#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3h s GLN 4002N 0.00 4.04 -0.30 9.51 -1.52 -1.26 -4.49 119.66 125.64 1r3h s GLN 4002Ca 0.00 0.82 0.00 0.00 -1.95 0.00 0.00 55.36 54.23 1r3h s GLN 4002Cb 0.00 -2.31 0.19 0.00 -0.22 0.00 0.00 33.01 30.67 1r3h s GLN 4002CO 0.00 0.02 0.68 0.50 -0.25 0.00 0.00 175.29 176.23 1r3h s ARG 4003N -3.29 0.49 0.33 2.91 3.52 -0.65 -4.90 118.95 117.36 1r3h s ARG 4003Ca 0.57 0.67 -0.28 0.00 -0.13 0.00 0.00 55.73 56.56 1r3h s ARG 4003Cb -0.10 0.35 -0.12 0.00 -1.56 0.00 0.00 34.95 33.52 1r3h s ARG 4003CO 0.19 -0.74 1.35 -2.37 -0.81 0.00 0.00 175.30 172.93 1r3h n THR 4004N 5.40 1.84 -2.84 4.11 5.66 -1.26 -3.17 114.28 124.02 1r3h n THR 4004Ca 0.02 -0.46 -0.30 0.00 -3.05 0.00 0.00 64.05 60.25 1r3h n THR 4004Cb 0.53 -1.64 -0.03 0.00 -1.55 0.00 0.00 70.33 67.64 1r3h n THR 4004CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1r3h s PRO 4005N -1.69 3.80 -0.26 1.09 0.04 -1.26 -4.37 135.00 132.36 1r3h s PRO 4005Ca 0.57 0.51 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 1r3h s PRO 4005Cb -0.56 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1r3h s PRO 4005CO 0.60 -0.04 0.01 -1.59 0.04 0.00 0.00 177.00 176.02 1r3h s LYS 4006N -3.81 3.17 0.04 4.56 -2.85 -0.69 -4.96 119.74 115.20 1r3h s LYS 4006Ca 0.52 -0.78 -0.10 0.00 -1.00 0.00 0.00 55.97 54.61 1r3h s LYS 4006Cb -0.10 -3.16 -0.06 0.00 -2.06 0.00 0.00 37.83 32.46 1r3h s LYS 4006CO 0.31 -0.33 0.37 0.42 0.10 0.00 0.00 175.35 176.21 1r3h s ILE 4007N 1.46 5.13 -0.05 3.79 -1.09 -1.26 -3.51 121.20 125.67 1r3h s ILE 4007Ca 0.03 0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 58.90 1r3h s ILE 4007Cb -0.16 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1r3h s ILE 4007CO -0.01 0.37 0.11 -1.10 -1.23 0.00 0.00 174.94 173.09 1r3h s GLN 4008N -1.68 0.10 -0.19 2.79 -0.21 -0.86 -4.99 119.66 114.62 1r3h s GLN 4008Ca 0.29 0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.91 1r3h s GLN 4008Cb -0.14 -0.05 0.04 0.00 1.00 0.00 0.00 33.01 33.86 1r3h s GLN 4008CO 0.16 -0.08 -0.12 0.08 -2.12 0.00 0.00 175.29 173.21 1r3h s VAL 4009N 0.52 1.68 0.11 1.09 1.01 -1.26 -0.75 120.40 122.80 1r3h s VAL 4009Ca -0.04 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 1r3h s VAL 4009Cb -0.05 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1r3h s VAL 4009CO -0.02 0.27 0.20 -0.72 0.00 0.00 0.00 175.10 174.83 1r3h s TYR 4010N 1.40 0.24 0.00 5.22 -0.85 -1.03 -4.56 117.35 117.77 1r3h s TYR 4010Ca 0.01 -0.66 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 1r3h s TYR 4010Cb -0.15 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.11 1r3h s TYR 4010CO -0.09 -0.58 0.00 -1.13 -1.52 0.00 0.00 175.55 172.23 1r3h n SER 4011N -0.09 0.00 -0.08 -0.18 3.41 -1.26 -1.49 113.62 113.93 1r3h n SER 4011Ca -0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 1r3h n SER 4011Cb 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.47 1r3h n SER 4011CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1r3h n ARG 4012N 0.00 1.25 -4.16 4.33 0.63 -1.08 -4.70 116.66 112.93 1r3h n ARG 4012Ca 0.00 0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.86 1r3h n ARG 4012Cb 0.00 -1.37 -0.10 0.00 0.45 0.00 0.00 32.46 31.44 1r3h n ARG 4012CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1r3h s HIS 4013N -2.36 0.88 0.58 -0.14 3.76 -1.26 -5.06 115.29 111.69 1r3h s HIS 4013Ca -0.13 -1.12 -0.19 0.00 -0.15 0.00 0.00 55.06 53.48 1r3h s HIS 4013Cb 0.05 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 1r3h s HIS 4013CO 0.54 -0.38 0.88 -2.30 -0.85 0.00 0.00 174.74 172.63 1r3h n PRO 4014N -0.08 0.85 -2.99 8.40 -0.02 -1.26 -4.91 135.00 134.99 1r3h n PRO 4014Ca -0.08 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.33 1r3h n PRO 4014Cb 0.63 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1r3h n PRO 4014CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3h s ALA 4015N -1.54 3.43 -0.22 3.55 0.00 -1.26 -5.04 121.76 120.68 1r3h s ALA 4015Ca 0.74 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1r3h s ALA 4015Cb -0.43 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 19.79 1r3h s ALA 4015CO 0.49 0.22 0.04 -1.21 0.00 0.00 0.00 175.76 175.30 1r3h s GLU 4016N -0.80 0.78 0.09 0.00 2.02 -1.26 -5.12 118.70 114.41 1r3h s GLU 4016Ca 0.36 -0.62 -0.34 0.00 0.02 0.00 0.00 54.97 54.40 1r3h s GLU 4016Cb -0.22 -2.13 -0.13 0.00 0.10 0.00 0.00 34.13 31.74 1r3h s GLU 4016CO 0.25 -0.71 1.68 0.09 0.02 0.00 0.00 175.26 176.59 1r3h n ASN 4017N 4.97 3.25 0.00 -0.19 4.13 -1.26 -1.82 115.26 124.34 1r3h n ASN 4017Ca -0.08 1.05 0.00 0.00 1.68 0.00 0.00 54.58 57.23 1r3h n ASN 4017Cb 0.46 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.28 1r3h n ASN 4017CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r3h n GLY 4018N 3.74 2.31 3.83 7.41 0.00 0.17 -4.98 105.19 117.66 1r3h n GLY 4018Ca 0.19 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1r3h n GLY 4018CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3h s LYS 4019N 0.00 0.42 -0.12 1.61 1.02 -0.76 -4.92 119.74 116.99 1r3h s LYS 4019Ca 0.00 -0.16 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1r3h s LYS 4019Cb 0.00 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 1r3h s LYS 4019CO 0.00 -2.60 0.32 0.45 -0.92 0.00 0.00 175.35 172.60 1r3h s SER 4020N -4.48 6.53 0.07 2.83 0.15 -1.26 -4.13 113.70 113.40 1r3h s SER 4020Ca 0.70 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.99 1r3h s SER 4020Cb -0.08 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1r3h s SER 4020CO 0.53 0.17 0.06 -3.20 1.20 0.00 0.00 173.24 172.00 1r3h n ASN 4021N 3.05 -0.15 -4.07 5.45 2.85 0.43 -5.00 115.26 117.81 1r3h n ASN 4021Ca -0.13 -1.43 -0.26 0.00 -0.11 0.00 0.00 54.58 52.65 1r3h n ASN 4021Cb 0.52 0.34 -0.17 0.00 1.24 0.00 0.00 39.78 41.72 1r3h n ASN 4021CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r3h s PHE 4022N -2.44 1.73 -0.04 1.20 0.40 -1.26 -1.27 117.98 116.29 1r3h s PHE 4022Ca 0.08 -0.66 -0.21 0.00 -0.60 0.00 0.00 56.93 55.54 1r3h s PHE 4022Cb 0.00 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 1r3h s PHE 4022CO 0.05 -0.31 0.61 -1.17 0.70 0.00 0.00 175.22 175.11 1r3h s LEU 4023N 0.57 4.36 -0.04 -0.37 2.96 0.20 -2.64 118.68 123.73 1r3h s LEU 4023Ca -0.15 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1r3h s LEU 4023Cb -0.16 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1r3h s LEU 4023CO 0.05 0.02 -0.12 0.20 -1.32 0.00 0.00 176.35 175.18 1r3h s ASN 4024N 0.24 1.62 -0.36 3.68 0.01 -0.55 -2.00 114.94 117.58 1r3h s ASN 4024Ca 0.32 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 1r3h s ASN 4024Cb -0.18 -0.53 0.10 0.00 0.41 0.00 0.00 41.25 41.06 1r3h s ASN 4024CO 0.16 0.08 0.09 0.00 -1.51 0.00 0.00 177.10 175.92 1r3h s TYR 4026N 0.87 3.27 -0.07 0.00 5.04 0.07 -2.42 117.35 124.11 1r3h s TYR 4026Ca 0.12 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.98 1r3h s TYR 4026Cb -0.20 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 1r3h s TYR 4026CO -0.10 -0.52 -0.10 0.14 -1.34 0.00 0.00 175.55 173.63 1r3h s VAL 4027N 3.14 3.43 0.02 3.14 -7.23 0.20 -2.04 120.40 121.07 1r3h s VAL 4027Ca 0.40 -0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 1r3h s VAL 4027Cb -0.14 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1r3h s VAL 4027CO 0.09 0.59 0.25 -1.54 -0.31 0.00 0.00 175.10 174.17 1r3h n SER 4028N 2.42 -0.34 -1.57 4.85 3.41 -1.23 0.84 113.62 121.99 1r3h n SER 4028Ca -0.18 -1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 57.11 1r3h n SER 4028Cb 0.53 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.97 1r3h n SER 4028CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3h n GLY 4029N -0.18 1.04 3.55 5.00 0.00 -1.15 -1.70 105.19 111.76 1r3h n GLY 4029Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1r3h n GLY 4029CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r3h s PHE 4030N -2.73 1.91 0.00 1.61 -0.12 -1.24 -4.46 117.98 112.95 1r3h s PHE 4030Ca 0.00 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.80 1r3h s PHE 4030Cb 0.00 -1.33 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 1r3h s PHE 4030CO 0.00 -0.05 0.00 1.58 -0.05 0.00 0.00 175.22 176.70 1r3h n HIS 4031N -0.92 0.00 -0.89 3.49 -0.00 -1.19 0.91 115.22 116.62 1r3h n HIS 4031Ca -0.07 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.81 1r3h n HIS 4031Cb 0.66 0.00 0.26 0.00 -0.12 0.00 0.00 29.99 30.79 1r3h n HIS 4031CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1r3h n PRO 4032N -0.20 -3.47 0.00 1.57 -0.02 -1.26 -1.64 135.00 129.99 1r3h n PRO 4032Ca 0.00 -1.68 0.14 0.00 -2.02 0.00 0.00 63.50 59.94 1r3h n PRO 4032Cb 0.00 -1.67 0.66 0.00 -0.02 0.00 0.00 33.50 32.46 1r3h n PRO 4032CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1r3h n SER 4033N -5.04 0.09 -4.57 2.55 3.41 -1.26 -4.70 113.62 104.10 1r3h n SER 4033Ca 0.15 0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.54 1r3h n SER 4033Cb 0.59 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 1r3h n SER 4033CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r3h s ASP 4034N -2.74 4.84 0.16 4.04 2.15 -1.26 -4.87 116.67 118.98 1r3h s ASP 4034Ca 0.22 -0.94 0.06 0.00 0.43 0.00 0.00 52.55 52.32 1r3h s ASP 4034Cb 0.20 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 1r3h s ASP 4034CO 0.50 -3.13 -0.13 -0.51 -0.17 0.00 0.00 175.17 171.73 1r3h s ILE 4035N 11.44 1.41 -0.04 4.11 2.07 -1.26 -4.25 121.20 134.68 1r3h s ILE 4035Ca 0.73 -2.01 -0.02 0.00 -1.41 0.00 0.00 60.65 57.95 1r3h s ILE 4035Cb -0.05 -1.82 0.03 0.00 0.13 0.00 0.00 42.46 40.75 1r3h s ILE 4035CO 0.06 -0.59 0.05 -0.70 -1.91 0.00 0.00 174.94 171.85 1r3h s GLU 4036N -3.38 -0.05 -0.11 3.50 2.12 -0.96 -5.00 118.70 114.81 1r3h s GLU 4036Ca 0.16 0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.85 1r3h s GLU 4036Cb -0.01 -0.46 -0.00 0.00 0.26 0.00 0.00 34.13 33.92 1r3h s GLU 4036CO 0.03 -0.29 -0.22 0.08 -0.54 0.00 0.00 175.26 174.32 1r3h s VAL 4037N 1.92 2.22 -0.06 3.70 1.01 -1.26 -1.65 120.40 126.29 1r3h s VAL 4037Ca 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1r3h s VAL 4037Cb -0.12 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1r3h s VAL 4037CO -0.03 0.55 -0.07 -1.81 0.00 0.00 0.00 175.10 173.75 1r3h s ASP 4038N 0.37 1.29 -0.06 3.32 1.01 -0.61 -5.02 116.67 116.97 1r3h s ASP 4038Ca -0.17 -0.19 -0.16 0.00 0.71 0.00 0.00 52.55 52.74 1r3h s ASP 4038Cb -0.18 -0.58 -0.05 0.00 1.01 0.00 0.00 42.92 43.12 1r3h s ASP 4038CO 0.08 -0.04 0.43 -0.76 0.21 0.00 0.00 175.17 175.09 1r3h s LEU 4039N 0.93 4.38 -0.09 1.23 1.43 -1.26 -0.80 118.68 124.51 1r3h s LEU 4039Ca -0.10 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1r3h s LEU 4039Cb -0.15 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1r3h s LEU 4039CO 0.00 0.18 -0.12 -0.76 0.23 0.00 0.00 176.35 175.88 1r3h s LEU 4040N -0.29 2.80 -0.30 1.79 1.43 -0.56 -2.21 118.68 121.33 1r3h s LEU 4040Ca 0.24 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1r3h s LEU 4040Cb -0.16 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.53 1r3h s LEU 4040CO 0.12 0.26 -0.03 -0.75 0.23 0.00 0.00 176.35 176.18 1r3h s LYS 4041N -0.22 1.95 -1.78 1.70 2.20 0.43 -1.91 119.74 122.10 1r3h s LYS 4041Ca 0.01 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 1r3h s LYS 4041Cb -0.13 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1r3h s LYS 4041CO 0.03 -0.74 0.00 0.09 -0.36 0.00 0.00 175.35 174.37 1r3h n ASN 4042N 4.38 -5.10 0.00 1.43 3.02 0.46 -2.29 115.26 117.16 1r3h n ASN 4042Ca -0.07 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1r3h n ASN 4042Cb 0.42 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 1r3h n ASN 4042CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3h n GLY 4043N -0.87 0.66 3.37 7.41 0.00 -1.26 -5.00 105.19 109.50 1r3h n GLY 4043Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1r3h n GLY 4043CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3h s GLU 4044N -0.82 1.98 0.27 1.61 2.02 -0.97 -5.05 118.70 117.73 1r3h s GLU 4044Ca 0.00 -1.02 -0.18 0.00 0.02 0.00 0.00 54.97 53.80 1r3h s GLU 4044Cb 0.00 -2.07 -0.09 0.00 0.10 0.00 0.00 34.13 32.07 1r3h s GLU 4044CO 0.00 0.54 0.74 -0.98 0.02 0.00 0.00 175.26 175.57 1r3h s ARG 4045N -1.13 4.14 -0.13 1.61 1.70 -1.26 -0.43 118.95 123.45 1r3h s ARG 4045Ca 0.12 0.79 -0.10 0.00 -0.47 0.00 0.00 55.73 56.07 1r3h s ARG 4045Cb -0.10 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.57 1r3h s ARG 4045CO 0.02 0.28 0.20 0.42 -1.08 0.00 0.00 175.30 175.14 1r3h s ILE 4046N -1.74 5.39 0.00 4.99 1.01 -0.94 -4.94 121.20 124.97 1r3h s ILE 4046Ca 0.48 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1r3h s ILE 4046Cb -0.14 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1r3h s ILE 4046CO 0.19 0.54 0.53 -0.62 0.00 0.00 0.00 174.94 175.58 1r3h n GLU 4047N 2.53 0.00 -1.86 2.79 1.02 -1.26 -4.41 120.64 119.45 1r3h n GLU 4047Ca -0.17 0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.61 1r3h n GLU 4047Cb 0.53 -1.03 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 1r3h n GLU 4047CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1r3h s LYS 4048N -1.12 2.67 -0.13 3.49 2.20 -1.26 -4.92 119.74 120.67 1r3h s LYS 4048Ca 0.00 1.13 -0.04 0.00 -0.36 0.00 0.00 55.97 56.70 1r3h s LYS 4048Cb 0.00 -4.40 0.06 0.00 -1.51 0.00 0.00 37.83 31.98 1r3h s LYS 4048CO 0.00 -2.64 0.12 0.08 -0.36 0.00 0.00 175.35 172.55 1r3h s VAL 4049N 9.41 -0.16 0.53 4.02 1.01 -1.26 -4.87 120.40 129.08 1r3h s VAL 4049Ca 0.81 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.94 1r3h s VAL 4049Cb -0.18 -0.45 0.09 0.00 0.00 0.00 0.00 36.38 35.84 1r3h s VAL 4049CO 0.26 -0.10 0.73 -0.62 0.00 0.00 0.00 175.10 175.37 1r3h n GLU 4050N 5.30 0.64 -3.47 2.72 1.02 -0.96 -4.93 120.64 120.96 1r3h n GLU 4050Ca -0.05 -2.89 -0.06 0.00 -0.02 0.00 0.00 57.16 54.13 1r3h n GLU 4050Cb 0.49 -0.20 0.02 0.00 -0.02 0.00 0.00 31.44 31.74 1r3h n GLU 4050CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1r3h n HIS 4051N -2.15 -1.93 -2.46 -0.32 1.44 -1.26 -1.44 115.22 107.10 1r3h n HIS 4051Ca 0.14 -1.48 -0.24 0.00 -2.01 0.00 0.00 57.72 54.13 1r3h n HIS 4051Cb 0.55 0.74 0.09 0.00 0.12 0.00 0.00 29.99 31.49 1r3h n HIS 4051CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1r3h s SER 4052N -2.91 4.54 0.55 4.39 1.04 -0.98 -5.00 113.70 115.33 1r3h s SER 4052Ca 0.16 -0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.35 1r3h s SER 4052Cb -0.04 -0.45 -0.05 0.00 0.10 0.00 0.00 66.02 65.58 1r3h s SER 4052CO 0.09 -1.73 1.04 -1.81 0.98 0.00 0.00 173.24 171.81 1r3h s ASP 4053N -4.64 6.07 0.19 7.02 1.01 -1.26 -4.86 116.67 120.21 1r3h s ASP 4053Ca 0.64 1.79 -0.31 0.00 0.71 0.00 0.00 52.55 55.38 1r3h s ASP 4053Cb -0.07 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 1r3h s ASP 4053CO 0.44 -0.97 1.48 -0.22 0.21 0.00 0.00 175.17 176.11 1r3h s LEU 4054N -4.20 4.38 0.20 1.23 2.96 -1.26 -4.93 118.68 117.05 1r3h s LEU 4054Ca 0.63 2.58 -0.12 0.00 -0.22 0.00 0.00 54.13 57.00 1r3h s LEU 4054Cb -0.15 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1r3h s LEU 4054CO 0.32 -0.74 0.41 -0.55 -1.32 0.00 0.00 176.35 174.47 1r3h s SER 4055N 0.79 -0.08 0.21 3.68 0.15 -1.26 -5.05 113.70 112.14 1r3h s SER 4055Ca 0.64 -0.79 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1r3h s SER 4055Cb -0.42 0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 64.36 1r3h s SER 4055CO 0.36 -1.01 -0.00 0.72 1.20 0.00 0.00 173.24 174.51 1r3h s PHE 4056N -3.96 1.42 0.43 3.44 -0.12 -1.26 -1.22 117.98 116.71 1r3h s PHE 4056Ca 0.17 -0.96 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 1r3h s PHE 4056Cb 0.01 -0.81 0.08 0.00 -0.63 0.00 0.00 43.02 41.67 1r3h s PHE 4056CO 0.02 -0.10 0.59 0.43 -0.05 0.00 0.00 175.22 176.11 1r3h n SER 4057N -0.35 0.92 0.25 1.98 7.64 0.96 -4.92 113.62 120.11 1r3h n SER 4057Ca -0.06 -1.75 0.08 0.00 1.01 0.00 0.00 58.87 58.16 1r3h n SER 4057Cb 0.63 -0.37 0.62 0.00 -1.01 0.00 0.00 64.21 64.08 1r3h n SER 4057CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1r3h h LYS 4058N 0.00 0.00 -0.31 1.43 1.57 -2.02 0.37 116.57 117.61 1r3h h LYS 4058Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1r3h h LYS 4058Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1r3h h LYS 4058CO 0.22 0.09 0.00 -0.40 -0.57 0.00 0.00 179.45 178.79 1r3h n ASP 4059N -4.31 1.09 0.00 0.86 5.75 -1.26 -4.86 116.55 113.83 1r3h n ASP 4059Ca -0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1r3h n ASP 4059Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1r3h n ASP 4059CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r3h n TRP 4060N 0.00 0.00 -2.99 2.11 7.02 0.12 -4.97 117.44 118.74 1r3h n TRP 4060Ca 0.06 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.13 1r3h n TRP 4060Cb 0.20 -1.02 -0.04 0.00 -2.42 0.00 0.00 31.31 28.02 1r3h n TRP 4060CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1r3h s SER 4061N -2.13 7.08 0.86 -0.99 1.04 -1.26 -4.72 113.70 113.59 1r3h s SER 4061Ca 0.00 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 57.61 1r3h s SER 4061Cb 0.00 -2.44 0.11 0.00 0.10 0.00 0.00 66.02 63.79 1r3h s SER 4061CO 0.00 -0.11 1.15 -0.36 0.98 0.00 0.00 173.24 174.89 1r3h s PHE 4062N 0.67 2.70 -0.05 5.02 0.40 0.26 -0.03 117.98 126.96 1r3h s PHE 4062Ca 0.40 0.85 -0.15 0.00 -0.60 0.00 0.00 56.93 57.43 1r3h s PHE 4062Cb -0.19 -3.39 0.03 0.00 0.51 0.00 0.00 43.02 39.98 1r3h s PHE 4062CO 0.20 -2.10 0.33 1.52 0.70 0.00 0.00 175.22 175.88 1r3h s TYR 4063N -3.36 -0.26 -0.07 0.36 -0.85 -0.36 -2.91 117.35 109.90 1r3h s TYR 4063Ca 0.63 0.49 -0.06 0.00 -0.52 0.00 0.00 57.07 57.61 1r3h s TYR 4063Cb -0.13 0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.34 1r3h s TYR 4063CO 0.52 -0.34 0.18 -0.51 -1.52 0.00 0.00 175.55 173.88 1r3h s LEU 4064N -0.88 1.19 -0.26 -3.49 1.43 0.25 -4.00 118.68 112.92 1r3h s LEU 4064Ca -0.10 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1r3h s LEU 4064Cb -0.04 0.59 -0.01 0.00 0.03 0.00 0.00 46.19 46.76 1r3h s LEU 4064CO 0.03 -0.08 0.04 -0.22 0.23 0.00 0.00 176.35 176.36 1r3h s LEU 4065N 0.30 3.44 -0.33 1.79 2.96 -1.26 -0.63 118.68 124.95 1r3h s LEU 4065Ca -0.02 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 1r3h s LEU 4065Cb -0.03 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1r3h s LEU 4065CO -0.01 -0.09 0.17 -0.31 -1.32 0.00 0.00 176.35 174.79 1r3h s TYR 4066N 1.53 3.20 0.45 5.38 1.51 -1.02 -2.33 117.35 126.08 1r3h s TYR 4066Ca 0.05 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1r3h s TYR 4066Cb -0.16 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.26 1r3h s TYR 4066CO 0.01 -0.50 0.02 1.52 -1.11 0.00 0.00 175.55 175.49 1r3h s TYR 4067N 1.61 2.15 -0.18 2.71 1.13 -0.52 -0.42 117.35 123.82 1r3h s TYR 4067Ca 0.04 -0.85 -0.30 0.00 -1.41 0.00 0.00 57.07 54.56 1r3h s TYR 4067Cb -0.18 -1.64 0.13 0.00 -1.10 0.00 0.00 41.96 39.17 1r3h s TYR 4067CO 0.07 0.29 1.04 -0.08 -2.51 0.00 0.00 175.55 174.35 1r3h s THR 4068N -2.85 0.00 -0.08 -3.49 -1.32 -0.85 -2.26 115.64 104.80 1r3h s THR 4068Ca 0.21 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.40 1r3h s THR 4068Cb 0.06 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1r3h s THR 4068CO 0.11 0.00 1.00 -0.70 -2.21 0.00 0.00 174.62 172.82 1r3h s GLU 4069N -0.98 4.45 0.11 7.08 2.12 -1.26 0.58 118.70 130.81 1r3h s GLU 4069Ca -0.00 1.40 -0.08 0.00 0.36 0.00 0.00 54.97 56.64 1r3h s GLU 4069Cb -0.01 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1r3h s GLU 4069CO -0.00 -0.25 0.21 -0.59 -0.54 0.00 0.00 175.26 174.08 1r3h s PHE 4070N 1.77 0.26 -0.37 5.30 -0.71 -0.40 -4.88 117.98 118.94 1r3h s PHE 4070Ca 0.49 -0.67 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 1r3h s PHE 4070Cb -0.19 -0.08 0.12 0.00 -1.21 0.00 0.00 43.02 41.65 1r3h s PHE 4070CO 0.20 -0.59 0.15 0.95 -1.34 0.00 0.00 175.22 174.59 1r3h s THR 4071N -3.90 1.35 0.29 -4.49 -4.23 -1.26 -0.43 115.64 102.97 1r3h s THR 4071Ca 0.09 -2.07 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 1r3h s THR 4071Cb 0.05 -1.98 -0.14 0.00 1.34 0.00 0.00 72.50 71.77 1r3h s THR 4071CO -0.07 -0.76 1.03 -0.81 -0.54 0.00 0.00 174.62 173.47 1r3h n PRO 4072N 4.18 1.41 -4.31 3.99 -0.04 -1.26 -4.58 135.00 134.39 1r3h n PRO 4072Ca 0.03 0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 63.81 1r3h n PRO 4072Cb 0.39 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1r3h n PRO 4072CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r3h s THR 4073N -1.04 0.28 -1.10 0.52 -4.23 -1.26 -0.65 115.64 108.15 1r3h s THR 4073Ca 0.59 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 1r3h s THR 4073Cb -0.69 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 70.80 1r3h s THR 4073CO 0.60 0.00 1.52 -0.62 -0.54 0.00 0.00 174.62 175.58 1r3h n GLU 4074N -0.53 0.06 -0.03 3.99 1.02 -1.26 -3.91 120.64 119.98 1r3h n GLU 4074Ca 0.02 0.20 -0.05 0.00 -0.02 0.00 0.00 57.16 57.30 1r3h n GLU 4074Cb 0.65 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.55 1r3h n GLU 4074CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r3h n LYS 4075N -1.45 0.11 -1.58 3.49 4.01 -1.26 -5.00 118.16 116.47 1r3h n LYS 4075Ca 0.05 0.04 -0.47 0.00 -0.51 0.00 0.00 58.31 57.43 1r3h n LYS 4075Cb 0.18 -0.74 -0.05 0.00 -0.51 0.00 0.00 35.03 33.91 1r3h n LYS 4075CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1r3h n ASP 4076N -3.15 3.05 -4.71 4.39 8.00 -1.25 -4.94 116.55 117.94 1r3h n ASP 4076Ca -0.10 0.51 -0.37 0.00 0.71 0.00 0.00 54.79 55.55 1r3h n ASP 4076Cb 0.57 -1.42 -0.07 0.00 -0.02 0.00 0.00 41.12 40.18 1r3h n ASP 4076CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1r3h s GLU 4077N 5.59 4.26 0.37 -1.24 2.56 -1.26 -4.67 118.70 124.31 1r3h s GLU 4077Ca 1.00 0.19 0.08 0.00 0.00 0.00 0.00 54.97 56.24 1r3h s GLU 4077Cb -0.59 -3.45 -0.07 0.00 2.00 0.00 0.00 34.13 32.02 1r3h s GLU 4077CO 0.44 0.16 -0.03 0.71 -0.56 0.00 0.00 175.26 175.98 1r3h s TYR 4078N 0.70 2.38 -0.05 5.30 2.02 -1.26 0.18 117.35 126.62 1r3h s TYR 4078Ca 0.19 -0.64 -0.16 0.00 -0.37 0.00 0.00 57.07 56.09 1r3h s TYR 4078Cb -0.14 -1.55 0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1r3h s TYR 4078CO 0.06 0.44 0.69 0.00 -1.57 0.00 0.00 175.55 175.18 1r3h n ALA 4079N -0.85 -2.00 -3.63 3.71 0.00 -0.80 -1.76 120.51 115.17 1r3h n ALA 4079Ca -0.05 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 1r3h n ALA 4079Cb 0.65 -0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.95 1r3h n ALA 4079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r3h s ARG 4081N 0.98 3.21 0.09 0.00 3.52 0.02 -0.79 118.95 125.97 1r3h s ARG 4081Ca -0.08 -0.49 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 1r3h s ARG 4081Cb -0.10 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1r3h s ARG 4081CO -0.04 0.50 -0.13 0.08 -0.81 0.00 0.00 175.30 174.90 1r3h s VAL 4082N -0.35 1.13 -0.14 7.11 1.01 0.12 -1.58 120.40 127.71 1r3h s VAL 4082Ca 0.06 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1r3h s VAL 4082Cb -0.12 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.09 1r3h s VAL 4082CO 0.02 -0.32 0.04 0.20 0.00 0.00 0.00 175.10 175.04 1r3h s ASN 4083N -2.01 2.29 0.03 3.32 -0.87 -0.66 -2.29 114.94 114.75 1r3h s ASN 4083Ca 0.02 -0.51 0.03 0.00 -1.57 0.00 0.00 52.86 50.83 1r3h s ASN 4083Cb -0.08 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.25 40.70 1r3h s ASN 4083CO 0.02 -0.28 -0.09 -2.28 -2.57 0.00 0.00 177.10 171.90 1r3h s HIS 4084N 1.98 0.74 0.31 2.20 2.46 -1.26 -2.28 115.29 119.45 1r3h s HIS 4084Ca 0.02 -0.36 0.04 0.00 0.47 0.00 0.00 55.06 55.23 1r3h s HIS 4084Cb -0.15 -0.45 0.82 0.00 -0.13 0.00 0.00 32.58 32.67 1r3h s HIS 4084CO -0.07 -0.03 1.54 0.28 -2.47 0.00 0.00 174.74 173.99 1r3h n VAL 4085N 1.95 -0.41 -0.66 0.89 0.31 -1.26 -0.57 118.33 118.57 1r3h n VAL 4085Ca -0.19 2.15 -0.05 0.00 -0.01 0.00 0.00 64.34 66.24 1r3h n VAL 4085Cb 0.56 -3.17 -0.07 0.00 -0.91 0.00 0.00 33.84 30.24 1r3h n VAL 4085CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1r3h n THR 4086N -5.45 2.22 -3.76 2.52 -2.24 -1.26 -4.78 114.28 101.53 1r3h n THR 4086Ca 0.25 -0.87 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 1r3h n THR 4086Cb 0.81 -1.68 -0.16 0.00 -2.10 0.00 0.00 70.33 67.20 1r3h n THR 4086CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r3h s LEU 4087N 0.00 0.98 0.35 3.22 1.43 0.26 -4.86 118.68 120.05 1r3h s LEU 4087Ca 0.28 0.05 0.18 0.00 -1.03 0.00 0.00 54.13 53.61 1r3h s LEU 4087Cb 0.13 -0.07 0.42 0.00 0.03 0.00 0.00 46.19 46.71 1r3h s LEU 4087CO 0.00 -0.14 1.61 -1.28 0.23 0.00 0.00 176.35 176.77 1r3h h SER 4088N 7.41 0.00 -4.91 2.29 0.87 -1.86 -3.47 113.55 113.87 1r3h h SER 4088Ca -0.43 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1r3h h SER 4088Cb 1.12 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.96 1r3h h SER 4088CO 0.45 0.39 0.30 0.00 -0.53 0.00 0.00 176.83 177.44 1r3h s GLN 4089N -3.28 1.19 0.23 2.24 -2.07 -1.26 -5.14 119.66 111.56 1r3h s GLN 4089Ca 0.02 -0.47 -0.29 0.00 -1.82 0.00 0.00 55.36 52.80 1r3h s GLN 4089Cb 0.09 0.52 -0.16 0.00 -1.09 0.00 0.00 33.01 32.38 1r3h s GLN 4089CO 0.70 -0.52 0.84 -2.30 -1.32 0.00 0.00 175.29 172.69 1r3h n PRO 4090N -0.35 0.75 -3.90 9.60 -0.02 -1.26 -4.97 135.00 134.85 1r3h n PRO 4090Ca -0.13 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 1r3h n PRO 4090Cb 0.63 -1.51 -0.12 0.00 -0.02 0.00 0.00 33.50 32.48 1r3h n PRO 4090CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1r3h s LYS 4091N -1.13 3.73 -0.26 -0.52 2.36 -0.97 -4.96 119.74 118.00 1r3h s LYS 4091Ca 0.64 -0.45 0.02 0.00 -2.55 0.00 0.00 55.97 53.63 1r3h s LYS 4091Cb -0.83 -3.25 0.06 0.00 -1.05 0.00 0.00 37.83 32.77 1r3h s LYS 4091CO 0.57 -0.03 -0.07 0.42 1.55 0.00 0.00 175.35 177.79 1r3h s ILE 4092N 1.17 1.92 -0.11 5.43 1.01 -1.26 -0.70 121.20 128.66 1r3h s ILE 4092Ca 0.04 -1.54 -0.06 0.00 0.00 0.00 0.00 60.65 59.09 1r3h s ILE 4092Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1r3h s ILE 4092CO 0.03 -0.11 0.12 -0.69 0.00 0.00 0.00 174.94 174.29 1r3h s VAL 4093N 1.20 5.34 0.77 2.92 1.01 0.03 -4.93 120.40 126.74 1r3h s VAL 4093Ca -0.06 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1r3h s VAL 4093Cb -0.19 -3.32 0.14 0.00 0.00 0.00 0.00 36.38 33.00 1r3h s VAL 4093CO -0.06 0.61 1.07 -0.54 0.00 0.00 0.00 175.10 176.18 1r3h s LYS 4094N -1.02 1.50 -0.53 2.72 1.02 -1.26 -0.18 119.74 121.99 1r3h s LYS 4094Ca 0.15 -0.84 -0.04 0.00 0.02 0.00 0.00 55.97 55.25 1r3h s LYS 4094Cb -0.12 -2.20 0.14 0.00 -0.52 0.00 0.00 37.83 35.13 1r3h s LYS 4094CO 0.04 -1.64 0.35 -0.46 -0.92 0.00 0.00 175.35 172.72 1r3h s TRP 4095N -3.32 3.50 0.55 3.18 -0.00 -0.72 -4.68 118.94 117.44 1r3h s TRP 4095Ca 0.67 -2.44 -0.21 0.00 -0.00 0.00 0.00 56.10 54.13 1r3h s TRP 4095Cb -0.06 -3.29 -0.05 0.00 -0.00 0.00 0.00 33.47 30.08 1r3h s TRP 4095CO 0.46 -0.92 1.24 0.34 -0.00 0.00 0.00 176.95 178.07 1r3h s ASP 4096N 1.50 5.42 0.43 5.86 3.68 -1.26 -4.79 116.67 127.50 1r3h s ASP 4096Ca 0.12 2.48 0.22 0.00 2.13 0.00 0.00 52.55 57.50 1r3h s ASP 4096Cb -0.22 -2.61 1.20 0.00 -1.45 0.00 0.00 42.92 39.84 1r3h s ASP 4096CO -0.04 -1.44 1.77 0.03 0.13 0.00 0.00 175.17 175.62 1r3h h ARG 4097N 1.31 0.30 -2.00 4.34 2.47 -1.98 -3.27 114.38 115.55 1r3h h ARG 4097Ca -0.50 -0.02 -0.48 0.00 -1.26 0.00 0.00 59.98 57.72 1r3h h ARG 4097Cb 1.29 -0.07 -0.32 0.00 -1.65 0.00 0.00 29.97 29.22 1r3h h ARG 4097CO 0.57 0.20 -0.86 -0.40 0.56 0.00 0.00 179.97 180.04 1r3h n ASP 4098N -4.55 -1.23 0.00 7.04 5.75 -1.26 -4.73 116.55 117.57 1r3h n ASP 4098Ca 0.26 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1r3h n ASP 4098Cb 0.96 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 1r3h n ASP 4098CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89