.06 0.00 0.12 0.00 0.00 56.93 57.31 1s8f s PHE 4055Cb -0.14 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 1s8f s PHE 4055CO 0.07 -0.98 0.01 0.08 -0.10 0.00 0.00 175.22 174.31 1s8f s VAL 4056N 3.23 3.83 -0.27 -0.44 1.01 -0.03 0.43 120.40 128.16 1s8f s VAL 4056Ca 0.29 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1s8f s VAL 4056Cb -0.12 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1s8f s VAL 4056CO 0.22 0.37 0.18 -0.89 0.00 0.00 0.00 175.10 174.98 1s8f s THR 4057N 1.54 5.27 -0.25 3.92 2.01 0.61 -0.08 115.64 128.67 1s8f s THR 4057Ca 0.06 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 1s8f s THR 4057Cb -0.15 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 1s8f s THR 4057CO 0.00 0.27 0.22 -0.32 -0.69 0.00 0.00 174.62 174.11 1s8f s MET 4058N 1.61 4.05 -0.29 4.92 1.75 0.24 -0.67 119.30 130.90 1s8f s MET 4058Ca 0.07 -0.19 -0.10 0.00 -1.25 0.00 0.00 55.69 54.22 1s8f s MET 4058Cb -0.15 -3.58 -0.03 0.00 2.84 0.00 0.00 34.83 33.90 1s8f s MET 4058CO 0.09 -0.05 0.17 -1.14 -0.65 0.00 0.00 175.02 173.45 1s8f s GLN 4059N 1.37 3.69 -0.15 4.11 0.74 0.49 -0.64 119.66 129.26 1s8f s GLN 4059Ca 0.10 -0.49 -0.03 0.00 0.05 0.00 0.00 55.36 54.98 1s8f s GLN 4059Cb -0.15 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.32 1s8f s GLN 4059CO 0.07 -0.28 -0.05 0.42 -0.55 0.00 0.00 175.29 174.90 1s8f s ILE 4060N 1.70 3.83 0.07 -2.34 1.01 0.39 -0.49 121.20 125.36 1s8f s ILE 4060Ca 0.06 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1s8f s ILE 4060Cb -0.16 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 1s8f s ILE 4060CO 0.09 0.50 -0.17 0.26 0.00 0.00 0.00 174.94 175.62 1s8f s TRP 4061N 0.30 1.43 0.30 3.97 0.52 0.54 -0.99 118.94 125.01 1s8f s TRP 4061Ca -0.04 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 55.54 1s8f s TRP 4061Cb -0.14 -0.81 0.01 0.00 -1.15 0.00 0.00 33.47 31.38 1s8f s TRP 4061CO 0.03 0.10 0.56 0.16 0.02 0.00 0.00 176.95 177.82 1s8f s ASP 4062N -1.65 0.14 -0.01 2.95 -4.77 -0.68 -1.42 116.67 111.24 1s8f s ASP 4062Ca 0.02 -1.06 -0.30 0.00 -3.30 0.00 0.00 52.55 47.91 1s8f s ASP 4062Cb -0.10 0.66 -0.03 0.00 -1.09 0.00 0.00 42.92 42.37 1s8f s ASP 4062CO 0.03 -1.29 0.98 -0.89 0.70 0.00 0.00 175.17 174.70 1s8f s THR 4063N -3.50 4.87 -0.24 2.11 2.01 -1.26 -1.44 115.64 118.19 1s8f s THR 4063Ca 0.22 2.06 -0.11 0.00 0.31 0.00 0.00 61.69 64.17 1s8f s THR 4063Cb -0.02 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 1s8f s THR 4063CO 0.12 0.15 0.20 0.00 -0.69 0.00 0.00 174.62 174.40 1s8f s ALA 4064N 1.06 3.60 0.11 7.40 0.00 0.94 -4.88 121.76 129.98 1s8f s ALA 4064Ca 0.52 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1s8f s ALA 4064Cb -0.21 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1s8f s ALA 4064CO 0.27 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1s8f n GLY 4065N 4.33 -2.13 3.31 0.00 0.00 -0.94 -1.39 105.19 108.38 1s8f n GLY 4065Ca -0.14 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1s8f n GLY 4065CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s8f n GLN 4066N -2.06 -1.55 -3.52 1.61 6.02 -1.26 -4.88 117.38 111.75 1s8f n GLN 4066Ca 0.00 -0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 56.14 1s8f n GLN 4066Cb 0.22 -1.76 -0.10 0.00 1.02 0.00 0.00 30.24 29.62 1s8f n GLN 4066CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1s8f s GLU 4067N -3.55 2.82 -0.11 -1.09 -1.05 -1.26 -4.74 118.70 109.72 1s8f s GLU 4067Ca 0.57 -1.27 0.04 0.00 -0.15 0.00 0.00 54.97 54.16 1s8f s GLU 4067Cb -0.14 -3.90 -0.09 0.00 -0.44 0.00 0.00 34.13 29.56 1s8f s GLU 4067CO 0.66 -0.88 -0.04 0.54 0.95 0.00 0.00 175.26 176.49 1s8f n ARG 4068N 5.05 1.31 -2.91 -4.83 5.12 -1.26 -4.90 116.66 114.24 1s8f n ARG 4068Ca -0.11 0.03 -0.44 0.00 -1.93 0.00 0.00 57.85 55.41 1s8f n ARG 4068Cb 0.44 -1.24 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 1s8f n ARG 4068CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1s8f s PHE 4069N -2.23 2.91 0.61 -1.55 0.40 -1.26 -4.86 117.98 112.00 1s8f s PHE 4069Ca -0.11 -0.99 0.44 0.00 -0.60 0.00 0.00 56.93 55.66 1s8f s PHE 4069Cb 0.03 -4.27 2.33 0.00 0.51 0.00 0.00 43.02 41.63 1s8f s PHE 4069CO 0.32 -1.55 2.33 -0.09 0.70 0.00 0.00 175.22 176.94 1s8f h ARG 4070N 9.19 0.00 0.00 0.44 2.43 -2.02 -0.19 114.38 124.23 1s8f h ARG 4070Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1s8f h ARG 4070Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1s8f h ARG 4070CO 1.14 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 180.26 1s8f h SER 4071N 0.00 0.00 1.36 -3.80 4.64 -2.03 -2.20 113.55 111.51 1s8f h SER 4071Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s8f h SER 4071Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1s8f h SER 4071CO 0.00 0.00 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.29 1s8f h LEU 4072N 0.00 0.00 0.02 5.97 3.38 -1.44 -3.38 115.31 119.86 1s8f h LEU 4072Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1s8f h LEU 4072Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1s8f h LEU 4072CO 0.00 0.01 -0.11 -0.09 0.09 0.00 0.00 178.44 178.33 1s8f h ARG 4073N 0.00 -0.20 -0.30 1.13 2.43 -1.49 0.15 114.38 116.10 1s8f h ARG 4073Ca 0.00 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1s8f h ARG 4073Cb 0.98 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1s8f h ARG 4073CO 0.00 -0.13 -0.02 1.15 -1.51 0.00 0.00 179.97 179.46 1s8f h THR 4074N -0.21 1.27 0.00 0.20 2.02 -1.74 -1.96 112.91 112.48 1s8f h THR 4074Ca 0.04 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.14 1s8f h THR 4074Cb 0.25 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1s8f h THR 4074CO -0.10 0.32 -0.38 1.55 0.37 0.00 0.00 175.52 177.28 1s8f h PRO 4075N 0.33 0.00 0.27 6.66 0.13 -1.75 -0.71 132.00 136.93 1s8f h PRO 4075Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1s8f h PRO 4075Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1s8f h PRO 4075CO 0.02 0.38 -0.26 0.35 -0.23 0.00 0.00 178.00 178.25 1s8f h PHE 4076N 0.00 -0.70 0.00 1.56 3.57 -0.18 -3.10 116.94 118.09 1s8f h PHE 4076Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1s8f h PHE 4076Cb 0.79 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1s8f h PHE 4076CO 0.00 -0.39 -0.34 1.88 -2.23 0.00 0.00 178.31 177.24 1s8f h TYR 4077N -0.56 0.00 -2.66 0.41 -1.99 -1.21 -3.46 116.97 107.50 1s8f h TYR 4077Ca -0.01 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 1s8f h TYR 4077Cb 0.52 0.00 0.07 0.00 2.00 0.00 0.00 36.73 39.32 1s8f h TYR 4077CO -0.17 0.34 0.77 -2.13 -0.00 0.00 0.00 178.16 176.97 1s8f n ARG 4078N -3.30 2.29 -2.02 4.88 0.63 -0.29 -2.16 116.66 116.69 1s8f n ARG 4078Ca 0.01 0.82 -0.20 0.00 -0.92 0.00 0.00 57.85 57.57 1s8f n ARG 4078Cb 0.58 -2.56 -0.04 0.00 0.45 0.00 0.00 32.46 30.89 1s8f n ARG 4078CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s8f n GLY 4079N 2.77 0.60 3.76 5.14 0.00 -1.26 -4.97 105.19 111.23 1s8f n GLY 4079Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1s8f n GLY 4079CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s8f s SER 4080N -2.34 6.68 -0.02 1.61 0.01 -0.92 -4.60 113.70 114.12 1s8f s SER 4080Ca 0.00 2.72 0.19 0.00 1.31 0.00 0.00 55.95 60.18 1s8f s SER 4080Cb 0.00 -2.64 -0.29 0.00 0.21 0.00 0.00 66.02 63.30 1s8f s SER 4080CO 0.00 -0.63 0.47 0.47 0.41 0.00 0.00 173.24 173.96 1s8f n ASP 4081N 1.27 0.62 -3.73 2.44 8.00 0.12 -4.98 116.55 120.28 1s8f n ASP 4081Ca 0.02 -0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 1s8f n ASP 4081Cb 0.41 1.78 -0.09 0.00 -0.02 0.00 0.00 41.12 43.20 1s8f n ASP 4081CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s8f s LEU 4084N 1.74 5.65 -0.27 0.00 1.43 -0.20 -1.32 118.68 125.72 1s8f s LEU 4084Ca 0.02 -2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 50.82 1s8f s LEU 4084Cb -0.14 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1s8f s LEU 4084CO -0.07 -0.95 1.10 -0.76 0.23 0.00 0.00 176.35 175.90 1s8f s LEU 4085N 1.98 4.01 -0.06 1.79 1.43 0.44 -1.32 118.68 126.95 1s8f s LEU 4085Ca 0.21 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 1s8f s LEU 4085Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1s8f s LEU 4085CO -0.04 -0.81 -0.19 -0.89 0.23 0.00 0.00 176.35 174.65 1s8f s THR 4086N 3.54 2.57 0.33 5.49 2.01 0.84 -0.74 115.64 129.69 1s8f s THR 4086Ca 0.47 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1s8f s THR 4086Cb -0.14 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 1s8f s THR 4086CO 0.13 0.57 0.19 0.72 -0.69 0.00 0.00 174.62 175.54 1s8f s PHE 4087N -0.30 1.66 -0.20 4.92 -0.12 0.14 -4.28 117.98 119.79 1s8f s PHE 4087Ca 0.01 -1.45 -0.04 0.00 -0.05 0.00 0.00 56.93 55.41 1s8f s PHE 4087Cb -0.13 -0.86 -0.01 0.00 -0.63 0.00 0.00 43.02 41.39 1s8f s PHE 4087CO 0.03 -0.59 -0.04 0.45 -0.05 0.00 0.00 175.22 175.01 1s8f s SER 4088N -3.41 4.38 0.56 1.98 0.15 -1.26 0.14 113.70 116.24 1s8f s SER 4088Ca 0.35 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 56.94 1s8f s SER 4088Cb 0.04 -1.74 1.47 0.00 -1.71 0.00 0.00 66.02 64.07 1s8f s SER 4088CO 0.20 0.02 1.94 -0.37 1.20 0.00 0.00 173.24 176.23 1s8f h VAL 4089N 5.60 0.53 -0.25 4.45 -1.51 -1.47 0.16 116.25 123.76 1s8f h VAL 4089Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1s8f h VAL 4089Cb 1.17 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1s8f h VAL 4089CO 0.60 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.04 1s8f n ASP 4090N -4.05 2.09 -3.49 4.19 5.75 -1.26 -1.25 116.55 118.53 1s8f n ASP 4090Ca 0.11 -2.17 -0.21 0.00 -0.01 0.00 0.00 54.79 52.51 1s8f n ASP 4090Cb 0.69 -0.37 -0.13 0.00 -1.03 0.00 0.00 41.12 40.29 1s8f n ASP 4090CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1s8f s ASP 4091N -0.66 2.02 0.31 -1.12 -1.08 0.57 -4.54 116.67 112.18 1s8f s ASP 4091Ca 0.19 -0.64 0.17 0.00 -0.52 0.00 0.00 52.55 51.75 1s8f s ASP 4091Cb 0.12 0.19 0.12 0.00 -1.46 0.00 0.00 42.92 41.90 1s8f s ASP 4091CO 0.09 -0.37 1.47 0.77 0.52 0.00 0.00 175.17 177.65 1s8f h SER 4092N 8.33 0.00 -0.56 -0.34 4.64 -1.83 -2.86 113.55 120.93 1s8f h SER 4092Ca -0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1s8f h SER 4092Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1s8f h SER 4092CO 0.33 0.38 0.20 -0.61 -0.87 0.00 0.00 176.83 176.26 1s8f h GLN 4093N 0.00 0.86 -0.77 4.77 5.75 -1.96 -1.20 115.11 122.56 1s8f h GLN 4093Ca -0.01 -0.17 0.15 0.00 -0.15 0.00 0.00 58.65 58.47 1s8f h GLN 4093Cb 1.30 -0.13 -0.10 0.00 1.07 0.00 0.00 27.48 29.62 1s8f h GLN 4093CO 0.05 0.76 0.29 0.66 -2.65 0.00 0.00 178.83 177.94 1s8f h SER 4094N 0.78 0.25 -0.21 -0.69 4.64 -1.83 0.66 113.55 117.14 1s8f h SER 4094Ca 0.18 0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 1s8f h SER 4094Cb 0.24 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1s8f h SER 4094CO -0.01 0.08 -0.25 0.15 -0.87 0.00 0.00 176.83 175.92 1s8f h PHE 4095N 0.42 0.66 -0.09 4.77 3.57 -1.36 -3.09 116.94 121.81 1s8f h PHE 4095Ca 0.43 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1s8f h PHE 4095Cb 0.68 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1s8f h PHE 4095CO -0.18 0.91 -0.05 1.96 -2.23 0.00 0.00 178.31 178.72 1s8f h GLN 4096N 0.22 0.13 0.00 1.11 4.20 -0.28 -2.05 115.11 118.45 1s8f h GLN 4096Ca 0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1s8f h GLN 4096Cb 0.82 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1s8f h GLN 4096CO 0.06 0.19 0.00 0.09 -0.67 0.00 0.00 178.83 178.50 1s8f n ASN 4097N -4.40 0.01 -0.16 1.46 3.02 0.13 -3.81 115.26 111.52 1s8f n ASN 4097Ca -0.02 0.50 -0.02 0.00 -0.03 0.00 0.00 54.58 55.01 1s8f n ASN 4097Cb 0.18 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 38.89 1s8f n ASN 4097CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s8f h LEU 4098N 0.00 -0.32 -1.37 3.41 3.38 -1.40 0.17 115.31 119.18 1s8f h LEU 4098Ca 0.00 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1s8f h LEU 4098Cb 0.34 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1s8f h LEU 4098CO 0.00 -0.12 0.51 0.77 0.09 0.00 0.00 178.44 179.70 1s8f h SER 4099N 0.06 0.63 0.09 -0.43 4.64 -1.81 -0.30 113.55 116.43 1s8f h SER 4099Ca 0.25 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1s8f h SER 4099Cb 0.39 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1s8f h SER 4099CO -0.47 0.37 -0.04 0.78 -0.87 0.00 0.00 176.83 176.60 1s8f h ASN 4100N 0.69 -0.10 -0.93 4.97 2.35 -0.96 -2.01 115.58 119.59 1s8f h ASN 4100Ca 0.37 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1s8f h ASN 4100Cb 0.49 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 1s8f h ASN 4100CO -0.14 0.30 0.60 -0.50 -1.65 0.00 0.00 177.43 176.04 1s8f h TRP 4101N -0.51 1.12 -0.57 1.19 4.06 -0.65 -0.76 115.95 119.82 1s8f h TRP 4101Ca -0.01 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 1s8f h TRP 4101Cb 0.43 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 1s8f h TRP 4101CO 0.05 0.62 0.28 -0.22 -3.56 0.00 0.00 178.44 175.61 1s8f h LYS 4102N 1.13 0.82 -0.49 0.49 3.64 -1.00 -0.31 116.57 120.86 1s8f h LYS 4102Ca 0.38 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1s8f h LYS 4102Cb 0.06 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1s8f h LYS 4102CO -0.14 0.67 0.13 0.87 -2.27 0.00 0.00 179.45 178.71 1s8f h LYS 4103N 0.78 0.77 -0.70 1.90 1.57 -0.80 -0.15 116.57 119.93 1s8f h LYS 4103Ca 0.20 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1s8f h LYS 4103Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1s8f h LYS 4103CO -0.03 0.74 0.26 1.49 -0.57 0.00 0.00 179.45 181.34 1s8f h GLU 4104N 0.66 1.07 -0.48 3.15 4.81 -0.79 -1.71 114.58 121.28 1s8f h GLU 4104Ca 0.15 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1s8f h GLU 4104Cb 0.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1s8f h GLU 4104CO -0.00 0.90 0.31 0.35 -0.73 0.00 0.00 179.01 179.83 1s8f h PHE 4105N 1.02 0.62 -0.81 0.92 3.57 -0.87 -0.56 116.94 120.83 1s8f h PHE 4105Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1s8f h PHE 4105Cb 0.24 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1s8f h PHE 4105CO 0.02 0.42 0.38 0.82 -2.23 0.00 0.00 178.31 177.71 1s8f h ILE 4106N 0.65 1.25 0.69 1.41 2.04 -0.64 -0.24 117.51 122.67 1s8f h ILE 4106Ca 0.18 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1s8f h ILE 4106Cb -0.04 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1s8f h ILE 4106CO -0.04 0.31 -0.33 0.22 0.00 0.00 0.00 178.15 178.32 1s8f h TYR 4107N 1.16 -0.85 0.00 1.37 -0.00 -1.02 0.23 116.97 117.85 1s8f h TYR 4107Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.97 1s8f h TYR 4107Cb 0.14 0.28 -0.00 0.00 -0.00 0.00 0.00 36.73 37.15 1s8f h TYR 4107CO 0.02 -0.53 -0.06 1.88 -0.00 0.00 0.00 178.16 179.46 1s8f h TYR 4108N -1.08 0.00 -0.02 -3.82 0.99 -1.00 0.08 116.97 112.13 1s8f h TYR 4108Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1s8f h TYR 4108Cb 0.71 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.44 1s8f h TYR 4108CO 0.03 0.06 -0.04 0.00 -0.00 0.00 0.00 178.16 178.22 1s8f n ALA 4109N -2.12 2.62 -3.42 3.88 0.00 -0.11 -4.45 120.51 116.91 1s8f n ALA 4109Ca 0.02 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 1s8f n ALA 4109Cb 0.42 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.83 1s8f n ALA 4109CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s8f n ASP 4110N 0.37 -6.29 -4.53 0.00 -0.08 0.02 -4.73 116.55 101.30 1s8f n ASP 4110Ca 0.17 -0.67 -0.43 0.00 -1.51 0.00 0.00 54.79 52.35 1s8f n ASP 4110Cb 0.41 -4.11 -0.06 0.00 2.34 0.00 0.00 41.12 39.71 1s8f n ASP 4110CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1s8f s VAL 4111N -3.24 4.69 -0.25 5.18 1.01 0.78 -4.85 120.40 123.71 1s8f s VAL 4111Ca 0.27 0.30 0.27 0.00 0.00 0.00 0.00 61.98 62.82 1s8f s VAL 4111Cb -0.07 -4.30 0.35 0.00 0.00 0.00 0.00 36.38 32.36 1s8f s VAL 4111CO 0.81 -0.71 1.77 0.07 0.00 0.00 0.00 175.10 177.03 1s8f h LYS 4112N 8.97 0.00 -2.04 2.72 -0.00 -1.90 -3.38 116.57 120.95 1s8f h LYS 4112Ca -0.25 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.84 1s8f h LYS 4112Cb 1.09 0.00 -0.39 0.00 -0.00 0.00 0.00 32.23 32.93 1s8f h LYS 4112CO 0.95 0.00 -1.08 -0.85 -0.00 0.00 0.00 179.45 178.47 1s8f n GLU 4113N -3.01 0.71 -0.27 0.07 0.00 -1.26 -4.96 120.64 111.91 1s8f n GLU 4113Ca 0.03 -3.25 0.19 0.00 0.00 0.00 0.00 57.16 54.13 1s8f n GLU 4113Cb 0.43 -1.28 0.49 0.00 0.00 0.00 0.00 31.44 31.08 1s8f n GLU 4113CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1s8f h PRO 4114N 4.16 0.43 -0.73 3.44 0.13 -1.96 -1.89 132.00 135.58 1s8f h PRO 4114Ca 0.09 -0.03 0.16 0.00 -0.87 0.00 0.00 66.00 65.36 1s8f h PRO 4114Cb 0.88 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 31.79 1s8f h PRO 4114CO 0.46 0.28 0.03 0.93 -0.23 0.00 0.00 178.00 179.47 1s8f h GLU 4115N 0.44 0.12 -0.48 0.86 3.07 -1.96 -0.03 114.58 116.60 1s8f h GLU 4115Ca 0.51 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1s8f h GLU 4115Cb 1.23 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1s8f h GLU 4115CO -0.22 0.08 0.00 -1.13 -1.40 0.00 0.00 179.01 176.34 1s8f n SER 4116N -5.31 3.51 -4.75 1.42 3.41 -0.74 -4.99 113.62 106.18 1s8f n SER 4116Ca 0.13 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 1s8f n SER 4116Cb 0.45 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1s8f n SER 4116CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1s8f s PHE 4117N -1.26 3.37 -0.81 7.33 5.36 -0.03 -4.91 117.98 127.04 1s8f s PHE 4117Ca 0.39 1.50 -0.25 0.00 -0.96 0.00 0.00 56.93 57.61 1s8f s PHE 4117Cb 0.22 -3.46 -0.09 0.00 -0.34 0.00 0.00 43.02 39.35 1s8f s PHE 4117CO 0.30 -1.21 2.17 -2.14 -1.46 0.00 0.00 175.22 172.88 1s8f s PRO 4118N -1.06 2.11 -0.13 10.12 0.02 -1.26 -4.92 135.00 139.87 1s8f s PRO 4118Ca 0.49 0.21 -0.04 0.00 0.02 0.00 0.00 61.00 61.68 1s8f s PRO 4118Cb -0.35 -4.87 -0.03 0.00 0.02 0.00 0.00 34.50 29.27 1s8f s PRO 4118CO 0.43 -3.80 0.02 -0.06 -0.33 0.00 0.00 177.00 173.25 1s8f s PHE 4119N 12.22 3.20 0.01 6.54 0.08 -1.26 -1.70 117.98 137.07 1s8f s PHE 4119Ca 0.81 0.08 0.06 0.00 0.12 0.00 0.00 56.93 58.00 1s8f s PHE 4119Cb -0.10 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 1s8f s PHE 4119CO 0.06 0.28 -0.19 0.08 -0.10 0.00 0.00 175.22 175.35 1s8f s VAL 4120N -0.22 1.53 -0.15 -0.44 1.01 -0.43 -4.29 120.40 117.40 1s8f s VAL 4120Ca 0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1s8f s VAL 4120Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1s8f s VAL 4120CO 0.02 0.30 -0.06 -0.63 0.00 0.00 0.00 175.10 174.73 1s8f s ILE 4121N -0.62 3.65 -0.18 2.22 -1.09 0.04 -0.42 121.20 124.80 1s8f s ILE 4121Ca 0.07 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1s8f s ILE 4121Cb -0.08 -2.59 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1s8f s ILE 4121CO 0.00 0.50 -0.13 -0.76 -1.23 0.00 0.00 174.94 173.32 1s8f s LEU 4122N 0.43 2.55 -0.53 2.97 1.43 0.09 0.12 118.68 125.74 1s8f s LEU 4122Ca -0.05 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.41 1s8f s LEU 4122Cb -0.15 -1.60 0.11 0.00 0.03 0.00 0.00 46.19 44.58 1s8f s LEU 4122CO 0.03 0.05 0.52 -0.83 0.23 0.00 0.00 176.35 176.35 1s8f s GLY 4123N 1.05 2.01 0.69 -3.19 0.00 0.19 0.24 107.32 108.30 1s8f s GLY 4123Ca -0.01 -2.34 -0.06 0.00 0.00 0.00 0.00 44.72 42.31 1s8f s GLY 4123CO -0.03 1.25 1.00 0.21 0.00 0.00 0.00 173.10 175.53 1s8f s ASN 4124N 3.32 4.89 -0.40 1.64 2.47 0.12 -0.88 114.94 126.10 1s8f s ASN 4124Ca 0.05 0.46 -0.01 0.00 0.42 0.00 0.00 52.86 53.78 1s8f s ASN 4124Cb -0.27 -1.14 0.00 0.00 -1.45 0.00 0.00 41.25 38.39 1s8f s ASN 4124CO 0.05 -1.54 0.17 0.29 -3.72 0.00 0.00 177.10 172.34 1s8f n LYS 4125N -2.88 -1.33 0.08 0.43 5.02 -0.21 -1.34 118.16 117.94 1s8f n LYS 4125Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1s8f n LYS 4125Cb 0.60 -3.67 0.32 0.00 -0.02 0.00 0.00 35.03 32.26 1s8f n LYS 4125CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1s8f h ILE 4126N -0.39 1.22 0.00 -0.18 2.10 -1.53 -2.78 117.51 115.95 1s8f h ILE 4126Ca -0.14 -0.99 0.00 0.00 1.08 0.00 0.00 64.86 64.81 1s8f h ILE 4126Cb 1.09 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1s8f h ILE 4126CO 0.15 0.31 0.00 -0.90 -1.08 0.00 0.00 178.15 176.63 1s8f n ASP 4127N -4.21 0.08 -4.46 2.19 5.68 -1.26 -4.73 116.55 109.84 1s8f n ASP 4127Ca -0.00 -0.81 -0.33 0.00 -0.50 0.00 0.00 54.79 53.14 1s8f n ASP 4127Cb 0.32 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.14 1s8f n ASP 4127CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1s8f s ILE 4128N -1.81 3.48 -1.18 2.12 2.07 -1.05 -5.05 121.20 119.79 1s8f s ILE 4128Ca 0.00 -0.52 -0.10 0.00 -1.41 0.00 0.00 60.65 58.62 1s8f s ILE 4128Cb 0.00 -2.48 0.22 0.00 0.13 0.00 0.00 42.46 40.34 1s8f s ILE 4128CO 0.00 0.53 1.41 -0.24 -1.91 0.00 0.00 174.94 174.74 1s8f n SER 4129N 3.22 5.45 0.00 4.50 2.88 -1.26 -4.47 113.62 123.93 1s8f n SER 4129Ca -0.18 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.29 1s8f n SER 4129Cb 0.53 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1s8f n SER 4129CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1s8f n GLU 4130N 3.91 0.00 -2.43 -1.46 4.71 -1.26 -5.17 120.64 118.95 1s8f n GLU 4130Ca 0.32 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 57.13 1s8f n GLU 4130Cb 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.80 1s8f n GLU 4130CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1s8f s ARG 4131N 0.00 3.64 0.00 3.49 0.52 -1.26 -4.60 118.95 120.73 1s8f s ARG 4131Ca 0.00 1.42 0.03 0.00 -0.52 0.00 0.00 55.73 56.66 1s8f s ARG 4131Cb 0.00 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 1s8f s ARG 4131CO 0.00 -0.58 0.20 1.04 0.02 0.00 0.00 175.30 175.98 1s8f n GLN 4132N -1.14 4.98 -4.22 3.54 6.02 -0.38 -4.95 117.38 121.23 1s8f n GLN 4132Ca 0.10 -0.11 -0.20 0.00 -0.01 0.00 0.00 57.00 56.78 1s8f n GLN 4132Cb 0.52 -0.71 -0.16 0.00 1.02 0.00 0.00 30.24 30.91 1s8f n GLN 4132CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s8f s VAL 4133N -1.13 0.58 0.28 5.09 1.01 -0.86 -4.67 120.40 120.70 1s8f s VAL 4133Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1s8f s VAL 4133Cb 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.74 1s8f s VAL 4133CO 0.11 0.22 0.82 -0.94 0.00 0.00 0.00 175.10 175.31 1s8f s SER 4134N 0.65 7.11 0.36 3.32 1.04 -1.26 -4.94 113.70 119.98 1s8f s SER 4134Ca -0.09 1.56 0.12 0.00 0.48 0.00 0.00 55.95 58.02 1s8f s SER 4134Cb -0.12 -2.48 0.90 0.00 0.10 0.00 0.00 66.02 64.42 1s8f s SER 4134CO 0.00 -0.06 1.83 0.74 0.98 0.00 0.00 173.24 176.73 1s8f h THR 4135N 2.54 0.72 -0.24 2.02 2.02 -1.99 0.22 112.91 118.19 1s8f h THR 4135Ca -0.48 -0.21 -0.20 0.00 0.77 0.00 0.00 66.41 66.30 1s8f h THR 4135Cb 1.19 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1s8f h THR 4135CO 0.65 0.11 -0.64 -0.33 0.37 0.00 0.00 175.52 175.68 1s8f h GLU 4136N 0.60 0.85 -0.09 6.66 4.39 -1.98 0.54 114.58 125.55 1s8f h GLU 4136Ca 0.51 -0.60 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1s8f h GLU 4136Cb 0.99 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1s8f h GLU 4136CO -0.26 1.22 -0.06 1.49 -1.16 0.00 0.00 179.01 180.25 1s8f h GLU 4137N 0.62 -0.06 -0.35 2.33 4.81 -1.81 -0.34 114.58 119.79 1s8f h GLU 4137Ca -0.01 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1s8f h GLU 4137Cb 1.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1s8f h GLU 4137CO 0.14 -0.04 -0.08 0.00 -0.73 0.00 0.00 179.01 178.30 1s8f h ALA 4138N 1.02 0.48 -0.53 2.92 0.00 -0.42 -1.93 119.26 120.80 1s8f h ALA 4138Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1s8f h ALA 4138Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1s8f h ALA 4138CO -0.13 0.32 0.11 1.96 0.00 0.00 0.00 179.25 181.52 1s8f h GLN 4139N 0.46 0.81 -0.25 0.00 4.20 0.24 -2.29 115.11 118.28 1s8f h GLN 4139Ca 0.09 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1s8f h GLN 4139Cb 0.58 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1s8f h GLN 4139CO 0.03 0.74 0.05 0.00 -0.67 0.00 0.00 178.83 178.99 1s8f h ALA 4140N 1.34 0.34 -0.39 3.87 0.00 -0.92 -1.92 119.26 121.59 1s8f h ALA 4140Ca 0.17 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1s8f h ALA 4140Cb 0.31 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1s8f h ALA 4140CO 0.00 0.01 -0.05 2.35 0.00 0.00 0.00 179.25 181.56 1s8f h TRP 4141N 0.23 -0.12 -0.17 0.00 7.01 -1.08 0.27 115.95 122.09 1s8f h TRP 4141Ca 0.08 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.13 1s8f h TRP 4141Cb 0.31 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 1s8f h TRP 4141CO 0.02 -0.13 0.02 0.00 -2.79 0.00 0.00 178.44 175.56 1s8f h ARG 4143N 0.08 1.11 0.00 0.00 0.11 -0.89 0.35 114.38 115.14 1s8f h ARG 4143Ca 0.08 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 1s8f h ARG 4143Cb 0.08 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 30.94 1s8f h ARG 4143CO -0.12 0.83 -0.27 -0.44 0.10 0.00 0.00 179.97 180.07 1s8f h ASP 4144N 1.11 0.00 -0.23 0.08 3.32 -0.18 -3.05 116.42 117.47 1s8f h ASP 4144Ca 0.28 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 1s8f h ASP 4144Cb 0.05 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 1s8f h ASP 4144CO -0.04 0.27 -0.24 0.59 -1.72 0.00 0.00 179.24 178.10 1s8f n ASN 4145N -3.29 2.21 0.00 6.45 3.02 0.11 -4.83 115.26 118.93 1s8f n ASN 4145Ca 0.01 -3.84 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 1s8f n ASN 4145Cb 0.53 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1s8f n ASN 4145CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s8f n GLY 4146N -1.12 0.81 3.79 7.41 0.00 -1.20 -4.81 105.19 110.07 1s8f n GLY 4146Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1s8f n GLY 4146CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s8f n ASP 4147N 0.00 -1.89 -4.82 1.61 2.03 0.12 -4.95 116.55 108.64 1s8f n ASP 4147Ca 0.00 -0.94 -0.33 0.00 0.52 0.00 0.00 54.79 54.03 1s8f n ASP 4147Cb 0.00 -3.51 -0.07 0.00 -0.72 0.00 0.00 41.12 36.82 1s8f n ASP 4147CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1s8f s TYR 4148N -3.74 3.39 0.26 -0.67 2.02 -1.16 -4.93 117.35 112.52 1s8f s TYR 4148Ca 0.12 1.49 -0.30 0.00 -0.37 0.00 0.00 57.07 58.02 1s8f s TYR 4148Cb -0.04 -2.75 -0.10 0.00 -0.40 0.00 0.00 41.96 38.67 1s8f s TYR 4148CO 0.85 0.01 1.48 -1.25 -1.57 0.00 0.00 175.55 175.08 1s8f s PRO 4149N -2.93 4.23 -0.13 -1.71 0.04 -1.26 -4.70 135.00 128.54 1s8f s PRO 4149Ca 0.57 2.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.96 1s8f s PRO 4149Cb -0.11 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1s8f s PRO 4149CO 0.16 -0.48 -0.05 -0.47 0.04 0.00 0.00 177.00 176.20 1s8f s TYR 4150N 0.05 3.01 -0.09 0.56 5.04 -1.26 -0.78 117.35 123.87 1s8f s TYR 4150Ca 0.61 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1s8f s TYR 4150Cb -0.43 -1.88 0.02 0.00 0.35 0.00 0.00 41.96 40.01 1s8f s TYR 4150CO 0.44 0.09 -0.13 -0.06 -1.34 0.00 0.00 175.55 174.55 1s8f s PHE 4151N -0.03 1.66 -0.35 4.97 0.40 0.12 -4.97 117.98 119.78 1s8f s PHE 4151Ca 0.01 -0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 55.43 1s8f s PHE 4151Cb -0.13 -1.23 -0.00 0.00 0.51 0.00 0.00 43.02 42.16 1s8f s PHE 4151CO 0.03 -0.39 0.57 -1.21 0.70 0.00 0.00 175.22 174.91 1s8f s GLU 4152N 0.97 3.68 0.32 0.44 2.02 -1.26 -0.64 118.70 124.23 1s8f s GLU 4152Ca -0.08 -0.02 0.10 0.00 0.02 0.00 0.00 54.97 54.99 1s8f s GLU 4152Cb -0.15 -3.80 -0.06 0.00 0.10 0.00 0.00 34.13 30.22 1s8f s GLU 4152CO -0.00 -0.66 -0.12 0.95 0.02 0.00 0.00 175.26 175.44 1s8f s THR 4153N 2.53 2.25 -0.18 3.63 -4.23 -0.06 -4.60 115.64 114.98 1s8f s THR 4153Ca 0.22 -2.25 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 1s8f s THR 4153Cb -0.15 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.21 1s8f s THR 4153CO 0.14 -0.26 0.09 -0.55 -0.54 0.00 0.00 174.62 173.50 1s8f s SER 4154N -3.57 2.46 0.31 3.99 0.15 -0.54 -1.04 113.70 115.45 1s8f s SER 4154Ca 0.31 -0.68 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1s8f s SER 4154Cb 0.01 -0.25 0.50 0.00 -1.71 0.00 0.00 66.02 64.56 1s8f s SER 4154CO 0.16 -0.36 1.79 0.00 1.20 0.00 0.00 173.24 176.03 1s8f h ALA 4155N 8.42 1.22 -0.33 5.45 0.00 -1.89 0.94 119.26 133.07 1s8f h ALA 4155Ca -0.15 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1s8f h ALA 4155Cb 1.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1s8f h ALA 4155CO 0.30 0.50 -0.14 -0.22 0.00 0.00 0.00 179.25 179.70 1s8f h LYS 4156N 0.46 0.57 -0.01 0.00 3.64 -1.94 -3.18 116.57 116.12 1s8f h LYS 4156Ca 0.08 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1s8f h LYS 4156Cb 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1s8f h LYS 4156CO 0.03 0.70 -0.16 -0.25 -2.27 0.00 0.00 179.45 177.50 1s8f n ASP 4157N -4.18 1.38 0.00 4.20 10.43 -1.15 -4.85 116.55 122.39 1s8f n ASP 4157Ca 0.01 -1.19 0.00 0.00 2.57 0.00 0.00 54.79 56.18 1s8f n ASP 4157Cb 0.35 0.36 0.00 0.00 1.84 0.00 0.00 41.12 43.67 1s8f n ASP 4157CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1s8f n ALA 4158N -0.05 0.00 -1.54 2.24 0.00 0.31 -4.98 120.51 116.50 1s8f n ALA 4158Ca 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.94 1s8f n ALA 4158Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 1s8f n ALA 4158CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1s8f n THR 4159N -2.00 0.23 -0.89 0.00 -1.04 -0.53 -1.83 114.28 108.22 1s8f n THR 4159Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1s8f n THR 4159Cb 0.00 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 1s8f n THR 4159CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1s8f n ASN 4160N 7.74 -1.47 0.05 8.00 3.02 -1.26 -1.47 115.26 129.88 1s8f n ASN 4160Ca 0.36 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.79 1s8f n ASN 4160Cb 0.16 -1.10 -0.09 0.00 -0.61 0.00 0.00 39.78 38.15 1s8f n ASN 4160CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1s8f h VAL 4161N 0.00 1.08 -0.84 2.41 2.07 -1.66 -2.02 116.25 117.29 1s8f h VAL 4161Ca 0.00 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1s8f h VAL 4161Cb 0.12 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1s8f h VAL 4161CO 0.00 0.16 0.41 0.00 0.02 0.00 0.00 177.57 178.17 1s8f h ALA 4162N 0.44 1.14 -0.69 1.67 0.00 -1.90 -2.43 119.26 117.49 1s8f h ALA 4162Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1s8f h ALA 4162Cb 0.36 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1s8f h ALA 4162CO 0.02 0.65 0.41 0.00 0.00 0.00 0.00 179.25 180.34 1s8f h ALA 4163N 1.26 0.92 0.05 0.00 0.00 -1.92 0.19 119.26 119.75 1s8f h ALA 4163Ca 0.29 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s8f h ALA 4163Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s8f h ALA 4163CO -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 1s8f h ALA 4164N 1.33 -0.07 -0.55 0.00 0.00 -1.07 0.64 119.26 119.55 1s8f h ALA 4164Ca 0.30 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1s8f h ALA 4164Cb 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s8f h ALA 4164CO -0.15 -0.54 0.02 0.74 0.00 0.00 0.00 179.25 179.32 1s8f h PHE 4165N -0.08 1.04 -0.16 0.00 0.04 -0.96 -1.72 116.94 115.11 1s8f h PHE 4165Ca -0.01 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.50 1s8f h PHE 4165Cb 0.06 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1s8f h PHE 4165CO -0.07 0.94 -0.29 0.93 -0.60 0.00 0.00 178.31 179.22 1s8f h GLU 4166N 0.84 0.30 -0.72 1.51 5.08 -0.42 -0.54 114.58 120.64 1s8f h GLU 4166Ca 0.16 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1s8f h GLU 4166Cb 0.52 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1s8f h GLU 4166CO 0.02 0.57 0.40 1.49 -1.00 0.00 0.00 179.01 180.50 1s8f h GLU 4167N 0.27 1.00 -0.54 2.33 4.57 -0.54 0.91 114.58 122.59 1s8f h GLU 4167Ca 0.04 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1s8f h GLU 4167Cb 0.66 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1s8f h GLU 4167CO 0.05 0.75 0.34 0.00 -1.18 0.00 0.00 179.01 178.97 1s8f h ALA 4168N 1.20 0.69 -0.43 2.92 0.00 -0.38 0.21 119.26 123.47 1s8f h ALA 4168Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1s8f h ALA 4168Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1s8f h ALA 4168CO -0.04 0.08 0.21 0.28 0.00 0.00 0.00 179.25 179.78 1s8f h VAL 4169N 0.69 1.18 -0.73 0.00 2.07 -0.57 -0.15 116.25 118.73 1s8f h VAL 4169Ca 0.21 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1s8f h VAL 4169Cb -0.03 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 1s8f h VAL 4169CO -0.07 0.20 0.40 0.03 0.02 0.00 0.00 177.57 178.15 1s8f h ARG 4170N 0.55 0.68 -0.67 1.57 -0.00 -0.06 0.93 114.38 117.39 1s8f h ARG 4170Ca 0.15 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.98 59.53 1s8f h ARG 4170Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 29.91 1s8f h ARG 4170CO -0.02 0.45 0.18 0.07 0.00 0.00 0.00 179.97 180.66 1s8f h ARG 4171N 0.70 1.07 -0.48 0.04 -0.00 -0.08 -2.48 114.38 113.15 1s8f h ARG 4171Ca 0.35 -0.25 -0.03 0.00 -0.00 0.00 0.00 59.98 60.05 1s8f h ARG 4171Cb 0.29 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.97 30.09 1s8f h ARG 4171CO -0.23 0.94 0.19 0.28 -0.00 0.00 0.00 179.97 181.15 1s8f h VAL 4172N 1.00 1.21 0.00 0.08 2.07 -0.03 -3.45 116.25 117.13 1s8f h VAL 4172Ca 0.21 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1s8f h VAL 4172Cb 0.34 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1s8f h VAL 4172CO -0.00 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.01