#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u s GLN 3613N 0.00 2.98 0.58 0.38 -0.21 -1.26 -4.92 119.66 117.22 1a5u s GLN 3613Ca 0.00 1.34 -0.02 0.00 0.02 0.00 0.00 55.36 56.71 1a5u s GLN 3613Cb 0.00 -1.98 0.12 0.00 1.00 0.00 0.00 33.01 32.15 1a5u s GLN 3613CO 0.00 -1.10 0.80 0.25 -2.12 0.00 0.00 175.29 173.12 1a5u n THR 3614N -2.25 0.00 -3.54 -0.19 -2.24 -1.26 -4.21 114.28 100.59 1a5u n THR 3614Ca 0.10 -1.15 -0.23 0.00 -2.27 0.00 0.00 64.05 60.50 1a5u n THR 3614Cb 0.52 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1a5u n THR 3614CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1a5u n GLN 3615N -2.52 -2.15 -3.36 -0.78 7.27 0.63 -1.50 117.38 114.97 1a5u n GLN 3615Ca 0.13 0.18 -0.22 0.00 0.07 0.00 0.00 57.00 57.15 1a5u n GLN 3615Cb 0.45 -4.76 -0.01 0.00 2.41 0.00 0.00 30.24 28.33 1a5u n GLN 3615CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a5u n GLN 3616N -3.43 -2.98 0.17 3.69 1.13 -1.26 -4.81 117.38 109.89 1a5u n GLN 3616Ca 0.04 0.39 0.02 0.00 -1.94 0.00 0.00 57.00 55.52 1a5u n GLN 3616Cb 0.49 -5.05 0.37 0.00 0.11 0.00 0.00 30.24 26.15 1a5u n GLN 3616CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 3617N -0.81 0.06 -0.66 1.08 3.38 -1.54 -0.08 115.31 116.74 1a5u h LEU 3617Ca -0.39 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1a5u h LEU 3617Cb 1.26 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1a5u h LEU 3617CO 0.51 0.38 0.01 -0.74 0.09 0.00 0.00 178.44 178.69 1a5u h HIS 3618N 0.05 1.15 0.00 1.13 2.76 -1.87 -1.93 115.15 116.44 1a5u h HIS 3618Ca 0.01 -0.19 -0.07 0.00 -2.20 0.00 0.00 60.37 57.92 1a5u h HIS 3618Cb 0.59 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1a5u h HIS 3618CO 0.00 1.00 -0.32 0.00 -1.30 0.00 0.00 177.93 177.32 1a5u h ALA 3619N 1.03 0.96 0.00 5.26 0.00 -1.61 -2.29 119.26 122.62 1a5u h ALA 3619Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1a5u h ALA 3619Cb 0.54 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a5u h ALA 3619CO 0.03 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 1a5u h ALA 3620N 1.68 1.55 -0.14 0.00 0.00 -0.25 0.25 119.26 122.35 1a5u h ALA 3620Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a5u h ALA 3620Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1a5u h ALA 3620CO 0.04 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 1a5u n MET 3621N -3.97 1.45 -1.81 0.00 2.81 -0.86 -4.76 117.12 109.98 1a5u n MET 3621Ca -0.03 -0.68 -0.35 0.00 -1.81 0.00 0.00 57.70 54.83 1a5u n MET 3621Cb 0.16 -1.27 0.05 0.00 -0.71 0.00 0.00 33.22 31.45 1a5u n MET 3621CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u s ALA 3622N -1.81 2.41 -0.12 3.04 0.00 0.08 -4.96 121.76 120.39 1a5u s ALA 3622Ca 0.24 0.90 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 1a5u s ALA 3622Cb 0.12 -3.44 -0.26 0.00 0.00 0.00 0.00 23.12 19.55 1a5u s ALA 3622CO 0.18 -1.39 0.48 0.38 0.00 0.00 0.00 175.76 175.41 1a5u h ASP 3623N 0.41 0.33 -3.37 0.00 2.03 -1.91 -3.47 116.42 110.42 1a5u h ASP 3623Ca -0.49 -0.82 -0.65 0.00 -0.73 0.00 0.00 57.03 54.33 1a5u h ASP 3623Cb 1.29 -0.11 -0.16 0.00 -0.83 0.00 0.00 39.33 39.52 1a5u h ASP 3623CO 0.53 1.63 -0.75 -0.89 -1.03 0.00 0.00 179.24 178.73 1a5u s THR 3624N -2.47 3.11 0.20 1.15 2.01 -1.26 -5.02 115.64 113.36 1a5u s THR 3624Ca -0.22 -1.52 -0.11 0.00 0.31 0.00 0.00 61.69 60.16 1a5u s THR 3624Cb 0.05 -2.49 0.14 0.00 0.01 0.00 0.00 72.50 70.21 1a5u s THR 3624CO 0.74 0.01 1.71 0.15 -0.69 0.00 0.00 174.62 176.55 1a5u h PHE 3625N 3.35 0.20 0.02 4.92 3.57 -1.99 0.62 116.94 127.63 1a5u h PHE 3625Ca -0.48 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.08 1a5u h PHE 3625Cb 1.18 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1a5u h PHE 3625CO 0.62 -0.00 -0.22 1.25 -2.23 0.00 0.00 178.31 177.73 1a5u h LEU 3626N 0.26 -0.64 -0.59 0.59 5.85 -2.00 -1.89 115.31 116.90 1a5u h LEU 3626Ca 0.28 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1a5u h LEU 3626Cb 0.39 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1a5u h LEU 3626CO -0.36 -0.29 0.31 -0.08 -0.34 0.00 0.00 178.44 177.68 1a5u h GLU 3627N -0.36 0.56 -0.92 1.25 4.57 -1.85 -1.62 114.58 116.21 1a5u h GLU 3627Ca 0.05 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.39 1a5u h GLU 3627Cb 0.43 -0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.78 1a5u h GLU 3627CO -0.19 0.37 0.50 1.25 -1.18 0.00 0.00 179.01 179.77 1a5u h HIS 3628N 0.58 0.87 -0.31 0.92 2.76 -0.14 -1.49 115.15 118.34 1a5u h HIS 3628Ca 0.27 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.36 1a5u h HIS 3628Cb 0.18 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1a5u h HIS 3628CO -0.10 0.14 -0.22 0.52 -1.30 0.00 0.00 177.93 176.97 1a5u h MET 3629N 0.62 0.70 -0.20 5.26 2.86 -0.60 -3.09 114.93 120.47 1a5u h MET 3629Ca 0.54 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1a5u h MET 3629Cb 0.87 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1a5u h MET 3629CO -0.41 0.94 0.15 0.00 1.06 0.00 0.00 176.91 178.65 1a5u n ARG 3631N -4.40 1.87 -2.04 0.00 1.74 -0.84 -4.90 116.66 108.10 1a5u n ARG 3631Ca 0.02 -1.30 -0.42 0.00 -0.77 0.00 0.00 57.85 55.38 1a5u n ARG 3631Cb 0.29 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1a5u n ARG 3631CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5u s LEU 3632N -1.73 4.32 -0.21 0.55 1.43 -0.68 -4.29 118.68 118.07 1a5u s LEU 3632Ca 0.34 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.66 1a5u s LEU 3632Cb 0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1a5u s LEU 3632CO 0.29 -0.88 -0.09 -0.62 0.23 0.00 0.00 176.35 175.29 1a5u s ASP 3633N 2.90 3.98 0.49 2.29 -1.08 -1.26 -4.98 116.67 119.01 1a5u s ASP 3633Ca 0.71 -0.50 0.28 0.00 -0.52 0.00 0.00 52.55 52.52 1a5u s ASP 3633Cb -0.34 -1.66 1.15 0.00 -1.46 0.00 0.00 42.92 40.61 1a5u s ASP 3633CO 0.29 -0.02 1.92 0.16 0.52 0.00 0.00 175.17 178.03 1a5u h ILE 3634N 5.81 0.38 -0.24 4.11 3.07 -2.01 -1.87 117.51 126.76 1a5u h ILE 3634Ca -0.42 -0.84 0.00 0.00 1.55 0.00 0.00 64.86 65.15 1a5u h ILE 3634Cb 1.15 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1a5u h ILE 3634CO 0.61 0.14 0.00 0.47 -1.05 0.00 0.00 178.15 178.32 1a5u n ASP 3635N -3.33 1.84 -4.48 2.16 8.00 -1.26 -4.71 116.55 114.77 1a5u n ASP 3635Ca -0.00 -1.81 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 1a5u n ASP 3635Cb 0.36 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1a5u n ASP 3635CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 3636N -1.38 6.11 0.37 -2.24 0.15 -0.70 -4.91 113.70 111.10 1a5u s SER 3636Ca 0.30 -0.75 -0.24 0.00 0.70 0.00 0.00 55.95 55.96 1a5u s SER 3636Cb 0.16 -2.17 -0.10 0.00 -1.71 0.00 0.00 66.02 62.21 1a5u s SER 3636CO 0.23 -0.42 0.96 0.00 1.20 0.00 0.00 173.24 175.22 1a5u s ALA 3637N 1.76 3.13 0.68 5.45 0.00 -1.26 -4.51 121.76 127.01 1a5u s ALA 3637Ca 0.06 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.43 1a5u s ALA 3637Cb -0.18 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1a5u s ALA 3637CO 0.11 0.10 1.06 -1.25 0.00 0.00 0.00 175.76 175.77 1a5u s PRO 3638N -2.50 2.87 0.78 0.00 0.04 -1.26 0.23 135.00 135.16 1a5u s PRO 3638Ca 0.55 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.85 1a5u s PRO 3638Cb -0.16 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.37 1a5u s PRO 3638CO 0.21 -0.97 1.12 0.96 0.04 0.00 0.00 177.00 178.35 1a5u s ILE 3639N -3.29 2.90 0.15 0.56 -4.36 -1.26 -4.79 121.20 111.11 1a5u s ILE 3639Ca 0.57 0.29 -0.05 0.00 -0.26 0.00 0.00 60.65 61.21 1a5u s ILE 3639Cb -0.11 -3.16 -0.12 0.00 1.25 0.00 0.00 42.46 40.32 1a5u s ILE 3639CO 0.50 -0.38 1.40 0.71 0.24 0.00 0.00 174.94 177.41 1a5u h THR 3640N -0.99 1.35 -3.06 8.37 1.35 -1.94 -3.44 112.91 114.54 1a5u h THR 3640Ca -0.47 -2.10 -0.53 0.00 -0.55 0.00 0.00 66.41 62.77 1a5u h THR 3640Cb 1.28 2.08 0.03 0.00 -1.73 0.00 0.00 68.15 69.81 1a5u h THR 3640CO 0.62 0.64 0.76 0.00 -0.25 0.00 0.00 175.52 177.29 1a5u s ALA 3641N -3.65 3.63 -0.30 6.62 0.00 -1.26 -5.02 121.76 121.79 1a5u s ALA 3641Ca -0.07 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 1a5u s ALA 3641Cb 0.10 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1a5u s ALA 3641CO 0.86 -0.66 0.05 0.50 0.00 0.00 0.00 175.76 176.51 1a5u s ARG 3642N 0.75 2.85 0.29 0.00 3.00 -1.26 -4.91 118.95 119.66 1a5u s ARG 3642Ca 0.64 -1.01 0.17 0.00 -1.00 0.00 0.00 55.73 54.54 1a5u s ARG 3642Cb -0.39 -3.29 0.10 0.00 0.00 0.00 0.00 34.95 31.37 1a5u s ARG 3642CO 0.33 -0.51 1.40 -0.91 0.00 0.00 0.00 175.30 175.61 1a5u h ASN 3643N 8.15 0.00 -3.35 -2.12 -0.26 -1.94 -3.45 115.58 112.61 1a5u h ASN 3643Ca -0.28 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 54.88 1a5u h ASN 3643Cb 1.10 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.29 1a5u h ASN 3643CO 0.59 0.37 0.24 -0.89 -1.06 0.00 0.00 177.43 176.68 1a5u s THR 3644N -3.03 4.96 0.56 2.81 2.01 -1.26 -0.05 115.64 121.63 1a5u s THR 3644Ca 0.04 1.46 -0.20 0.00 0.31 0.00 0.00 61.69 63.30 1a5u s THR 3644Cb 0.07 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1a5u s THR 3644CO 0.74 0.10 1.19 -0.83 -0.69 0.00 0.00 174.62 175.13 1a5u s GLY 3645N 1.10 2.73 -0.25 4.40 0.00 -1.09 -4.84 107.32 109.36 1a5u s GLY 3645Ca 0.35 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 1a5u s GLY 3645CO 0.13 1.37 -0.03 -0.42 0.00 0.00 0.00 173.10 174.14 1a5u s ILE 3646N -1.62 3.16 -0.15 0.90 1.01 -1.26 -0.80 121.20 122.44 1a5u s ILE 3646Ca 0.74 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1a5u s ILE 3646Cb -0.29 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1a5u s ILE 3646CO 0.32 0.22 0.21 -0.63 0.00 0.00 0.00 174.94 175.07 1a5u s ILE 3647N 1.39 5.36 -0.04 2.92 1.01 0.49 -2.04 121.20 130.28 1a5u s ILE 3647Ca 0.02 0.37 0.05 0.00 0.00 0.00 0.00 60.65 61.09 1a5u s ILE 3647Cb -0.16 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1a5u s ILE 3647CO -0.03 0.48 -0.20 0.00 0.00 0.00 0.00 174.94 175.18 1a5u s THR 3649N -0.12 4.92 -0.05 0.00 2.01 -0.64 0.08 115.64 121.84 1a5u s THR 3649Ca -0.02 1.27 -0.16 0.00 0.31 0.00 0.00 61.69 63.09 1a5u s THR 3649Cb -0.12 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 1a5u s THR 3649CO 0.02 -0.03 0.42 -0.63 -0.69 0.00 0.00 174.62 173.71 1a5u s ILE 3650N 2.65 5.10 0.00 1.82 -1.09 -0.97 -1.21 121.20 127.50 1a5u s ILE 3650Ca 0.29 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1a5u s ILE 3650Cb -0.15 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1a5u s ILE 3650CO 0.08 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1a5u n GLY 3651N 2.44 3.35 0.30 6.18 0.00 -1.19 -4.75 105.19 111.52 1a5u n GLY 3651Ca -0.11 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.85 1a5u n GLY 3651CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 3652N 0.00 -0.07 0.29 1.61 -0.05 -1.11 0.11 135.00 135.78 1a5u n PRO 3652Ca 0.00 1.30 0.17 0.00 -0.05 0.00 0.00 63.50 64.92 1a5u n PRO 3652Cb 0.00 -1.97 0.88 0.00 -0.05 0.00 0.00 33.50 32.36 1a5u n PRO 3652CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1a5u h ALA 3653N 1.68 1.11 0.00 0.55 0.00 -1.74 -3.32 119.26 117.54 1a5u h ALA 3653Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1a5u h ALA 3653Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a5u h ALA 3653CO -0.84 0.06 -0.00 -1.13 0.00 0.00 0.00 179.25 177.33 1a5u n SER 3654N -3.30 0.47 0.17 0.00 3.41 0.29 -4.89 113.62 109.76 1a5u n SER 3654Ca -0.01 -1.24 0.13 0.00 -0.26 0.00 0.00 58.87 57.48 1a5u n SER 3654Cb 0.20 -0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.51 1a5u n SER 3654CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 3655N 0.00 0.00 -7.12 4.33 3.08 -0.97 -3.38 114.38 110.32 1a5u h ARG 3655Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1a5u h ARG 3655Cb 0.89 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.96 1a5u h ARG 3655CO 0.00 0.00 0.37 -1.54 -1.07 0.00 0.00 179.97 177.73 1a5u s SER 3656N -5.24 6.34 0.17 7.04 1.04 -1.26 -4.82 113.70 116.97 1a5u s SER 3656Ca 0.08 1.81 -0.15 0.00 0.48 0.00 0.00 55.95 58.17 1a5u s SER 3656Cb 0.09 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.73 1a5u s SER 3656CO 0.60 -0.78 1.82 0.58 0.98 0.00 0.00 173.24 176.43 1a5u h VAL 3657N 1.23 1.08 -0.74 5.02 2.07 -1.90 -0.96 116.25 122.05 1a5u h VAL 3657Ca -0.48 -0.21 0.17 0.00 0.82 0.00 0.00 66.70 67.00 1a5u h VAL 3657Cb 1.21 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 31.28 1a5u h VAL 3657CO 0.59 0.11 0.11 -0.08 0.02 0.00 0.00 177.57 178.33 1a5u h GLU 3658N 0.61 0.19 -0.02 1.57 4.81 -1.95 -1.37 114.58 118.41 1a5u h GLU 3658Ca 0.19 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.16 1a5u h GLU 3658Cb -0.02 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.33 1a5u h GLU 3658CO -0.07 0.13 -0.96 1.15 -0.73 0.00 0.00 179.01 178.53 1a5u h THR 3659N 0.19 1.29 -0.91 0.32 2.02 -1.79 -3.10 112.91 110.94 1a5u h THR 3659Ca 0.42 -2.18 0.12 0.00 0.77 0.00 0.00 66.41 65.53 1a5u h THR 3659Cb 0.74 2.34 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 1a5u h THR 3659CO -0.57 0.67 0.59 -0.07 0.37 0.00 0.00 175.52 176.51 1a5u h LEU 3660N 0.37 0.78 -0.67 2.58 3.38 -0.33 0.63 115.31 122.05 1a5u h LEU 3660Ca -0.11 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1a5u h LEU 3660Cb 1.62 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 1a5u h LEU 3660CO 0.19 0.43 0.43 0.11 0.09 0.00 0.00 178.44 179.70 1a5u h LYS 3661N 0.85 0.85 -0.27 1.13 1.57 -1.24 0.73 116.57 120.19 1a5u h LYS 3661Ca 0.44 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1a5u h LYS 3661Cb 0.52 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1a5u h LYS 3661CO -0.20 0.56 -0.37 0.93 -0.57 0.00 0.00 179.45 179.80 1a5u h GLU 3662N 0.88 0.61 -0.89 3.15 4.39 -0.60 -2.23 114.58 119.88 1a5u h GLU 3662Ca 0.25 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1a5u h GLU 3662Cb -0.06 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1a5u h GLU 3662CO -0.07 0.88 0.58 0.52 -1.16 0.00 0.00 179.01 179.77 1a5u h MET 3663N 0.51 1.18 0.51 2.33 2.86 0.13 0.66 114.93 123.10 1a5u h MET 3663Ca 0.05 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1a5u h MET 3663Cb 0.87 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1a5u h MET 3663CO 0.08 0.79 -0.24 0.82 1.06 0.00 0.00 176.91 179.41 1a5u h ILE 3664N 1.22 0.00 -1.06 -1.22 2.04 -0.63 0.22 117.51 118.08 1a5u h ILE 3664Ca 0.33 -0.15 0.28 0.00 1.00 0.00 0.00 64.86 66.32 1a5u h ILE 3664Cb -0.13 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.84 1a5u h ILE 3664CO -0.07 0.00 0.66 0.11 0.00 0.00 0.00 178.15 178.85 1a5u h LYS 3665N -0.82 0.39 0.00 2.37 1.57 -1.30 0.27 116.57 119.04 1a5u h LYS 3665Ca -0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a5u h LYS 3665Cb 0.52 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1a5u h LYS 3665CO 0.11 0.26 0.00 -1.13 -0.57 0.00 0.00 179.45 178.12 1a5u n SER 3666N -4.74 0.35 0.00 0.86 3.41 0.21 -4.89 113.62 108.82 1a5u n SER 3666Ca 0.28 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1a5u n SER 3666Cb 0.91 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1a5u n SER 3666CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5u n GLY 3667N 0.48 1.17 3.68 5.00 0.00 0.94 -4.27 105.19 112.20 1a5u n GLY 3667Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 1a5u n GLY 3667CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a5u n MET 3668N 0.00 1.82 -0.09 1.61 0.00 0.05 -4.56 117.12 115.94 1a5u n MET 3668Ca 0.00 0.66 -0.11 0.00 0.00 0.00 0.00 57.70 58.26 1a5u n MET 3668Cb 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 33.22 30.66 1a5u n MET 3668CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a5u n ASN 3669N 5.52 1.51 -3.92 6.12 5.03 -0.87 -4.70 115.26 123.96 1a5u n ASN 3669Ca 0.23 -0.04 -0.18 0.00 0.87 0.00 0.00 54.58 55.45 1a5u n ASN 3669Cb 0.24 0.43 -0.16 0.00 -1.02 0.00 0.00 39.78 39.28 1a5u n ASN 3669CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a5u s VAL 3670N -2.40 0.47 -0.25 2.41 1.01 -1.18 -1.47 120.40 118.99 1a5u s VAL 3670Ca -0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1a5u s VAL 3670Cb 0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1a5u s VAL 3670CO 0.60 0.18 0.19 0.00 0.00 0.00 0.00 175.10 176.07 1a5u s ALA 3671N 0.49 3.58 -0.23 5.51 0.00 0.11 -1.14 121.76 130.08 1a5u s ALA 3671Ca -0.06 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1a5u s ALA 3671Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1a5u s ALA 3671CO -0.00 -0.34 0.04 0.50 0.00 0.00 0.00 175.76 175.96 1a5u s ARG 3672N 1.35 3.63 -0.37 0.00 3.52 0.11 -0.21 118.95 126.98 1a5u s ARG 3672Ca 0.08 -0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 1a5u s ARG 3672Cb -0.14 -3.23 0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1a5u s ARG 3672CO 0.07 -0.13 0.21 -1.64 -0.81 0.00 0.00 175.30 173.00 1a5u s MET 3673N 1.42 2.99 -0.69 5.12 -1.94 0.11 -2.29 119.30 124.02 1a5u s MET 3673Ca 0.05 -0.98 -0.25 0.00 -1.71 0.00 0.00 55.69 52.80 1a5u s MET 3673Cb -0.15 -3.75 0.04 0.00 2.01 0.00 0.00 34.83 32.99 1a5u s MET 3673CO 0.02 -0.64 1.15 1.21 -0.01 0.00 0.00 175.02 176.75 1a5u s ASN 3674N 1.60 6.19 0.00 3.03 3.84 -1.26 0.32 114.94 128.66 1a5u s ASN 3674Ca 0.03 -0.60 0.15 0.00 0.21 0.00 0.00 52.86 52.66 1a5u s ASN 3674Cb -0.19 -2.50 0.91 0.00 -0.55 0.00 0.00 41.25 38.92 1a5u s ASN 3674CO 0.07 -1.65 1.35 0.49 -2.79 0.00 0.00 177.10 174.57 1a5u n PHE 3675N 8.65 0.00 1.23 0.43 3.01 0.36 -0.58 117.46 130.56 1a5u n PHE 3675Ca 0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.61 1a5u n PHE 3675Cb 0.48 -0.02 0.67 0.00 -0.01 0.00 0.00 39.48 40.59 1a5u n PHE 3675CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1a5u n SER 3676N -1.02 0.06 -4.18 4.37 7.64 -1.26 -4.56 113.62 114.67 1a5u n SER 3676Ca 0.11 0.09 -0.17 0.00 1.01 0.00 0.00 58.87 59.91 1a5u n SER 3676Cb 0.06 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 1a5u n SER 3676CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a5u s HIS 3677N -2.76 1.17 0.38 1.43 3.76 0.26 -5.06 115.29 114.46 1a5u s HIS 3677Ca 0.22 -0.55 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1a5u s HIS 3677Cb 0.20 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 33.25 1a5u s HIS 3677CO 0.50 0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 1a5u n GLY 3678N 0.87 -2.06 4.02 -2.22 0.00 -1.26 -4.84 105.19 99.71 1a5u n GLY 3678Ca -0.18 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 1a5u n GLY 3678CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a5u s THR 3679N -2.79 2.16 0.13 2.61 -1.32 -1.26 -4.96 115.64 110.22 1a5u s THR 3679Ca 0.00 -0.90 -0.15 0.00 -1.21 0.00 0.00 61.69 59.42 1a5u s THR 3679Cb 0.00 -2.26 -0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1a5u s THR 3679CO 0.00 0.00 1.66 0.45 -2.21 0.00 0.00 174.62 174.52 1a5u h HIS 3680N 0.02 0.67 -0.18 9.09 -0.00 -1.99 -1.79 115.15 120.96 1a5u h HIS 3680Ca -0.32 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 59.95 1a5u h HIS 3680Cb 1.28 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 1a5u h HIS 3680CO 0.28 0.61 -0.06 1.05 -0.00 0.00 0.00 177.93 179.81 1a5u h GLU 3681N 0.53 0.28 -0.02 2.45 4.11 -1.99 0.11 114.58 120.05 1a5u h GLU 3681Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 1a5u h GLU 3681Cb 0.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1a5u h GLU 3681CO -0.00 0.36 -0.02 -0.92 0.07 0.00 0.00 179.01 178.49 1a5u h TYR 3682N 0.27 0.05 -0.50 2.06 5.03 -1.87 -2.93 116.97 119.08 1a5u h TYR 3682Ca 0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1a5u h TYR 3682Cb 0.29 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1a5u h TYR 3682CO 0.01 0.55 0.33 0.45 -1.32 0.00 0.00 178.16 178.18 1a5u h HIS 3683N -0.47 0.63 -0.50 -3.82 3.86 -1.10 -1.25 115.15 112.50 1a5u h HIS 3683Ca 0.00 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1a5u h HIS 3683Cb 0.54 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1a5u h HIS 3683CO 0.11 0.40 0.34 0.00 0.86 0.00 0.00 177.93 179.64 1a5u h ALA 3684N 1.18 2.11 0.05 2.45 0.00 -0.80 0.14 119.26 124.38 1a5u h ALA 3684Ca 0.18 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 3684Cb -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a5u h ALA 3684CO -0.04 -0.22 -0.81 1.49 0.00 0.00 0.00 179.25 179.66 1a5u h GLU 3685N 0.28 0.47 -0.18 0.00 4.81 -1.17 -0.47 114.58 118.31 1a5u h GLU 3685Ca 0.23 -0.57 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1a5u h GLU 3685Cb 0.55 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 1a5u h GLU 3685CO -0.05 1.21 -0.27 1.15 -0.73 0.00 0.00 179.01 180.32 1a5u h THR 3686N -0.02 0.37 -0.69 0.32 2.02 -0.64 0.52 112.91 114.78 1a5u h THR 3686Ca -0.12 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.16 1a5u h THR 3686Cb 1.53 0.37 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 1a5u h THR 3686CO 0.16 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.77 1a5u h ILE 3687N -0.31 0.81 -0.12 3.11 2.04 -1.00 0.47 117.51 122.51 1a5u h ILE 3687Ca 0.11 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1a5u h ILE 3687Cb 0.49 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1a5u h ILE 3687CO -0.35 0.10 -0.10 0.50 0.00 0.00 0.00 178.15 178.29 1a5u h LYS 3688N 0.54 -0.11 -0.42 2.37 3.64 0.81 0.00 116.57 123.39 1a5u h LYS 3688Ca 0.35 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1a5u h LYS 3688Cb 0.40 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1a5u h LYS 3688CO -0.29 -0.08 0.13 -0.91 -2.27 0.00 0.00 179.45 176.03 1a5u h ASN 3689N -0.12 0.56 -0.55 4.20 -0.26 0.16 -0.75 115.58 118.82 1a5u h ASN 3689Ca 0.08 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1a5u h ASN 3689Cb 0.23 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1a5u h ASN 3689CO -0.19 0.55 0.29 0.58 -1.06 0.00 0.00 177.43 177.60 1a5u h VAL 3690N 0.61 1.19 0.00 2.81 2.07 0.88 -2.14 116.25 121.66 1a5u h VAL 3690Ca 0.14 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1a5u h VAL 3690Cb 0.19 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1a5u h VAL 3690CO -0.01 0.20 -0.34 0.03 0.02 0.00 0.00 177.57 177.47 1a5u h ARG 3691N 0.74 0.00 -0.26 1.57 3.08 -0.43 -2.62 114.38 116.45 1a5u h ARG 3691Ca 0.19 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1a5u h ARG 3691Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1a5u h ARG 3691CO -0.03 0.34 -0.10 1.15 -1.07 0.00 0.00 179.97 180.26 1a5u h THR 3692N 0.00 1.29 0.43 2.04 2.02 -0.72 -1.96 112.91 116.01 1a5u h THR 3692Ca -0.00 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 1a5u h THR 3692Cb 0.96 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1a5u h THR 3692CO 0.04 0.36 -0.21 0.00 0.37 0.00 0.00 175.52 176.09 1a5u h ALA 3693N 0.75 -0.58 0.06 6.16 0.00 -1.38 -1.02 119.26 123.25 1a5u h ALA 3693Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1a5u h ALA 3693Cb 0.59 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1a5u h ALA 3693CO 0.03 -0.80 -0.41 1.15 0.00 0.00 0.00 179.25 179.23 1a5u h THR 3694N -0.63 0.17 -0.03 0.00 2.02 -1.49 -0.41 112.91 112.54 1a5u h THR 3694Ca -0.06 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1a5u h THR 3694Cb 0.47 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1a5u h THR 3694CO 0.10 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 175.69 1a5u h GLU 3695N -0.60 0.00 -0.57 6.66 4.39 -1.34 -2.33 114.58 120.78 1a5u h GLU 3695Ca 0.04 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.90 1a5u h GLU 3695Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1a5u h GLU 3695CO -0.28 0.00 0.49 0.66 -1.16 0.00 0.00 179.01 178.72 1a5u h SER 3696N 0.00 0.00 -0.45 1.42 4.64 0.34 0.17 113.55 119.67 1a5u h SER 3696Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1a5u h SER 3696Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1a5u h SER 3696CO -0.00 0.00 0.03 0.49 -0.87 0.00 0.00 176.83 176.48 1a5u n PHE 3697N -4.01 1.59 1.48 4.77 3.01 -0.88 -4.54 117.46 118.89 1a5u n PHE 3697Ca 0.11 -0.90 0.14 0.00 1.01 0.00 0.00 57.45 57.81 1a5u n PHE 3697Cb 0.71 -0.45 0.59 0.00 -0.01 0.00 0.00 39.48 40.32 1a5u n PHE 3697CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a5u n ALA 3698N -0.07 2.76 -0.10 4.37 0.00 0.59 -3.69 120.51 124.36 1a5u n ALA 3698Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1a5u n ALA 3698Cb 1.09 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1a5u n ALA 3698CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5u h SER 3699N 1.10 -0.15 -3.66 0.00 4.64 -1.80 -3.27 113.55 110.41 1a5u h SER 3699Ca 0.00 0.08 -0.80 0.00 -0.47 0.00 0.00 61.79 60.61 1a5u h SER 3699Cb 0.38 0.15 -0.27 0.00 -0.31 0.00 0.00 62.40 62.34 1a5u h SER 3699CO 0.00 -0.04 0.32 -0.62 -0.87 0.00 0.00 176.83 175.62 1a5u s ASP 3700N -5.25 7.10 0.55 4.97 2.15 -1.25 -4.92 116.67 120.02 1a5u s ASP 3700Ca -0.13 -3.27 0.48 0.00 0.43 0.00 0.00 52.55 50.06 1a5u s ASP 3700Cb 0.13 -2.21 1.71 0.00 -0.30 0.00 0.00 42.92 42.26 1a5u s ASP 3700CO 0.71 -0.39 1.61 1.55 -0.17 0.00 0.00 175.17 178.47 1a5u h PRO 3701N 7.07 0.00 -0.00 4.34 0.13 -1.82 1.41 132.00 143.12 1a5u h PRO 3701Ca 0.15 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.14 1a5u h PRO 3701Cb 0.93 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 1a5u h PRO 3701CO 0.91 0.00 -0.67 0.82 -0.23 0.00 0.00 178.00 178.83 1a5u h ILE 3702N 0.00 1.48 -0.15 -3.56 1.08 -1.92 -3.23 117.51 111.21 1a5u h ILE 3702Ca 0.89 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1a5u h ILE 3702Cb 3.55 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 39.54 1a5u h ILE 3702CO -0.02 0.66 0.00 0.18 -0.69 0.00 0.00 178.15 178.28 1a5u n LEU 3703N -3.75 3.03 -4.70 1.44 4.32 0.47 -4.78 117.00 113.02 1a5u n LEU 3703Ca -0.01 -2.80 -0.40 0.00 -0.02 0.00 0.00 56.01 52.78 1a5u n LEU 3703Cb 0.66 -0.40 -0.04 0.00 -1.62 0.00 0.00 43.42 42.02 1a5u n LEU 3703CO 0.43 0.67 0.49 -0.47 -1.22 0.00 0.00 177.39 177.29 1a5u s TYR 3704N -2.40 3.55 -0.20 -1.77 5.04 -0.36 -4.93 117.35 116.28 1a5u s TYR 3704Ca 0.32 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 56.28 1a5u s TYR 3704Cb 0.25 -2.90 0.03 0.00 0.35 0.00 0.00 41.96 39.69 1a5u s TYR 3704CO 0.07 -0.01 -0.17 1.03 -1.34 0.00 0.00 175.55 175.13 1a5u s ARG 3705N 1.16 2.75 0.45 4.97 3.00 -1.26 -4.90 118.95 125.11 1a5u s ARG 3705Ca 0.40 -0.93 -0.23 0.00 0.00 0.00 0.00 55.73 54.97 1a5u s ARG 3705Cb -0.18 -2.61 -0.08 0.00 0.00 0.00 0.00 34.95 32.09 1a5u s ARG 3705CO 0.18 -0.30 1.15 -2.14 0.00 0.00 0.00 175.30 174.20 1a5u s PRO 3706N 1.27 3.81 -0.06 3.54 0.02 -1.26 -4.94 135.00 137.38 1a5u s PRO 3706Ca 0.02 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.78 1a5u s PRO 3706Cb -0.15 -2.42 0.02 0.00 0.02 0.00 0.00 34.50 31.97 1a5u s PRO 3706CO -0.11 -0.50 -0.05 0.08 -0.33 0.00 0.00 177.00 176.09 1a5u s VAL 3707N -1.56 0.61 0.36 3.83 1.01 -1.26 -4.90 120.40 118.49 1a5u s VAL 3707Ca 0.63 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.41 1a5u s VAL 3707Cb -0.28 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1a5u s VAL 3707CO 0.34 0.26 0.66 0.00 0.00 0.00 0.00 175.10 176.35 1a5u s ALA 3708N 1.11 3.50 -0.23 5.51 0.00 -0.54 -4.92 121.76 126.19 1a5u s ALA 3708Ca -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1a5u s ALA 3708Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1a5u s ALA 3708CO -0.01 0.06 -0.05 0.08 0.00 0.00 0.00 175.76 175.85 1a5u s VAL 3709N -2.28 3.25 -0.11 0.00 1.01 -1.26 -0.71 120.40 120.29 1a5u s VAL 3709Ca 0.47 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1a5u s VAL 3709Cb -0.10 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1a5u s VAL 3709CO 0.33 0.36 -0.19 0.00 0.00 0.00 0.00 175.10 175.60 1a5u s ALA 3710N 1.44 2.39 -0.42 5.51 0.00 0.71 -0.05 121.76 131.34 1a5u s ALA 3710Ca 0.04 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1a5u s ALA 3710Cb -0.15 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 21.99 1a5u s ALA 3710CO -0.04 0.27 0.31 -1.17 0.00 0.00 0.00 175.76 175.14 1a5u s LEU 3711N 0.34 5.17 -0.26 0.00 0.20 -0.83 0.05 118.68 123.34 1a5u s LEU 3711Ca -0.15 -0.98 -0.15 0.00 0.69 0.00 0.00 54.13 53.54 1a5u s LEU 3711Cb -0.17 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 1a5u s LEU 3711CO 0.07 -0.48 0.38 -0.62 -0.29 0.00 0.00 176.35 175.42 1a5u s ASP 3712N 1.82 6.29 0.40 3.68 -1.08 0.15 -1.71 116.67 126.22 1a5u s ASP 3712Ca 0.05 0.34 -0.25 0.00 -0.52 0.00 0.00 52.55 52.16 1a5u s ASP 3712Cb -0.20 -2.22 -0.08 0.00 -1.46 0.00 0.00 42.92 38.96 1a5u s ASP 3712CO 0.09 -0.17 1.15 -0.89 0.52 0.00 0.00 175.17 175.87 1a5u s THR 3713N 1.96 3.25 0.00 1.71 2.01 -0.94 0.13 115.64 123.78 1a5u s THR 3713Ca 0.16 1.04 -0.10 0.00 0.31 0.00 0.00 61.69 63.09 1a5u s THR 3713Cb -0.16 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 1a5u s THR 3713CO 0.09 0.08 0.83 0.50 -0.69 0.00 0.00 174.62 175.43 1a5u h LYS 3714N 2.61 -0.36 0.00 4.92 3.64 -1.91 -3.37 116.57 122.11 1a5u h LYS 3714Ca -0.49 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1a5u h LYS 3714Cb 1.23 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1a5u h LYS 3714CO 0.62 -0.24 -0.00 0.41 -2.27 0.00 0.00 179.45 177.98 1a5u n GLY 3715N -0.24 -1.91 3.04 5.01 0.00 -1.26 -4.26 105.19 105.57 1a5u n GLY 3715Ca -0.05 -1.36 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 1a5u n GLY 3715CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a5u n PRO 3716N -0.34 0.60 -3.58 1.61 -0.02 -1.26 -4.83 135.00 127.17 1a5u n PRO 3716Ca 0.00 -0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 60.26 1a5u n PRO 3716Cb 0.00 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1a5u n PRO 3716CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1a5u s GLU 3717N 5.09 3.53 -0.08 -0.52 2.02 -1.26 -5.04 118.70 122.45 1a5u s GLU 3717Ca 0.29 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 55.01 1a5u s GLU 3717Cb 0.07 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.54 1a5u s GLU 3717CO 0.08 0.32 -0.16 0.42 0.02 0.00 0.00 175.26 175.94 1a5u s ILE 3718N -2.00 1.42 0.08 -1.63 1.01 -1.26 -4.95 121.20 113.87 1a5u s ILE 3718Ca 0.40 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.42 1a5u s ILE 3718Cb -0.11 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1a5u s ILE 3718CO 0.31 0.42 -0.07 -0.13 0.00 0.00 0.00 174.94 175.46 1a5u s ARG 3719N 0.60 0.74 0.59 2.79 1.81 -1.26 -0.83 118.95 123.38 1a5u s ARG 3719Ca -0.15 -1.16 -0.09 0.00 -1.72 0.00 0.00 55.73 52.61 1a5u s ARG 3719Cb -0.16 -0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.08 1a5u s ARG 3719CO 0.05 0.00 0.96 0.99 -0.68 0.00 0.00 175.30 176.62 1a5u s THR 3720N -2.95 4.55 0.00 0.02 2.01 -0.57 -1.21 115.64 117.49 1a5u s THR 3720Ca 0.05 0.58 0.00 0.00 0.31 0.00 0.00 61.69 62.63 1a5u s THR 3720Cb 0.01 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1a5u s THR 3720CO -0.03 -0.96 0.00 0.61 -0.69 0.00 0.00 174.62 173.55 1a5u n GLY 3721N -2.63 0.52 3.46 4.40 0.00 0.28 -4.04 105.19 107.19 1a5u n GLY 3721Ca 0.04 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1a5u n GLY 3721CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 3722N 0.00 2.62 -0.32 0.99 1.43 0.38 -2.18 118.68 121.60 1a5u s LEU 3722Ca 0.00 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 1a5u s LEU 3722Cb 0.00 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1a5u s LEU 3722CO 0.00 0.23 0.63 -0.63 0.23 0.00 0.00 176.35 176.81 1a5u s ILE 3723N -0.99 4.93 -1.73 -0.59 -1.09 -1.24 0.42 121.20 120.91 1a5u s ILE 3723Ca 0.15 0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1a5u s ILE 3723Cb -0.10 -4.02 0.15 0.00 -1.58 0.00 0.00 42.46 36.91 1a5u s ILE 3723CO 0.07 -0.18 0.53 0.29 -1.23 0.00 0.00 174.94 174.41 1a5u n LYS 3724N 5.92 -1.66 0.00 2.79 4.01 -1.11 -1.08 118.16 127.03 1a5u n LYS 3724Ca -0.01 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 1a5u n LYS 3724Cb 0.49 -4.60 0.00 0.00 -0.51 0.00 0.00 35.03 30.41 1a5u n LYS 3724CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5u n GLY 3725N -1.52 0.46 3.61 0.72 0.00 0.13 -4.88 105.19 103.72 1a5u n GLY 3725Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.45 1a5u n GLY 3725CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a5u n SER 3726N 0.36 1.50 -1.18 1.61 7.64 -0.24 -4.86 113.62 118.44 1a5u n SER 3726Ca 0.00 1.12 0.11 0.00 1.01 0.00 0.00 58.87 61.11 1a5u n SER 3726Cb 0.00 -1.11 0.28 0.00 -1.01 0.00 0.00 64.21 62.37 1a5u n SER 3726CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5u n GLY 3727N 2.84 1.97 0.00 0.23 0.00 -1.26 -3.61 105.19 105.36 1a5u n GLY 3727Ca 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1a5u n GLY 3727CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 3728N 1.39 0.01 0.00 2.61 -2.24 -1.26 -4.93 114.28 109.85 1a5u n THR 3728Ca 0.21 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1a5u n THR 3728Cb 0.55 1.79 0.00 0.00 -2.10 0.00 0.00 70.33 70.57 1a5u n THR 3728CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u n ALA 3729N -0.00 0.00 0.00 6.98 0.00 -1.24 -5.05 120.51 121.20 1a5u n ALA 3729Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a5u n ALA 3729Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1a5u n ALA 3729CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a5u n GLU 3730N -0.07 0.00 -4.32 0.00 1.02 -1.26 -4.79 120.64 111.21 1a5u n GLU 3730Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1a5u n GLU 3730Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1a5u n GLU 3730CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a5u s VAL 3731N 0.00 1.71 -0.21 2.62 0.11 -0.44 -4.93 120.40 119.26 1a5u s VAL 3731Ca 0.00 -1.98 0.01 0.00 -2.93 0.00 0.00 61.98 57.08 1a5u s VAL 3731Cb 0.00 -1.86 0.05 0.00 -1.53 0.00 0.00 36.38 33.04 1a5u s VAL 3731CO 0.00 -0.42 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.55 1a5u s GLU 3732N -3.05 2.01 -0.11 1.54 2.12 -1.26 0.41 118.70 120.36 1a5u s GLU 3732Ca 0.17 -0.90 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 1a5u s GLU 3732Cb -0.04 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.85 1a5u s GLU 3732CO 0.06 -0.46 0.87 -0.51 -0.54 0.00 0.00 175.26 174.68 1a5u s LEU 3733N 1.37 4.25 -0.07 2.70 1.43 0.40 -4.87 118.68 123.89 1a5u s LEU 3733Ca -0.02 1.33 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 1a5u s LEU 3733Cb -0.17 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1a5u s LEU 3733CO -0.08 -0.34 0.24 -0.54 0.23 0.00 0.00 176.35 175.87 1a5u s LYS 3734N 1.70 3.61 0.21 1.70 1.02 -1.26 0.99 119.74 127.70 1a5u s LYS 3734Ca 0.42 0.05 -0.32 0.00 0.02 0.00 0.00 55.97 56.14 1a5u s LYS 3734Cb -0.18 -3.19 -0.14 0.00 -0.52 0.00 0.00 37.83 33.81 1a5u s LYS 3734CO 0.17 0.74 1.45 1.17 -0.92 0.00 0.00 175.35 177.95 1a5u n LYS 3735N 1.83 2.00 0.00 1.68 4.81 -1.26 -0.88 118.16 126.33 1a5u n LYS 3735Ca -0.17 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1a5u n LYS 3735Cb 0.54 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1a5u n LYS 3735CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 3736N 2.53 2.28 3.72 3.14 0.00 0.66 -4.96 105.19 112.56 1a5u n GLY 3736Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1a5u n GLY 3736CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 3737N -2.30 1.34 0.14 4.61 0.00 -0.06 -4.58 121.76 120.90 1a5u s ALA 3737Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.65 1a5u s ALA 3737Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1a5u s ALA 3737CO 0.00 -2.55 0.11 0.95 0.00 0.00 0.00 175.76 174.27 1a5u s THR 3738N -3.06 4.46 -0.17 0.00 -4.23 -1.26 0.12 115.64 111.50 1a5u s THR 3738Ca 0.64 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.04 1a5u s THR 3738Cb -0.17 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.49 1a5u s THR 3738CO 0.56 -0.03 0.43 -0.22 -0.54 0.00 0.00 174.62 174.82 1a5u s LEU 3739N -2.87 0.01 -0.37 4.79 2.96 -0.80 -4.83 118.68 117.56 1a5u s LEU 3739Ca 0.30 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 1a5u s LEU 3739Cb -0.11 1.45 0.00 0.00 0.50 0.00 0.00 46.19 48.03 1a5u s LEU 3739CO 0.23 -0.18 0.36 -0.75 -1.32 0.00 0.00 176.35 174.69 1a5u s LYS 3740N 1.02 3.34 0.07 1.98 2.20 -0.54 -2.08 119.74 125.73 1a5u s LYS 3740Ca -0.06 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.65 1a5u s LYS 3740Cb -0.06 -3.88 -0.06 0.00 -1.51 0.00 0.00 37.83 32.32 1a5u s LYS 3740CO -0.09 -0.64 0.86 0.42 -0.36 0.00 0.00 175.35 175.54 1a5u s ILE 3741N 1.98 4.63 0.05 5.43 1.01 0.68 0.19 121.20 135.18 1a5u s ILE 3741Ca 0.10 1.83 0.02 0.00 0.00 0.00 0.00 60.65 62.60 1a5u s ILE 3741Cb -0.17 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 1a5u s ILE 3741CO 0.12 0.34 -0.07 -0.89 0.00 0.00 0.00 174.94 174.44 1a5u s THR 3742N -0.01 0.49 -0.18 2.92 2.01 1.29 -1.33 115.64 120.84 1a5u s THR 3742Ca 0.42 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1a5u s THR 3742Cb -0.22 -0.86 -0.22 0.00 0.01 0.00 0.00 72.50 71.21 1a5u s THR 3742CO 0.26 -0.55 0.12 0.18 -0.69 0.00 0.00 174.62 173.95 1a5u n LEU 3743N 1.06 2.35 -4.58 4.42 7.99 -0.89 -0.74 117.00 126.61 1a5u n LEU 3743Ca -0.20 0.07 -0.57 0.00 -0.01 0.00 0.00 56.01 55.30 1a5u n LEU 3743Cb 0.56 -0.75 -0.08 0.00 -0.11 0.00 0.00 43.42 43.04 1a5u n LEU 3743CO 0.23 0.81 1.51 -0.67 -1.51 0.00 0.00 177.39 177.76 1a5u n ASP 3744N -3.28 2.03 0.05 -1.43 -0.08 -1.26 -4.82 116.55 107.76 1a5u n ASP 3744Ca -0.36 0.84 0.07 0.00 -1.51 0.00 0.00 54.79 53.83 1a5u n ASP 3744Cb 1.04 -1.13 0.32 0.00 2.34 0.00 0.00 41.12 43.69 1a5u n ASP 3744CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1a5u n ASN 3745N 6.87 0.22 0.16 1.67 4.13 -1.26 -2.60 115.26 124.44 1a5u n ASN 3745Ca 0.35 0.57 0.18 0.00 1.68 0.00 0.00 54.58 57.36 1a5u n ASN 3745Cb 0.12 -0.61 0.79 0.00 -1.54 0.00 0.00 39.78 38.54 1a5u n ASN 3745CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5u h ALA 3746N 2.29 1.95 -0.49 5.41 0.00 -2.01 -1.39 119.26 125.03 1a5u h ALA 3746Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 3746Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a5u h ALA 3746CO 0.00 -0.43 0.00 0.66 0.00 0.00 0.00 179.25 179.48 1a5u n TYR 3747N -3.82 0.65 -0.17 0.00 4.02 -1.07 -4.70 117.16 112.07 1a5u n TYR 3747Ca 0.04 -0.49 0.20 0.00 -0.01 0.00 0.00 57.90 57.63 1a5u n TYR 3747Cb 0.44 -0.02 0.57 0.00 -0.02 0.00 0.00 39.34 40.31 1a5u n TYR 3747CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a5u h MET 3748N 2.87 0.27 -0.00 -0.72 4.05 -1.41 -1.00 114.93 118.99 1a5u h MET 3748Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1a5u h MET 3748Cb 0.83 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1a5u h MET 3748CO 0.00 0.18 -0.01 0.39 0.23 0.00 0.00 176.91 177.70 1a5u n GLU 3749N -4.44 0.09 -0.96 0.39 -0.58 -1.26 -0.47 120.64 113.41 1a5u n GLU 3749Ca 0.16 -0.68 0.02 0.00 -0.42 0.00 0.00 57.16 56.24 1a5u n GLU 3749Cb 0.67 -1.04 0.37 0.00 -0.57 0.00 0.00 31.44 30.87 1a5u n GLU 3749CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1a5u n LYS 3750N 0.12 4.48 -1.74 3.49 4.81 -0.39 0.21 118.16 129.14 1a5u n LYS 3750Ca 0.02 -3.14 -0.42 0.00 -0.87 0.00 0.00 58.31 53.91 1a5u n LYS 3750Cb 0.10 -2.26 -0.02 0.00 0.02 0.00 0.00 35.03 32.87 1a5u n LYS 3750CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a5u n ASP 3752N 2.66 -0.36 0.00 0.00 5.75 -0.58 -2.74 116.55 121.28 1a5u n ASP 3752Ca 0.11 -1.59 0.07 0.00 -0.01 0.00 0.00 54.79 53.36 1a5u n ASP 3752Cb 0.36 0.70 0.35 0.00 -1.03 0.00 0.00 41.12 41.50 1a5u n ASP 3752CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1a5u n GLU 3753N -0.18 0.20 -0.04 0.11 0.28 -1.26 -3.14 120.64 116.61 1a5u n GLU 3753Ca 0.01 0.15 -0.04 0.00 -0.16 0.00 0.00 57.16 57.12 1a5u n GLU 3753Cb 0.18 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.48 1a5u n GLU 3753CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a5u n ASN 3754N -1.28 2.96 -3.88 -1.84 4.13 -1.26 -4.82 115.26 109.26 1a5u n ASN 3754Ca 0.07 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.13 1a5u n ASN 3754Cb 0.11 0.73 -0.16 0.00 -1.54 0.00 0.00 39.78 38.91 1a5u n ASN 3754CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1a5u s ILE 3755N -2.22 0.50 -0.31 2.41 -0.00 -1.19 -1.47 121.20 118.93 1a5u s ILE 3755Ca -0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.65 60.50 1a5u s ILE 3755Cb 0.03 -0.54 0.05 0.00 -0.00 0.00 0.00 42.46 42.00 1a5u s ILE 3755CO 0.34 0.22 0.02 -0.22 -0.00 0.00 0.00 174.94 175.30 1a5u s LEU 3756N 1.00 4.00 -0.19 0.37 2.96 0.52 -1.52 118.68 125.80 1a5u s LEU 3756Ca -0.10 -1.31 -0.26 0.00 -0.22 0.00 0.00 54.13 52.24 1a5u s LEU 3756Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1a5u s LEU 3756CO -0.00 -0.28 0.87 0.86 -1.32 0.00 0.00 176.35 176.48 1a5u s TRP 3757N 1.25 3.39 0.28 5.38 -0.00 -1.26 0.39 118.94 128.38 1a5u s TRP 3757Ca -0.04 1.28 0.07 0.00 -0.00 0.00 0.00 56.10 57.40 1a5u s TRP 3757Cb -0.20 -3.07 -0.03 0.00 -0.00 0.00 0.00 33.47 30.17 1a5u s TRP 3757CO -0.01 -0.32 0.27 -0.51 -0.00 0.00 0.00 176.95 176.38 1a5u s LEU 3758N 2.47 3.83 0.06 5.86 1.43 0.08 -0.55 118.68 131.86 1a5u s LEU 3758Ca 0.39 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 1a5u s LEU 3758Cb -0.16 -2.41 -0.23 0.00 0.03 0.00 0.00 46.19 43.42 1a5u s LEU 3758CO 0.10 -0.17 1.06 -0.78 0.23 0.00 0.00 176.35 176.79 1a5u h ASP 3759N 1.32 0.08 -2.91 2.29 3.58 -1.48 -3.44 116.42 115.87 1a5u h ASP 3759Ca -0.48 -0.10 -0.74 0.00 0.42 0.00 0.00 57.03 56.13 1a5u h ASP 3759Cb 1.24 -0.03 -0.21 0.00 1.72 0.00 0.00 39.33 42.05 1a5u h ASP 3759CO 0.59 1.09 0.70 -0.47 -2.88 0.00 0.00 179.24 178.27 1a5u s TYR 3760N -2.67 3.57 -0.97 0.28 5.04 -1.26 -4.94 117.35 116.40 1a5u s TYR 3760Ca -0.02 -1.94 0.00 0.00 -2.44 0.00 0.00 57.07 52.67 1a5u s TYR 3760Cb 0.09 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.30 1a5u s TYR 3760CO 0.83 -1.25 0.65 1.63 -1.34 0.00 0.00 175.55 176.07 1a5u n LYS 3761N 5.04 0.00 -0.04 4.97 5.02 -1.26 -0.99 118.16 130.90 1a5u n LYS 3761Ca 0.24 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.80 1a5u n LYS 3761Cb 0.45 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 33.95 1a5u n LYS 3761CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a5u n ASN 3762N -1.15 2.15 -0.18 4.39 3.02 -1.26 -4.78 115.26 117.45 1a5u n ASN 3762Ca 0.00 -2.57 -0.01 0.00 -0.03 0.00 0.00 54.58 51.97 1a5u n ASN 3762Cb 0.09 -0.23 0.09 0.00 -0.61 0.00 0.00 39.78 39.12 1a5u n ASN 3762CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a5u h ILE 3763N 0.08 0.78 -1.08 2.41 2.10 -1.50 -1.91 117.51 118.39 1a5u h ILE 3763Ca 0.00 -0.12 0.29 0.00 1.08 0.00 0.00 64.86 66.11 1a5u h ILE 3763Cb 0.78 0.39 -0.09 0.00 -1.09 0.00 0.00 36.82 36.81 1a5u h ILE 3763CO 0.00 0.07 0.72 0.00 -1.08 0.00 0.00 178.15 177.85 1a5u h LYS 3765N 0.28 0.00 0.11 0.00 2.10 -1.73 -3.30 116.57 114.04 1a5u h LYS 3765Ca 0.60 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.94 1a5u h LYS 3765Cb 1.73 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.05 1a5u h LYS 3765CO -0.24 0.00 -1.55 0.28 -2.00 0.00 0.00 179.45 175.95 1a5u h VAL 3766N 0.00 1.13 -2.89 0.07 2.07 -0.12 -3.47 116.25 113.05 1a5u h VAL 3766Ca 0.00 -2.78 -0.63 0.00 0.82 0.00 0.00 66.70 64.11 1a5u h VAL 3766Cb 0.86 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 33.32 1a5u h VAL 3766CO 0.00 0.81 -0.46 0.68 0.02 0.00 0.00 177.57 178.62 1a5u s VAL 3767N -2.62 5.37 0.23 2.57 -7.23 -0.70 -4.58 120.40 113.46 1a5u s VAL 3767Ca -0.09 -0.14 0.09 0.00 -1.81 0.00 0.00 61.98 60.03 1a5u s VAL 3767Cb 0.07 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 1a5u s VAL 3767CO 0.85 0.25 -0.04 -1.81 -0.31 0.00 0.00 175.10 174.04 1a5u s ASP 3768N -2.10 4.42 0.32 4.85 1.01 -1.26 -4.87 116.67 119.05 1a5u s ASP 3768Ca 0.31 -0.62 -0.29 0.00 0.71 0.00 0.00 52.55 52.66 1a5u s ASP 3768Cb -0.13 -0.79 -0.10 0.00 1.01 0.00 0.00 42.92 42.91 1a5u s ASP 3768CO 0.21 0.04 1.39 -0.69 0.21 0.00 0.00 175.17 176.33 1a5u s VAL 3769N -2.08 2.53 0.00 -1.27 1.01 -1.26 -1.76 120.40 117.56 1a5u s VAL 3769Ca 0.29 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1a5u s VAL 3769Cb -0.07 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1a5u s VAL 3769CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1a5u n GLY 3770N 1.08 3.44 3.72 4.51 0.00 0.24 -4.97 105.19 113.21 1a5u n GLY 3770Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1a5u n GLY 3770CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 3771N -1.01 3.99 -0.02 1.61 0.01 -0.72 -4.50 113.70 113.05 1a5u s SER 3771Ca 0.00 2.14 -0.03 0.00 1.31 0.00 0.00 55.95 59.37 1a5u s SER 3771Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1a5u s SER 3771CO 0.00 -2.39 0.16 -0.54 0.41 0.00 0.00 173.24 170.88 1a5u s LYS 3772N -4.38 3.39 -0.06 12.44 3.01 -1.26 -0.08 119.74 132.80 1a5u s LYS 3772Ca 0.68 -0.32 0.04 0.00 -1.01 0.00 0.00 55.97 55.36 1a5u s LYS 3772Cb -0.23 -3.08 0.00 0.00 -1.01 0.00 0.00 37.83 33.51 1a5u s LYS 3772CO 0.51 0.68 -0.19 0.08 0.51 0.00 0.00 175.35 176.94 1a5u s VAL 3773N -1.27 1.61 -0.06 3.17 1.01 0.43 -4.75 120.40 120.54 1a5u s VAL 3773Ca 0.25 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1a5u s VAL 3773Cb -0.12 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1a5u s VAL 3773CO 0.16 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 175.21 1a5u s TYR 3774N 0.22 2.55 0.11 5.22 2.02 -0.90 0.16 117.35 126.74 1a5u s TYR 3774Ca -0.10 -0.49 0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1a5u s TYR 3774Cb -0.14 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1a5u s TYR 3774CO 0.04 -0.06 -0.20 0.08 -1.57 0.00 0.00 175.55 173.84 1a5u s VAL 3775N -0.34 1.68 -0.95 0.71 1.01 0.78 0.61 120.40 123.90 1a5u s VAL 3775Ca 0.02 -1.61 -0.06 0.00 0.00 0.00 0.00 61.98 60.34 1a5u s VAL 3775Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1a5u s VAL 3775CO 0.02 -0.14 0.83 -0.67 0.00 0.00 0.00 175.10 175.14 1a5u n ASP 3776N 0.92 -6.83 -3.56 3.32 -0.08 -0.21 -0.54 116.55 109.56 1a5u n ASP 3776Ca -0.18 -0.55 -0.26 0.00 -1.51 0.00 0.00 54.79 52.29 1a5u n ASP 3776Cb 0.54 -4.94 -0.01 0.00 2.34 0.00 0.00 41.12 39.05 1a5u n ASP 3776CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a5u n ASP 3777N -2.68 -3.50 0.00 1.67 9.92 -1.26 0.10 116.55 120.81 1a5u n ASP 3777Ca -0.06 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.68 1a5u n ASP 3777Cb 0.58 -2.90 0.00 0.00 -0.64 0.00 0.00 41.12 38.16 1a5u n ASP 3777CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a5u n GLY 3778N -1.20 0.56 0.11 0.44 0.00 -1.07 -4.61 105.19 99.43 1a5u n GLY 3778Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1a5u n GLY 3778CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 3779N 0.00 0.26 -8.80 0.99 5.85 0.33 -3.43 115.31 110.51 1a5u h LEU 3779Ca 0.00 -0.23 -0.66 0.00 0.84 0.00 0.00 57.88 57.83 1a5u h LEU 3779Cb 0.00 -0.07 -0.24 0.00 0.37 0.00 0.00 40.66 40.72 1a5u h LEU 3779CO 0.00 0.42 -0.74 -0.63 -0.34 0.00 0.00 178.44 177.15 1a5u s ILE 3780N -5.31 3.32 -0.11 4.05 1.01 -0.28 -4.84 121.20 119.04 1a5u s ILE 3780Ca -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1a5u s ILE 3780Cb 0.07 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1a5u s ILE 3780CO 0.71 0.54 -0.18 -0.94 0.00 0.00 0.00 174.94 175.08 1a5u s SER 3781N -0.06 3.64 -0.07 3.58 1.04 -1.07 -0.16 113.70 120.61 1a5u s SER 3781Ca -0.01 -0.41 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1a5u s SER 3781Cb -0.14 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.56 1a5u s SER 3781CO 0.03 0.19 -0.23 -0.76 0.98 0.00 0.00 173.24 173.45 1a5u s LEU 3782N 0.21 2.03 -0.14 2.42 1.02 0.42 -0.00 118.68 124.63 1a5u s LEU 3782Ca -0.11 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.49 1a5u s LEU 3782Cb -0.16 -1.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 1a5u s LEU 3782CO 0.06 0.20 0.10 -1.58 0.02 0.00 0.00 176.35 175.15 1a5u s GLN 3783N 0.04 3.61 -0.26 1.70 0.74 -0.02 0.16 119.66 125.64 1a5u s GLN 3783Ca -0.08 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 1a5u s GLN 3783Cb -0.15 -3.18 -0.00 0.00 1.10 0.00 0.00 33.01 30.78 1a5u s GLN 3783CO 0.05 0.59 1.30 0.08 -0.55 0.00 0.00 175.29 176.76 1a5u s VAL 3784N -0.50 4.16 -0.10 1.34 1.01 0.89 -0.53 120.40 126.67 1a5u s VAL 3784Ca 0.11 1.34 0.15 0.00 0.00 0.00 0.00 61.98 63.58 1a5u s VAL 3784Cb -0.12 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.96 1a5u s VAL 3784CO 0.02 -0.37 0.16 0.29 0.00 0.00 0.00 175.10 175.20 1a5u n LYS 3785N 7.13 1.15 -3.61 2.72 4.76 0.23 0.80 118.16 131.35 1a5u n LYS 3785Ca 0.15 -0.06 -0.02 0.00 -2.87 0.00 0.00 58.31 55.50 1a5u n LYS 3785Cb 0.46 -1.39 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 1a5u n LYS 3785CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a5u s GLN 3786N -2.65 0.41 0.24 1.97 0.74 0.31 -4.88 119.66 115.81 1a5u s GLN 3786Ca -0.07 0.77 -0.02 0.00 0.05 0.00 0.00 55.36 56.10 1a5u s GLN 3786Cb 0.07 0.17 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 1a5u s GLN 3786CO 0.64 -0.10 0.45 0.15 -0.55 0.00 0.00 175.29 175.88 1a5u s LYS 3787N 1.62 3.55 0.00 1.67 1.02 -1.26 0.43 119.74 126.76 1a5u s LYS 3787Ca -0.08 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1a5u s LYS 3787Cb -0.04 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1a5u s LYS 3787CO -0.16 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1a5u n GLY 3788N -0.84 1.45 0.00 -3.33 0.00 1.41 -4.86 105.19 99.02 1a5u n GLY 3788Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1a5u n GLY 3788CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5u n PRO 3789N 0.00 4.48 0.00 1.61 -0.04 -1.26 -4.68 135.00 135.11 1a5u n PRO 3789Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a5u n PRO 3789Cb 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1a5u n PRO 3789CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a5u n ASP 3790N -0.23 0.93 -3.65 3.54 2.03 -1.26 -5.04 116.55 112.87 1a5u n ASP 3790Ca 0.00 -1.31 -0.00 0.00 0.52 0.00 0.00 54.79 54.00 1a5u n ASP 3790Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a5u n ASP 3790CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a5u s PHE 3791N -0.31 -0.05 -0.02 -0.67 -0.71 -1.26 -2.10 117.98 112.86 1a5u s PHE 3791Ca 0.00 -0.15 0.06 0.00 -1.04 0.00 0.00 56.93 55.80 1a5u s PHE 3791Cb 0.00 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1a5u s PHE 3791CO 0.00 -0.53 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.66 1a5u s LEU 3792N -3.07 2.02 -0.42 -1.99 1.02 -0.44 0.42 118.68 116.21 1a5u s LEU 3792Ca 0.15 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.90 1a5u s LEU 3792Cb 0.02 -0.98 0.10 0.00 0.02 0.00 0.00 46.19 45.35 1a5u s LEU 3792CO -0.01 0.22 0.24 -0.69 0.02 0.00 0.00 176.35 176.13 1a5u s VAL 3793N -0.35 3.73 0.47 -1.59 1.01 1.45 -0.23 120.40 124.90 1a5u s VAL 3793Ca 0.05 -1.77 0.07 0.00 0.00 0.00 0.00 61.98 60.33 1a5u s VAL 3793Cb -0.08 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1a5u s VAL 3793CO -0.00 -0.62 0.34 0.42 0.00 0.00 0.00 175.10 175.24 1a5u s THR 3794N 1.28 2.11 -0.01 3.92 -4.23 -0.88 0.11 115.64 117.94 1a5u s THR 3794Ca 0.05 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 1a5u s THR 3794Cb -0.23 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1a5u s THR 3794CO -0.01 0.00 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.21 1a5u s GLU 3795N -4.15 1.26 0.12 3.99 2.12 0.31 -1.91 118.70 120.44 1a5u s GLU 3795Ca 0.40 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.87 1a5u s GLU 3795Cb -0.01 -1.21 -0.08 0.00 0.26 0.00 0.00 34.13 33.09 1a5u s GLU 3795CO 0.23 0.32 1.32 0.08 -0.54 0.00 0.00 175.26 176.68 1a5u s VAL 3796N -0.34 3.47 0.00 3.70 1.01 0.33 -0.84 120.40 127.73 1a5u s VAL 3796Ca 0.05 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1a5u s VAL 3796Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1a5u s VAL 3796CO -0.00 0.10 0.00 1.21 0.00 0.00 0.00 175.10 176.41 1a5u n GLU 3797N 3.63 0.00 -3.07 2.72 2.13 0.99 -0.25 120.64 126.80 1a5u n GLU 3797Ca 0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.48 1a5u n GLU 3797Cb 0.43 -0.16 -0.06 0.00 0.27 0.00 0.00 31.44 31.93 1a5u n GLU 3797CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1a5u s ASN 3798N -1.96 6.31 0.72 4.31 0.02 -1.11 -4.35 114.94 118.88 1a5u s ASN 3798Ca 0.00 -0.44 -0.11 0.00 -1.02 0.00 0.00 52.86 51.30 1a5u s ASN 3798Cb 0.00 -2.34 0.02 0.00 0.02 0.00 0.00 41.25 38.95 1a5u s ASN 3798CO 0.00 -0.88 1.07 -0.83 0.02 0.00 0.00 177.10 176.48 1a5u s GLY 3799N 2.27 1.66 0.00 0.66 0.00 -1.26 -2.58 107.32 108.07 1a5u s GLY 3799Ca 0.23 0.08 -0.26 0.00 0.00 0.00 0.00 44.72 44.77 1a5u s GLY 3799CO 0.18 0.40 1.17 0.61 0.00 0.00 0.00 173.10 175.47 1a5u n GLY 3800N -1.90 0.28 3.49 0.20 0.00 0.28 -4.88 105.19 102.65 1a5u n GLY 3800Ca 0.08 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1a5u n GLY 3800CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 3801N -2.12 2.68 -0.18 1.61 0.08 -1.25 0.15 117.98 118.95 1a5u s PHE 3801Ca 0.27 -0.30 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 1a5u s PHE 3801Cb -0.01 -4.24 -0.04 0.00 -0.57 0.00 0.00 43.02 38.16 1a5u s PHE 3801CO 0.00 -1.58 1.67 -1.17 -0.10 0.00 0.00 175.22 174.04 1a5u s LEU 3802N 4.20 3.97 0.42 -0.37 2.96 1.35 -4.80 118.68 126.41 1a5u s LEU 3802Ca 0.26 1.79 0.06 0.00 -0.22 0.00 0.00 54.13 56.03 1a5u s LEU 3802Cb -0.14 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1a5u s LEU 3802CO 0.14 -1.23 0.59 -0.83 -1.32 0.00 0.00 176.35 173.70 1a5u s GLY 3803N 4.33 1.82 -0.10 7.98 0.00 -1.26 -1.33 107.32 118.76 1a5u s GLY 3803Ca 0.74 -1.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.67 1a5u s GLY 3803CO 0.30 -1.35 0.89 -0.56 0.00 0.00 0.00 173.10 172.38 1a5u s SER 3804N -4.31 7.12 -0.76 1.64 0.01 -1.26 -4.13 113.70 112.01 1a5u s SER 3804Ca 0.53 1.37 -0.03 0.00 1.31 0.00 0.00 55.95 59.13 1a5u s SER 3804Cb -0.10 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1a5u s SER 3804CO 0.34 -0.33 0.66 1.17 0.41 0.00 0.00 173.24 175.48 1a5u n LYS 3805N 4.64 -4.40 -1.86 12.44 4.81 -0.93 -5.03 118.16 127.83 1a5u n LYS 3805Ca 0.05 0.49 -0.31 0.00 -0.87 0.00 0.00 58.31 57.67 1a5u n LYS 3805Cb 0.50 -4.49 0.01 0.00 0.02 0.00 0.00 35.03 31.07 1a5u n LYS 3805CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1a5u s LYS 3806N -5.41 3.54 0.23 1.64 -0.14 -1.26 -4.55 119.74 113.80 1a5u s LYS 3806Ca 0.22 0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 55.31 1a5u s LYS 3806Cb -0.10 -2.07 -0.09 0.00 -1.68 0.00 0.00 37.83 33.89 1a5u s LYS 3806CO 0.43 -0.62 1.03 0.20 -0.76 0.00 0.00 175.35 175.63 1a5u s GLY 3807N -4.09 3.04 -0.07 -3.33 0.00 -1.26 -1.51 107.32 100.10 1a5u s GLY 3807Ca 0.56 0.75 0.01 0.00 0.00 0.00 0.00 44.72 46.04 1a5u s GLY 3807CO 0.53 1.41 -0.08 0.14 0.00 0.00 0.00 173.10 175.10 1a5u s VAL 3808N -0.92 3.65 -0.07 1.40 1.01 -0.01 -1.05 120.40 124.42 1a5u s VAL 3808Ca 0.44 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1a5u s VAL 3808Cb -0.29 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1a5u s VAL 3808CO 0.36 0.60 -0.16 0.20 0.00 0.00 0.00 175.10 176.09 1a5u s ASN 3809N -0.79 2.20 -0.64 3.32 0.01 0.20 -4.47 114.94 114.78 1a5u s ASN 3809Ca 0.12 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 51.95 1a5u s ASN 3809Cb -0.11 -0.90 0.23 0.00 0.41 0.00 0.00 41.25 40.88 1a5u s ASN 3809CO 0.01 0.10 0.68 0.18 -1.51 0.00 0.00 177.10 176.56 1a5u n LEU 3810N 3.55 3.37 -4.65 0.60 4.32 -1.26 -2.11 117.00 120.82 1a5u n LEU 3810Ca -0.21 -5.34 -0.42 0.00 -0.02 0.00 0.00 56.01 50.02 1a5u n LEU 3810Cb 0.52 -0.60 -0.03 0.00 -1.62 0.00 0.00 43.42 41.69 1a5u n LEU 3810CO 0.26 1.99 1.50 -2.16 -1.22 0.00 0.00 177.39 177.76 1a5u s PRO 3811N -2.17 3.96 0.00 3.23 0.04 -1.26 -1.69 135.00 137.10 1a5u s PRO 3811Ca 0.36 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1a5u s PRO 3811Cb 0.11 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1a5u s PRO 3811CO -0.05 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1a5u n GLY 3812N 4.57 0.85 3.65 0.56 0.00 -1.26 -4.98 105.19 108.58 1a5u n GLY 3812Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1a5u n GLY 3812CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 3813N -2.07 3.18 -1.01 4.61 0.00 -0.68 -5.07 121.76 120.72 1a5u s ALA 3813Ca 0.00 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 1a5u s ALA 3813Cb 0.00 -0.90 0.21 0.00 0.00 0.00 0.00 23.12 22.43 1a5u s ALA 3813CO 0.00 0.38 1.07 0.00 0.00 0.00 0.00 175.76 177.22 1a5u s ALA 3814N -1.98 4.10 -0.91 0.00 0.00 -1.26 -5.00 121.76 116.71 1a5u s ALA 3814Ca 0.29 -3.36 -0.24 0.00 0.00 0.00 0.00 51.96 48.64 1a5u s ALA 3814Cb -0.08 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.31 1a5u s ALA 3814CO 0.19 -2.50 1.47 0.08 0.00 0.00 0.00 175.76 175.00 1a5u s VAL 3815N 0.57 3.79 -0.91 0.00 1.01 -1.26 -4.88 120.40 118.72 1a5u s VAL 3815Ca 0.30 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1a5u s VAL 3815Cb -0.07 -4.87 -0.11 0.00 0.00 0.00 0.00 36.38 31.32 1a5u s VAL 3815CO -0.07 -1.78 2.17 -0.62 0.00 0.00 0.00 175.10 174.80 1a5u s ASP 3816N 5.07 4.35 0.00 3.32 -1.08 -1.26 -4.82 116.67 122.26 1a5u s ASP 3816Ca 0.46 -0.50 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 1a5u s ASP 3816Cb -0.03 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.85 1a5u s ASP 3816CO -0.01 -3.55 -0.07 -0.76 0.52 0.00 0.00 175.17 171.31 1a5u s LEU 3817N 13.17 2.04 0.34 -1.34 1.43 -1.26 -5.09 118.68 127.97 1a5u s LEU 3817Ca 0.81 -0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 53.47 1a5u s LEU 3817Cb -0.09 -0.32 -0.09 0.00 0.03 0.00 0.00 46.19 45.73 1a5u s LEU 3817CO 0.07 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.64 1a5u s PRO 3818N -0.34 4.39 0.13 1.29 0.04 -1.26 -4.96 135.00 134.29 1a5u s PRO 3818Ca 0.01 1.75 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1a5u s PRO 3818Cb -0.03 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1a5u s PRO 3818CO -0.00 0.00 1.78 0.00 0.04 0.00 0.00 177.00 178.82 1a5u h ALA 3819N 3.23 0.31 -3.26 8.56 0.00 -1.99 -3.36 119.26 122.75 1a5u h ALA 3819Ca -0.48 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 1a5u h ALA 3819Cb 1.22 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.56 1a5u h ALA 3819CO 0.65 -0.23 -0.83 0.08 0.00 0.00 0.00 179.25 178.92 1a5u s VAL 3820N -6.17 1.86 0.18 0.00 1.01 -1.26 -4.59 120.40 111.43 1a5u s VAL 3820Ca -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1a5u s VAL 3820Cb 0.09 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1a5u s VAL 3820CO 0.70 0.36 0.39 -0.94 0.00 0.00 0.00 175.10 175.61 1a5u s SER 3821N 1.34 6.43 0.31 3.32 1.04 -1.26 -4.94 113.70 119.93 1a5u s SER 3821Ca 0.02 0.49 0.07 0.00 0.48 0.00 0.00 55.95 57.01 1a5u s SER 3821Cb -0.15 -2.05 0.79 0.00 0.10 0.00 0.00 66.02 64.72 1a5u s SER 3821CO -0.10 -0.00 1.77 -0.08 0.98 0.00 0.00 173.24 175.80 1a5u h GLU 3822N 2.36 0.69 -0.24 4.02 4.57 -1.98 0.91 114.58 124.91 1a5u h GLU 3822Ca -0.47 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1a5u h GLU 3822Cb 1.18 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1a5u h GLU 3822CO 0.70 0.46 0.06 -0.22 -1.18 0.00 0.00 179.01 178.83 1a5u h LYS 3823N 0.71 0.38 -0.36 1.92 3.11 -2.00 -1.10 116.57 119.24 1a5u h LYS 3823Ca 0.59 -0.09 0.08 0.00 -2.81 0.00 0.00 60.65 58.42 1a5u h LYS 3823Cb 0.99 -0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 32.08 1a5u h LYS 3823CO -0.39 0.48 -0.23 -0.44 -2.81 0.00 0.00 179.45 176.06 1a5u h ASP 3824N 0.21 -0.78 -0.51 4.20 3.32 0.16 0.45 116.42 123.48 1a5u h ASP 3824Ca 0.08 0.16 0.10 0.00 0.02 0.00 0.00 57.03 57.38 1a5u h ASP 3824Cb 0.27 0.39 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 1a5u h ASP 3824CO 0.00 -0.26 0.02 0.40 -1.72 0.00 0.00 179.24 177.68 1a5u h ILE 3825N -0.18 0.62 -0.15 0.35 2.04 0.17 0.92 117.51 121.28 1a5u h ILE 3825Ca 0.18 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1a5u h ILE 3825Cb 0.46 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1a5u h ILE 3825CO -0.47 0.03 -0.06 1.56 0.00 0.00 0.00 178.15 179.21 1a5u h GLN 3826N 0.14 -0.03 -0.66 2.37 1.08 0.35 0.19 115.11 118.54 1a5u h GLN 3826Ca 0.26 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1a5u h GLN 3826Cb 0.39 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 1a5u h GLN 3826CO -0.41 -0.02 0.35 -0.44 -0.95 0.00 0.00 178.83 177.36 1a5u h ASP 3827N -0.04 0.84 -0.31 1.46 3.32 -0.42 0.77 116.42 122.05 1a5u h ASP 3827Ca 0.08 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1a5u h ASP 3827Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1a5u h ASP 3827CO -0.17 0.71 0.04 -0.07 -1.72 0.00 0.00 179.24 178.02 1a5u h LEU 3828N 0.91 0.57 -0.50 1.55 3.38 0.14 -0.25 115.31 121.12 1a5u h LEU 3828Ca 0.23 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1a5u h LEU 3828Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1a5u h LEU 3828CO -0.03 0.62 -0.65 0.11 0.09 0.00 0.00 178.44 178.58 1a5u h LYS 3829N 0.59 0.40 -0.85 1.13 1.79 0.43 -2.62 116.57 117.45 1a5u h LYS 3829Ca 0.13 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 1a5u h LYS 3829Cb 0.32 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1a5u h LYS 3829CO 0.01 0.91 0.42 0.35 -1.08 0.00 0.00 179.45 180.06 1a5u h PHE 3830N 0.29 1.21 -0.08 -1.35 3.57 -0.43 -1.77 116.94 118.38 1a5u h PHE 3830Ca -0.01 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1a5u h PHE 3830Cb 1.20 -0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1a5u h PHE 3830CO 0.04 0.86 -0.38 0.78 -2.23 0.00 0.00 178.31 177.39 1a5u h GLY 3831N 1.20 -0.62 0.24 2.40 0.00 -0.80 1.90 103.07 107.40 1a5u h GLY 3831Ca 0.29 0.46 0.06 0.00 0.00 0.00 0.00 47.33 48.14 1a5u h GLY 3831CO -0.04 -0.23 -0.19 -2.08 0.00 0.00 0.00 176.54 174.00 1a5u h VAL 3832N -0.48 0.49 -0.61 4.60 2.07 -1.20 0.15 116.25 121.26 1a5u h VAL 3832Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1a5u h VAL 3832Cb 0.60 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1a5u h VAL 3832CO -0.34 0.00 0.22 -0.33 0.02 0.00 0.00 177.57 177.14 1a5u h GLU 3833N -0.18 0.90 0.00 1.57 5.08 -0.45 -0.73 114.58 120.77 1a5u h GLU 3833Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a5u h GLU 3833Cb 0.39 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1a5u h GLU 3833CO -0.35 0.76 0.00 1.04 -1.00 0.00 0.00 179.01 179.45 1a5u n GLN 3834N -4.30 0.97 -3.65 2.33 1.13 0.64 -4.90 117.38 109.59 1a5u n GLN 3834Ca 0.05 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.85 1a5u n GLN 3834Cb 0.19 -1.38 0.04 0.00 0.11 0.00 0.00 30.24 29.19 1a5u n GLN 3834CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 3835N -0.88 -4.22 -4.43 1.08 -0.08 0.38 -4.98 116.55 103.42 1a5u n ASP 3835Ca 0.18 -0.93 -0.29 0.00 -1.51 0.00 0.00 54.79 52.23 1a5u n ASP 3835Cb 0.08 -3.75 0.17 0.00 2.34 0.00 0.00 41.12 39.96 1a5u n ASP 3835CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1a5u s VAL 3836N -3.54 1.91 -0.09 5.18 -7.23 -0.86 -4.98 120.40 110.80 1a5u s VAL 3836Ca 0.34 0.00 0.16 0.00 -1.81 0.00 0.00 61.98 60.67 1a5u s VAL 3836Cb -0.10 -2.75 -0.24 0.00 0.56 0.00 0.00 36.38 33.85 1a5u s VAL 3836CO 0.84 0.00 0.23 0.47 -0.31 0.00 0.00 175.10 176.33 1a5u n ASP 3837N -3.99 0.93 -3.56 4.85 8.00 0.93 -4.86 116.55 118.85 1a5u n ASP 3837Ca 0.10 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.51 1a5u n ASP 3837Cb 0.59 1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 43.05 1a5u n ASP 3837CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5u s MET 3838N -2.84 1.27 -0.09 -1.24 0.23 -1.11 -2.04 119.30 113.49 1a5u s MET 3838Ca -0.07 -0.56 0.05 0.00 -1.03 0.00 0.00 55.69 54.07 1a5u s MET 3838Cb 0.08 0.53 -0.00 0.00 -1.53 0.00 0.00 34.83 33.91 1a5u s MET 3838CO 0.71 -0.57 -0.24 0.08 -2.03 0.00 0.00 175.02 172.97 1a5u s VAL 3839N -3.60 2.11 -0.70 5.16 1.01 0.38 -1.97 120.40 122.80 1a5u s VAL 3839Ca 0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 1a5u s VAL 3839Cb -0.02 -1.79 0.18 0.00 0.00 0.00 0.00 36.38 34.75 1a5u s VAL 3839CO -0.06 0.56 0.64 -0.36 0.00 0.00 0.00 175.10 175.88 1a5u s PHE 3840N 0.15 3.56 -0.51 5.22 0.08 -0.69 -0.28 117.98 125.51 1a5u s PHE 3840Ca -0.13 -1.78 -0.29 0.00 0.12 0.00 0.00 56.93 54.85 1a5u s PHE 3840Cb -0.16 -3.77 0.02 0.00 -0.57 0.00 0.00 43.02 38.54 1a5u s PHE 3840CO 0.07 -0.99 1.23 0.00 -0.10 0.00 0.00 175.22 175.43 1a5u s ALA 3841N 0.70 3.05 0.63 5.36 0.00 0.09 -2.21 121.76 129.38 1a5u s ALA 3841Ca 0.12 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.36 1a5u s ALA 3841Cb -0.18 -3.97 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 1a5u s ALA 3841CO -0.04 -2.48 1.18 -1.12 0.00 0.00 0.00 175.76 173.30 1a5u s SER 3842N 3.09 4.97 -1.38 0.00 0.01 -1.26 -1.26 113.70 117.87 1a5u s SER 3842Ca 0.49 2.29 -0.09 0.00 1.31 0.00 0.00 55.95 59.95 1a5u s SER 3842Cb -0.09 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.62 1a5u s SER 3842CO 0.29 -1.74 0.59 0.49 0.41 0.00 0.00 173.24 173.28 1a5u n PHE 3843N -1.99 -1.90 -1.68 2.43 3.72 -1.24 -4.73 117.46 112.06 1a5u n PHE 3843Ca 0.13 0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 57.65 1a5u n PHE 3843Cb 0.50 -3.41 -0.03 0.00 -0.94 0.00 0.00 39.48 35.60 1a5u n PHE 3843CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1a5u s ILE 3844N -3.04 2.80 -0.10 4.37 -1.09 -0.97 -4.86 121.20 118.31 1a5u s ILE 3844Ca 0.42 0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.95 1a5u s ILE 3844Cb -0.21 -3.01 -0.13 0.00 -1.58 0.00 0.00 42.46 37.53 1a5u s ILE 3844CO 0.52 -0.00 0.23 0.54 -1.23 0.00 0.00 174.94 175.00 1a5u n ARG 3845N 6.77 1.17 -3.54 2.79 1.74 -1.26 -3.96 116.66 120.37 1a5u n ARG 3845Ca 0.19 -0.06 -0.07 0.00 -0.77 0.00 0.00 57.85 57.13 1a5u n ARG 3845Cb 0.40 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.68 1a5u n ARG 3845CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a5u s LYS 3846N -2.42 0.82 0.54 5.56 -2.85 -1.26 -4.46 119.74 115.68 1a5u s LYS 3846Ca -0.02 -0.33 0.24 0.00 -1.00 0.00 0.00 55.97 54.86 1a5u s LYS 3846Cb 0.06 0.36 1.52 0.00 -2.06 0.00 0.00 37.83 37.71 1a5u s LYS 3846CO 0.36 -0.36 2.17 0.00 0.10 0.00 0.00 175.35 177.61 1a5u h ALA 3847N 2.00 1.63 -0.09 0.59 0.00 -1.87 -0.58 119.26 120.93 1a5u h ALA 3847Ca -0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1a5u h ALA 3847Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1a5u h ALA 3847CO 0.30 0.05 0.01 0.00 0.00 0.00 0.00 179.25 179.61 1a5u h ALA 3848N 1.96 1.86 -0.25 0.00 0.00 -1.95 -0.40 119.26 120.47 1a5u h ALA 3848Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a5u h ALA 3848Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a5u h ALA 3848CO 0.01 0.11 0.01 -0.44 0.00 0.00 0.00 179.25 178.94 1a5u h ASP 3849N 0.12 0.43 -0.13 0.00 3.32 -1.51 -1.05 116.42 117.59 1a5u h ASP 3849Ca 0.03 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1a5u h ASP 3849Cb 0.06 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1a5u h ASP 3849CO -0.00 0.62 -0.05 0.58 -1.72 0.00 0.00 179.24 178.67 1a5u h VAL 3850N 0.23 0.83 -0.98 -1.35 2.07 -1.30 -0.75 116.25 114.99 1a5u h VAL 3850Ca 0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1a5u h VAL 3850Cb 0.39 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 1a5u h VAL 3850CO 0.01 0.00 0.62 0.45 0.02 0.00 0.00 177.57 178.67 1a5u h HIS 3851N -0.03 1.07 0.26 1.57 3.86 -0.89 -1.70 115.15 119.29 1a5u h HIS 3851Ca 0.07 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1a5u h HIS 3851Cb 0.13 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 1a5u h HIS 3851CO -0.18 0.39 -0.39 0.93 0.86 0.00 0.00 177.93 179.54 1a5u h GLU 3852N 0.90 -0.69 -0.61 2.45 5.08 0.20 -0.71 114.58 121.21 1a5u h GLU 3852Ca 0.50 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.02 1a5u h GLU 3852Cb 0.59 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 1a5u h GLU 3852CO -0.27 -0.46 0.14 0.28 -1.00 0.00 0.00 179.01 177.71 1a5u h VAL 3853N -0.71 0.65 -0.90 3.13 2.07 -0.95 0.13 116.25 119.66 1a5u h VAL 3853Ca -0.00 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.52 1a5u h VAL 3853Cb 0.68 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 1a5u h VAL 3853CO -0.14 0.05 0.58 -0.09 0.02 0.00 0.00 177.57 177.99 1a5u h ARG 3854N 0.27 0.87 -0.08 1.57 9.65 -0.76 0.29 114.38 126.20 1a5u h ARG 3854Ca 0.32 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.99 1a5u h ARG 3854Cb 0.47 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1a5u h ARG 3854CO -0.40 0.58 -0.64 -0.22 2.80 0.00 0.00 179.97 182.09 1a5u h LYS 3855N 0.90 0.30 -0.05 0.20 3.64 0.51 -1.81 116.57 120.27 1a5u h LYS 3855Ca 0.42 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1a5u h LYS 3855Cb 0.41 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1a5u h LYS 3855CO -0.18 0.84 -0.05 0.82 -2.27 0.00 0.00 179.45 178.61 1a5u h ILE 3856N 0.22 1.38 -0.90 2.00 1.08 -0.21 -3.02 117.51 118.05 1a5u h ILE 3856Ca -0.01 -1.20 0.11 0.00 -0.39 0.00 0.00 64.86 63.37 1a5u h ILE 3856Cb 1.16 2.08 -0.07 0.00 -3.07 0.00 0.00 36.82 36.92 1a5u h ILE 3856CO 0.10 0.33 0.58 -0.07 -0.69 0.00 0.00 178.15 178.40 1a5u h LEU 3857N -0.34 0.79 0.00 1.44 3.38 -1.01 -3.47 115.31 116.10 1a5u h LEU 3857Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a5u h LEU 3857Cb 0.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1a5u h LEU 3857CO 0.01 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1a5u n GLY 3858N -1.40 0.38 0.35 0.83 0.00 -0.68 -1.09 105.19 103.58 1a5u n GLY 3858Ca 0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1a5u n GLY 3858CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a5u h GLU 3859N 0.00 1.21 -0.55 1.61 4.39 -1.88 -0.43 114.58 118.93 1a5u h GLU 3859Ca 0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1a5u h GLU 3859Cb 0.00 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 1a5u h GLU 3859CO 0.00 0.80 0.12 0.87 -1.16 0.00 0.00 179.01 179.64 1a5u h LYS 3860N 1.25 0.86 -0.82 2.33 1.57 -1.95 -3.01 116.57 116.79 1a5u h LYS 3860Ca 0.35 -0.18 -0.46 0.00 -1.87 0.00 0.00 60.65 58.50 1a5u h LYS 3860Cb -0.10 -0.13 -0.26 0.00 0.08 0.00 0.00 32.23 31.82 1a5u h LYS 3860CO -0.09 0.78 0.44 0.41 -0.57 0.00 0.00 179.45 180.42 1a5u n GLY 3861N -0.82 4.86 0.39 3.86 0.00 -0.25 -4.69 105.19 108.54 1a5u n GLY 3861Ca 0.04 -1.35 0.16 0.00 0.00 0.00 0.00 46.02 44.88 1a5u n GLY 3861CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5u h LYS 3862N 1.18 0.45 0.00 1.61 1.57 -1.00 -2.13 116.57 118.25 1a5u h LYS 3862Ca 0.52 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1a5u h LYS 3862Cb 2.24 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.44 1a5u h LYS 3862CO 0.98 0.30 -0.33 0.09 -0.57 0.00 0.00 179.45 179.92 1a5u n ASN 3863N -4.51 0.36 -4.77 0.86 5.03 -1.26 -4.92 115.26 106.05 1a5u n ASN 3863Ca 0.17 0.06 -0.38 0.00 0.87 0.00 0.00 54.58 55.30 1a5u n ASN 3863Cb 0.59 -0.04 -0.01 0.00 -1.02 0.00 0.00 39.78 39.31 1a5u n ASN 3863CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 3864N -3.02 2.89 -0.09 2.41 1.01 -0.80 -4.99 121.20 118.60 1a5u s ILE 3864Ca 0.12 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.36 1a5u s ILE 3864Cb 0.18 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1a5u s ILE 3864CO 0.64 0.04 0.29 -0.54 0.00 0.00 0.00 174.94 175.37 1a5u s LYS 3865N -2.50 3.91 -0.37 2.79 -0.14 -0.87 -4.92 119.74 117.64 1a5u s LYS 3865Ca 0.61 0.14 -0.09 0.00 -1.36 0.00 0.00 55.97 55.28 1a5u s LYS 3865Cb -0.33 -3.29 0.04 0.00 -1.68 0.00 0.00 37.83 32.57 1a5u s LYS 3865CO 0.41 0.55 0.17 0.42 -0.76 0.00 0.00 175.35 176.13 1a5u s ILE 3866N -0.49 4.19 -0.46 2.17 1.01 -1.26 0.14 121.20 126.50 1a5u s ILE 3866Ca 0.19 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1a5u s ILE 3866Cb -0.14 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.00 1a5u s ILE 3866CO 0.07 -0.25 0.42 -0.63 0.00 0.00 0.00 174.94 174.55 1a5u s ILE 3867N 1.47 5.16 -0.07 2.92 -1.09 0.62 0.10 121.20 130.32 1a5u s ILE 3867Ca 0.01 -0.82 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 1a5u s ILE 3867Cb -0.20 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1a5u s ILE 3867CO 0.04 -0.55 1.11 -0.44 -1.23 0.00 0.00 174.94 173.87 1a5u s SER 3868N 2.37 7.14 -0.25 3.58 0.01 0.16 -0.73 113.70 125.99 1a5u s SER 3868Ca 0.07 1.70 -0.22 0.00 1.31 0.00 0.00 55.95 58.80 1a5u s SER 3868Cb -0.22 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.44 1a5u s SER 3868CO 0.09 -0.51 0.73 -0.54 0.41 0.00 0.00 173.24 173.42 1a5u s LYS 3869N 2.04 4.14 -0.80 12.44 1.02 -0.39 -1.25 119.74 136.94 1a5u s LYS 3869Ca 0.53 0.73 -0.22 0.00 0.02 0.00 0.00 55.97 57.03 1a5u s LYS 3869Cb -0.22 -3.65 0.08 0.00 -0.52 0.00 0.00 37.83 33.52 1a5u s LYS 3869CO 0.21 -0.47 1.12 0.42 -0.92 0.00 0.00 175.35 175.70 1a5u s ILE 3870N 2.68 4.33 -0.04 2.17 -1.09 -0.32 -2.30 121.20 126.63 1a5u s ILE 3870Ca 0.30 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1a5u s ILE 3870Cb -0.15 -4.79 0.05 0.00 -1.58 0.00 0.00 42.46 35.98 1a5u s ILE 3870CO 0.08 -1.58 1.03 -1.84 -1.23 0.00 0.00 174.94 171.39 1a5u n GLU 3871N 7.68 2.79 -4.17 2.79 0.28 -1.26 -3.61 120.64 125.14 1a5u n GLU 3871Ca 0.11 -1.65 -0.12 0.00 -0.16 0.00 0.00 57.16 55.34 1a5u n GLU 3871Cb 0.48 -1.07 -0.09 0.00 1.43 0.00 0.00 31.44 32.19 1a5u n GLU 3871CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a5u s ASN 3872N -1.23 0.24 0.51 -1.84 6.03 -1.26 -3.08 114.94 114.31 1a5u s ASN 3872Ca 0.05 -1.34 0.18 0.00 -1.03 0.00 0.00 52.86 50.72 1a5u s ASN 3872Cb 0.04 0.44 1.30 0.00 -3.03 0.00 0.00 41.25 40.00 1a5u s ASN 3872CO 0.01 -0.92 2.13 -0.74 -2.03 0.00 0.00 177.10 175.55 1a5u h HIS 3873N 2.51 0.00 -0.23 1.54 -0.00 -1.93 -1.99 115.15 115.04 1a5u h HIS 3873Ca -0.33 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 59.89 1a5u h HIS 3873Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.65 1a5u h HIS 3873CO 0.49 0.05 -0.45 1.49 -0.00 0.00 0.00 177.93 179.50 1a5u h GLU 3874N 0.00 0.59 -0.43 5.26 4.81 -1.92 -2.46 114.58 120.44 1a5u h GLU 3874Ca -0.00 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1a5u h GLU 3874Cb 0.08 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1a5u h GLU 3874CO 0.01 0.93 0.19 0.78 -0.73 0.00 0.00 179.01 180.18 1a5u h GLY 3875N 1.03 0.57 0.76 1.92 0.00 -1.49 -0.77 103.07 105.10 1a5u h GLY 3875Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1a5u h GLY 3875CO 0.09 0.07 -0.47 -2.08 0.00 0.00 0.00 176.54 174.14 1a5u h VAL 3876N 0.38 0.00 -0.99 4.60 2.07 -1.38 -1.12 116.25 119.82 1a5u h VAL 3876Ca 0.19 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.88 1a5u h VAL 3876Cb 0.13 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 1a5u h VAL 3876CO -0.16 0.00 0.60 -0.09 0.02 0.00 0.00 177.57 177.94 1a5u h ARG 3877N -1.16 0.77 -0.62 1.57 2.43 -1.27 -1.03 114.38 115.06 1a5u h ARG 3877Ca -0.10 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.92 1a5u h ARG 3877Cb 0.93 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.25 1a5u h ARG 3877CO 0.10 0.51 0.12 0.54 -1.51 0.00 0.00 179.97 179.73 1a5u n ARG 3878N -4.75 4.14 -0.17 0.20 5.12 -0.31 -4.74 116.66 116.16 1a5u n ARG 3878Ca 0.22 -3.11 -0.07 0.00 -1.93 0.00 0.00 57.85 52.96 1a5u n ARG 3878Cb 0.52 -2.20 -0.05 0.00 -1.16 0.00 0.00 32.46 29.56 1a5u n ARG 3878CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1a5u h PHE 3879N 3.14 -0.99 -0.80 -1.55 3.57 0.14 -2.65 116.94 117.81 1a5u h PHE 3879Ca 0.13 0.06 0.19 0.00 3.53 0.00 0.00 57.97 61.88 1a5u h PHE 3879Cb 2.10 0.48 -0.13 0.00 2.79 0.00 0.00 35.95 41.20 1a5u h PHE 3879CO 1.14 -0.23 0.16 -0.44 -2.23 0.00 0.00 178.31 176.71 1a5u h ASP 3880N -0.09 -0.08 -0.49 0.41 3.32 -1.85 0.44 116.42 118.08 1a5u h ASP 3880Ca 0.07 0.18 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1a5u h ASP 3880Cb 0.26 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1a5u h ASP 3880CO -0.43 -0.12 -0.09 1.05 -1.72 0.00 0.00 179.24 177.92 1a5u h GLU 3881N 0.20 0.93 -0.31 3.56 4.11 -1.91 0.33 114.58 121.49 1a5u h GLU 3881Ca 0.47 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 1a5u h GLU 3881Cb 0.87 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1a5u h GLU 3881CO -0.61 1.00 0.17 0.82 0.07 0.00 0.00 179.01 180.46 1a5u h ILE 3882N 0.79 1.14 -0.32 -1.06 2.04 -0.31 -1.92 117.51 117.87 1a5u h ILE 3882Ca 0.13 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1a5u h ILE 3882Cb 0.64 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1a5u h ILE 3882CO 0.04 0.14 0.06 0.25 0.00 0.00 0.00 178.15 178.64 1a5u h LEU 3883N 0.38 0.01 -1.61 1.44 5.85 0.07 0.12 115.31 121.57 1a5u h LEU 3883Ca 0.11 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1a5u h LEU 3883Cb 0.07 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1a5u h LEU 3883CO -0.02 0.04 0.15 -0.08 -0.34 0.00 0.00 178.44 178.19 1a5u h GLU 3884N 0.17 0.41 0.00 1.25 4.57 -0.08 -3.07 114.58 117.83 1a5u h GLU 3884Ca 0.15 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 1a5u h GLU 3884Cb 0.16 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1a5u h GLU 3884CO -0.20 0.32 -0.91 0.00 -1.18 0.00 0.00 179.01 177.04 1a5u h ALA 3885N 1.75 0.66 -2.19 2.92 0.00 -0.34 -3.47 119.26 118.59 1a5u h ALA 3885Ca 0.11 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 1a5u h ALA 3885Cb 0.04 0.09 0.06 0.00 0.00 0.00 0.00 17.79 17.98 1a5u h ALA 3885CO -0.02 0.55 0.14 -1.12 0.00 0.00 0.00 179.25 178.80 1a5u s SER 3886N -5.94 5.22 0.24 0.00 0.01 0.26 -4.91 113.70 108.57 1a5u s SER 3886Ca 0.01 0.43 0.20 0.00 1.31 0.00 0.00 55.95 57.89 1a5u s SER 3886Cb 0.08 -1.27 0.06 0.00 0.21 0.00 0.00 66.02 65.10 1a5u s SER 3886CO 0.77 -1.28 1.21 0.44 0.41 0.00 0.00 173.24 174.80 1a5u h ASP 3887N -0.27 0.00 -5.70 2.44 3.32 0.37 -3.48 116.42 113.11 1a5u h ASP 3887Ca -0.44 0.00 0.29 0.00 0.02 0.00 0.00 57.03 56.90 1a5u h ASP 3887Cb 1.29 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 1a5u h ASP 3887CO 0.59 0.24 0.79 -0.83 -1.72 0.00 0.00 179.24 178.31 1a5u s GLY 3888N -4.45 -0.19 0.17 2.75 0.00 -1.15 -4.16 107.32 100.29 1a5u s GLY 3888Ca 0.02 0.20 0.07 0.00 0.00 0.00 0.00 44.72 45.01 1a5u s GLY 3888CO 0.76 2.67 -0.15 -0.42 0.00 0.00 0.00 173.10 175.95 1a5u s ILE 3889N -2.28 1.59 -0.11 0.90 -1.09 -0.48 -0.66 121.20 119.07 1a5u s ILE 3889Ca 0.21 -1.99 0.02 0.00 -2.23 0.00 0.00 60.65 56.66 1a5u s ILE 3889Cb 0.01 -1.84 0.01 0.00 -1.58 0.00 0.00 42.46 39.07 1a5u s ILE 3889CO -0.00 -0.49 -0.16 -0.32 -1.23 0.00 0.00 174.94 172.73 1a5u s MET 3890N -3.18 2.31 -1.18 2.79 -2.45 -0.38 -1.42 119.30 115.80 1a5u s MET 3890Ca 0.17 -0.60 -0.16 0.00 -1.25 0.00 0.00 55.69 53.84 1a5u s MET 3890Cb -0.03 -1.92 0.13 0.00 1.25 0.00 0.00 34.83 34.26 1a5u s MET 3890CO 0.05 -0.03 1.47 0.08 1.05 0.00 0.00 175.02 177.65 1a5u s VAL 3891N 0.88 4.69 -1.25 10.11 1.01 0.19 -1.17 120.40 134.87 1a5u s VAL 3891Ca -0.09 -2.20 -0.19 0.00 0.00 0.00 0.00 61.98 59.51 1a5u s VAL 3891Cb -0.15 -4.98 0.00 0.00 0.00 0.00 0.00 36.38 31.25 1a5u s VAL 3891CO -0.00 -1.73 1.88 0.00 0.00 0.00 0.00 175.10 175.25 1a5u n ALA 3892N 6.67 3.37 0.28 5.51 0.00 -1.24 -2.40 120.51 132.71 1a5u n ALA 3892Ca 0.38 -3.59 0.16 0.00 0.00 0.00 0.00 53.44 50.39 1a5u n ALA 3892Cb 0.45 -3.57 0.79 0.00 0.00 0.00 0.00 19.45 17.12 1a5u n ALA 3892CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ARG 3893N 7.93 0.00 0.42 0.00 3.08 -1.84 -2.86 114.38 121.10 1a5u h ARG 3893Ca 0.40 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.43 1a5u h ARG 3893Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1a5u h ARG 3893CO 1.50 0.00 -0.20 0.78 -1.07 0.00 0.00 179.97 180.99 1a5u h GLY 3894N 0.81 -0.58 0.98 0.04 0.00 -1.85 0.20 103.07 102.66 1a5u h GLY 3894Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1a5u h GLY 3894CO 0.00 -0.21 0.09 -0.55 0.00 0.00 0.00 176.54 175.87 1a5u h ASP 3895N -0.56 0.15 -0.66 0.19 3.32 -1.85 -2.87 116.42 114.14 1a5u h ASP 3895Ca -0.06 -0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.13 1a5u h ASP 3895Cb 0.43 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.84 1a5u h ASP 3895CO 0.09 0.11 0.12 0.25 -1.72 0.00 0.00 179.24 178.10 1a5u h LEU 3896N 0.19 -0.05 0.00 1.55 5.85 -1.43 0.56 115.31 121.97 1a5u h LEU 3896Ca 0.06 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a5u h LEU 3896Cb -0.01 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1a5u h LEU 3896CO -0.02 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.65 1a5u n GLY 3897N -1.34 -0.85 0.08 3.75 0.00 0.70 -1.27 105.19 106.26 1a5u n GLY 3897Ca 0.11 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1a5u n GLY 3897CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a5u n ILE 3898N -1.44 1.02 0.31 -0.61 0.13 0.39 -3.62 119.36 115.54 1a5u n ILE 3898Ca 0.04 -0.45 0.19 0.00 -1.10 0.00 0.00 62.75 61.43 1a5u n ILE 3898Cb 0.13 -1.00 0.95 0.00 -0.84 0.00 0.00 39.64 38.87 1a5u n ILE 3898CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a5u h GLU 3899N 0.00 0.00 -4.56 9.51 4.39 0.25 -3.42 114.58 120.75 1a5u h GLU 3899Ca -0.40 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.10 1a5u h GLU 3899Cb 1.69 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.19 1a5u h GLU 3899CO -0.04 0.00 -0.69 0.96 -1.16 0.00 0.00 179.01 178.08 1a5u s ILE 3900N -3.88 0.56 0.30 3.13 -4.36 -0.40 -4.50 121.20 112.05 1a5u s ILE 3900Ca -0.02 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.16 1a5u s ILE 3900Cb 0.11 -1.68 -0.12 0.00 1.25 0.00 0.00 42.46 42.02 1a5u s ILE 3900CO 0.43 -0.87 1.56 -2.65 0.24 0.00 0.00 174.94 173.65 1a5u n PRO 3901N -0.02 2.61 0.29 0.37 -0.02 -1.26 -4.45 135.00 132.51 1a5u n PRO 3901Ca -0.12 0.93 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1a5u n PRO 3901Cb 0.61 -2.68 0.83 0.00 -0.02 0.00 0.00 33.50 32.24 1a5u n PRO 3901CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5u h ALA 3902N 4.46 1.64 0.00 3.55 0.00 -1.91 -0.51 119.26 126.48 1a5u h ALA 3902Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a5u h ALA 3902Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a5u h ALA 3902CO 0.77 0.01 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 1a5u n GLU 3903N -4.02 0.07 -0.00 0.00 0.00 -1.26 -2.59 120.64 112.83 1a5u n GLU 3903Ca -0.03 0.17 0.09 0.00 0.00 0.00 0.00 57.16 57.39 1a5u n GLU 3903Cb 0.09 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.92 1a5u n GLU 3903CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 3904N -1.45 0.72 -0.30 3.44 4.76 -0.20 -4.61 118.16 120.51 1a5u n LYS 3904Ca 0.05 -0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.61 1a5u n LYS 3904Cb 0.19 -1.41 0.41 0.00 -1.84 0.00 0.00 35.03 32.38 1a5u n LYS 3904CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a5u h VAL 3905N 0.00 0.72 0.00 -0.18 2.07 -1.49 -0.20 116.25 117.18 1a5u h VAL 3905Ca 0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1a5u h VAL 3905Cb 0.55 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1a5u h VAL 3905CO 0.00 0.11 -0.20 2.19 0.02 0.00 0.00 177.57 179.70 1a5u h PHE 3906N 0.62 0.00 -0.23 1.57 -0.00 -1.81 -0.61 116.94 116.48 1a5u h PHE 3906Ca 0.51 0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 58.30 1a5u h PHE 3906Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 1a5u h PHE 3906CO -0.00 0.20 -0.60 -0.07 -0.00 0.00 0.00 178.31 177.84 1a5u h LEU 3907N 0.00 0.86 -0.40 2.10 3.38 -1.34 -2.33 115.31 117.57 1a5u h LEU 3907Ca -0.00 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1a5u h LEU 3907Cb 0.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1a5u h LEU 3907CO 0.03 1.26 -0.24 0.00 0.09 0.00 0.00 178.44 179.57 1a5u h ALA 3908N 0.75 0.57 -0.23 1.53 0.00 -1.31 -1.20 119.26 119.37 1a5u h ALA 3908Ca -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.58 1a5u h ALA 3908Cb 1.19 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1a5u h ALA 3908CO 0.12 0.56 -0.19 0.37 0.00 0.00 0.00 179.25 180.12 1a5u h GLN 3909N 0.68 -0.18 -0.38 0.00 4.15 -1.06 0.62 115.11 118.94 1a5u h GLN 3909Ca 0.08 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 1a5u h GLN 3909Cb 0.81 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1a5u h GLN 3909CO 0.07 -0.12 -0.08 0.87 -1.93 0.00 0.00 178.83 177.64 1a5u h LYS 3910N -0.19 0.72 0.13 1.69 1.57 -1.36 -0.44 116.57 118.69 1a5u h LYS 3910Ca 0.13 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1a5u h LYS 3910Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1a5u h LYS 3910CO -0.34 0.86 -0.06 1.98 -0.57 0.00 0.00 179.45 181.32 1a5u h MET 3911N 0.52 -0.17 -0.69 3.15 4.05 -0.98 0.08 114.93 120.89 1a5u h MET 3911Ca 0.10 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1a5u h MET 3911Cb 0.59 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.39 1a5u h MET 3911CO 0.03 -0.11 0.45 0.82 0.23 0.00 0.00 176.91 178.34 1a5u h ILE 3912N -0.18 1.17 0.15 1.77 2.04 0.39 -2.27 117.51 120.58 1a5u h ILE 3912Ca -0.02 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1a5u h ILE 3912Cb 0.14 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1a5u h ILE 3912CO 0.03 0.17 -0.07 0.40 0.00 0.00 0.00 178.15 178.68 1a5u h ILE 3913N 0.93 0.94 -0.62 -0.67 2.04 -0.90 -1.02 117.51 118.21 1a5u h ILE 3913Ca 0.25 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1a5u h ILE 3913Cb -0.10 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1a5u h ILE 3913CO -0.06 0.09 0.23 1.23 0.00 0.00 0.00 178.15 179.64 1a5u h GLY 3914N -0.37 0.87 1.69 5.37 0.00 -0.95 0.73 103.07 110.42 1a5u h GLY 3914Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1a5u h GLY 3914CO 0.03 -0.03 -0.08 3.21 0.00 0.00 0.00 176.54 179.67 1a5u h ARG 3915N 0.41 0.38 -0.15 4.80 3.08 -1.31 0.35 114.38 121.94 1a5u h ARG 3915Ca 0.32 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 1a5u h ARG 3915Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1a5u h ARG 3915CO -0.32 0.48 -0.39 0.00 -1.07 0.00 0.00 179.97 178.67 1a5u h ASN 3917N 0.16 -0.63 -0.60 0.00 -0.26 -0.50 0.84 115.58 114.59 1a5u h ASN 3917Ca -0.01 0.12 0.16 0.00 -0.56 0.00 0.00 56.30 56.02 1a5u h ASN 3917Cb 1.00 0.31 -0.03 0.00 -1.06 0.00 0.00 38.32 38.55 1a5u h ASN 3917CO 0.08 -0.24 0.42 -0.09 -1.06 0.00 0.00 177.43 176.55 1a5u h ARG 3918N -0.20 0.06 -0.01 0.81 2.43 -0.26 -1.20 114.38 116.02 1a5u h ARG 3918Ca 0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1a5u h ARG 3918Cb 0.40 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1a5u h ARG 3918CO -0.35 0.04 -0.61 0.00 -1.51 0.00 0.00 179.97 177.54 1a5u n ALA 3919N -2.63 3.82 -1.47 2.80 0.00 0.49 -4.79 120.51 118.73 1a5u n ALA 3919Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1a5u n ALA 3919Cb 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1a5u n ALA 3919CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5u n GLY 3920N 1.34 0.50 3.41 0.00 0.00 0.26 -5.04 105.19 105.66 1a5u n GLY 3920Ca 0.06 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1a5u n GLY 3920CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 3921N -3.01 2.04 0.53 1.61 1.02 -0.47 -5.01 119.74 116.45 1a5u s LYS 3921Ca 0.00 -0.98 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 1a5u s LYS 3921Cb 0.00 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1a5u s LYS 3921CO 0.00 0.54 1.37 -2.30 -0.92 0.00 0.00 175.35 174.05 1a5u n PRO 3922N 1.79 1.78 -3.85 -1.68 -0.02 -1.26 -4.28 135.00 127.48 1a5u n PRO 3922Ca -0.16 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1a5u n PRO 3922Cb 0.52 -2.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 1a5u n PRO 3922CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a5u s VAL 3923N -1.27 -0.01 -0.10 -1.45 0.11 -1.26 -1.38 120.40 115.04 1a5u s VAL 3923Ca 0.70 0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1a5u s VAL 3923Cb -0.42 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1a5u s VAL 3923CO 0.50 0.02 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.59 1a5u s ILE 3924N 0.20 3.64 -0.24 7.04 1.01 -0.50 -0.00 121.20 132.34 1a5u s ILE 3924Ca -0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 1a5u s ILE 3924Cb -0.02 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1a5u s ILE 3924CO -0.01 0.56 0.10 0.00 0.00 0.00 0.00 174.94 175.59 1a5u s ALA 3926N 1.42 2.15 0.14 0.00 0.00 -1.01 -1.65 121.76 122.81 1a5u s ALA 3926Ca 0.06 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1a5u s ALA 3926Cb -0.15 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.46 1a5u s ALA 3926CO 0.05 -0.23 0.00 2.41 0.00 0.00 0.00 175.76 177.99 1a5u n THR 3927N -0.56 -8.20 -1.25 0.00 -1.04 -1.26 -3.78 114.28 98.19 1a5u n THR 3927Ca -0.04 1.99 -0.09 0.00 -2.04 0.00 0.00 64.05 63.88 1a5u n THR 3927Cb 0.65 -3.88 -0.04 0.00 -1.82 0.00 0.00 70.33 65.24 1a5u n THR 3927CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 3928N 0.98 -0.83 0.03 -2.82 6.02 -1.26 -4.74 117.38 114.77 1a5u n GLN 3928Ca 0.00 0.76 -0.03 0.00 -0.01 0.00 0.00 57.00 57.72 1a5u n GLN 3928Cb 0.00 -4.69 0.22 0.00 1.02 0.00 0.00 30.24 26.79 1a5u n GLN 3928CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 3929N 0.10 0.43 -0.32 -1.09 2.86 -1.87 -3.27 114.93 111.77 1a5u h MET 3929Ca -0.18 -0.16 -0.25 0.00 -2.06 0.00 0.00 59.70 57.05 1a5u h MET 3929Cb 0.68 -0.03 -0.37 0.00 0.06 0.00 0.00 31.60 31.95 1a5u h MET 3929CO 0.26 0.66 -1.00 1.28 1.06 0.00 0.00 176.91 179.17 1a5u n LEU 3930N -4.12 1.99 -0.34 1.22 4.77 -1.26 -4.62 117.00 114.64 1a5u n LEU 3930Ca -0.01 -3.06 0.13 0.00 -0.03 0.00 0.00 56.01 53.05 1a5u n LEU 3930Cb 0.41 0.14 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 1a5u n LEU 3930CO 0.42 1.07 0.75 1.21 -1.33 0.00 0.00 177.39 179.51 1a5u n GLU 3931N -0.35 -0.08 0.17 3.23 4.07 -1.24 -0.24 120.64 126.21 1a5u n GLU 3931Ca 0.13 1.47 0.16 0.00 -0.06 0.00 0.00 57.16 58.85 1a5u n GLU 3931Cb 0.91 -2.30 0.76 0.00 -0.06 0.00 0.00 31.44 30.75 1a5u n GLU 3931CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a5u h SER 3932N 0.00 0.00 0.00 4.31 4.64 -1.92 -2.11 113.55 118.47 1a5u h SER 3932Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1a5u h SER 3932Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1a5u h SER 3932CO -0.93 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.26 1a5u n MET 3933N -4.11 0.72 -0.21 4.77 2.81 0.67 -1.71 117.12 120.07 1a5u n MET 3933Ca 0.02 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.86 1a5u n MET 3933Cb 0.33 -1.46 0.10 0.00 -0.71 0.00 0.00 33.22 31.48 1a5u n MET 3933CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 3934N 0.00 1.25 0.00 2.02 1.08 -1.53 -3.27 117.51 117.07 1a5u h ILE 3934Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1a5u h ILE 3934Cb 0.00 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1a5u h ILE 3934CO 0.00 0.35 -0.95 0.29 -0.69 0.00 0.00 178.15 177.15 1a5u n LYS 3935N -4.24 2.06 -4.60 2.37 4.76 -1.11 0.95 118.16 118.34 1a5u n LYS 3935Ca 0.05 -0.04 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1a5u n LYS 3935Cb 0.25 -1.08 -0.14 0.00 -1.84 0.00 0.00 35.03 32.23 1a5u n LYS 3935CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 3936N -2.26 1.39 0.35 1.97 1.02 -0.69 -4.94 119.74 116.58 1a5u s LYS 3936Ca -0.00 -1.02 0.25 0.00 0.02 0.00 0.00 55.97 55.22 1a5u s LYS 3936Cb 0.06 -1.56 0.62 0.00 -0.52 0.00 0.00 37.83 36.43 1a5u s LYS 3936CO 0.37 0.39 1.70 -1.00 -0.92 0.00 0.00 175.35 175.90 1a5u h PRO 3937N 4.68 0.00 -6.41 -1.68 0.13 -1.88 -3.34 132.00 123.50 1a5u h PRO 3937Ca -0.44 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1a5u h PRO 3937Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1a5u h PRO 3937CO 0.43 0.00 -0.87 1.03 -0.23 0.00 0.00 178.00 178.36 1a5u s ARG 3938N -3.20 1.77 0.58 0.86 0.52 -1.26 -4.87 118.95 113.34 1a5u s ARG 3938Ca 0.08 -0.95 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1a5u s ARG 3938Cb 0.08 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.72 1a5u s ARG 3938CO 0.62 0.48 0.91 -1.25 0.02 0.00 0.00 175.30 176.09 1a5u s PRO 3939N -0.90 3.23 0.85 3.54 0.04 -1.26 -4.65 135.00 135.85 1a5u s PRO 3939Ca 0.10 0.26 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1a5u s PRO 3939Cb -0.09 -2.24 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1a5u s PRO 3939CO 0.01 -0.57 1.14 0.95 0.04 0.00 0.00 177.00 178.57 1a5u s THR 3940N -3.00 2.30 0.09 1.26 -4.23 -1.26 -4.88 115.64 105.93 1a5u s THR 3940Ca 0.53 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.94 1a5u s THR 3940Cb -0.11 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.74 1a5u s THR 3940CO 0.48 -0.13 1.62 0.03 -0.54 0.00 0.00 174.62 176.08 1a5u h ARG 3941N -1.26 0.35 0.00 3.99 2.47 -1.99 -0.22 114.38 117.71 1a5u h ARG 3941Ca -0.48 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.16 1a5u h ARG 3941Cb 1.31 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1a5u h ARG 3941CO 0.63 0.42 -0.03 0.00 0.56 0.00 0.00 179.97 181.54 1a5u h ALA 3942N 0.91 1.70 0.06 0.04 0.00 -1.99 -0.82 119.26 119.16 1a5u h ALA 3942Ca 0.07 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1a5u h ALA 3942Cb 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a5u h ALA 3942CO -0.00 0.04 -1.09 0.93 0.00 0.00 0.00 179.25 179.12 1a5u h GLU 3943N 0.00 0.47 -0.58 0.00 5.08 -1.66 -1.02 114.58 116.86 1a5u h GLU 3943Ca -0.00 -0.58 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 1a5u h GLU 3943Cb 0.07 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1a5u h GLU 3943CO 0.00 1.22 0.20 0.78 -1.00 0.00 0.00 179.01 180.21 1a5u h GLY 3944N 0.98 0.96 0.87 -3.84 0.00 0.25 -2.41 103.07 99.89 1a5u h GLY 3944Ca -0.12 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1a5u h GLY 3944CO 0.20 0.52 0.08 0.23 0.00 0.00 0.00 176.54 177.57 1a5u h SER 3945N 0.82 0.10 0.20 0.19 0.87 -1.17 -2.53 113.55 112.03 1a5u h SER 3945Ca 0.19 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1a5u h SER 3945Cb 0.26 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1a5u h SER 3945CO -0.01 0.09 -0.40 -0.78 -0.53 0.00 0.00 176.83 175.20 1a5u h ASP 3946N 0.18 -1.14 -0.71 6.23 3.58 -1.00 1.01 116.42 124.58 1a5u h ASP 3946Ca 0.08 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.72 1a5u h ASP 3946Cb 0.04 0.41 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 1a5u h ASP 3946CO -0.07 -0.49 0.39 0.58 -2.88 0.00 0.00 179.24 176.76 1a5u h VAL 3947N -0.68 0.93 -0.15 2.25 2.07 -1.47 -1.08 116.25 118.13 1a5u h VAL 3947Ca 0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1a5u h VAL 3947Cb 0.68 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1a5u h VAL 3947CO -0.18 0.13 0.02 0.00 0.02 0.00 0.00 177.57 177.55 1a5u h ALA 3948N 1.39 0.20 0.00 1.67 0.00 -0.94 -2.60 119.26 118.98 1a5u h ALA 3948Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a5u h ALA 3948Cb 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a5u h ALA 3948CO -0.21 -0.13 -0.07 -0.91 0.00 0.00 0.00 179.25 177.93 1a5u h ASN 3949N 0.03 0.00 1.22 0.00 4.21 0.13 -0.64 115.58 120.54 1a5u h ASN 3949Ca 0.05 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 1a5u h ASN 3949Cb 0.32 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1a5u h ASN 3949CO 0.00 0.07 -0.38 0.00 -1.29 0.00 0.00 177.43 175.83 1a5u h ALA 3950N 1.93 0.85 0.04 -0.83 0.00 -0.93 0.20 119.26 120.52 1a5u h ALA 3950Ca -0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.30 1a5u h ALA 3950Cb 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a5u h ALA 3950CO 0.01 0.48 -1.07 0.28 0.00 0.00 0.00 179.25 178.95 1a5u h VAL 3951N 0.00 1.33 -0.40 0.00 2.07 -0.78 -2.26 116.25 116.21 1a5u h VAL 3951Ca -0.00 -2.41 -0.15 0.00 0.82 0.00 0.00 66.70 64.95 1a5u h VAL 3951Cb 1.10 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1a5u h VAL 3951CO 0.05 0.73 -0.34 -0.07 0.02 0.00 0.00 177.57 177.96 1a5u h LEU 3952N 0.29 0.96 -0.79 2.57 3.38 -1.09 -2.74 115.31 117.90 1a5u h LEU 3952Ca -0.13 -0.42 0.11 0.00 0.09 0.00 0.00 57.88 57.53 1a5u h LEU 3952Cb 1.72 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1a5u h LEU 3952CO 0.20 1.20 0.42 0.44 0.09 0.00 0.00 178.44 180.79 1a5u h ASP 3953N 0.76 0.56 0.00 -0.43 3.32 -0.56 -3.46 116.42 116.60 1a5u h ASP 3953Ca 0.07 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1a5u h ASP 3953Cb 0.92 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1a5u h ASP 3953CO 0.09 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 1a5u n GLY 3954N -1.32 0.07 3.70 2.75 0.00 -1.00 -4.64 105.19 104.75 1a5u n GLY 3954Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1a5u n GLY 3954CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u n ALA 3955N 0.00 2.05 0.12 4.61 0.00 -0.89 -4.89 120.51 121.51 1a5u n ALA 3955Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 1a5u n ALA 3955Cb 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 19.45 17.10 1a5u n ALA 3955CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a5u h ASP 3956N 5.98 0.00 -5.16 0.00 3.32 -0.72 -3.46 116.42 116.39 1a5u h ASP 3956Ca -0.44 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1a5u h ASP 3956Cb 1.23 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.62 1a5u h ASP 3956CO 0.89 0.69 -0.57 0.00 -1.72 0.00 0.00 179.24 178.54 1a5u s ILE 3958N -3.32 1.80 0.08 0.00 -4.36 0.02 -0.99 121.20 114.42 1a5u s ILE 3958Ca 0.01 -1.58 0.06 0.00 -0.26 0.00 0.00 60.65 58.88 1a5u s ILE 3958Cb 0.03 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1a5u s ILE 3958CO -0.08 -0.04 -0.15 -0.32 0.24 0.00 0.00 174.94 174.59 1a5u s MET 3959N -1.94 0.89 -0.03 0.37 1.75 -0.66 0.18 119.30 119.86 1a5u s MET 3959Ca 0.08 -1.04 0.07 0.00 -1.25 0.00 0.00 55.69 53.55 1a5u s MET 3959Cb -0.10 -0.89 -0.01 0.00 2.84 0.00 0.00 34.83 36.67 1a5u s MET 3959CO 0.05 0.19 -0.24 -0.51 -0.65 0.00 0.00 175.02 173.86 1a5u s LEU 3960N -1.91 2.04 0.00 4.11 1.43 0.25 -4.29 118.68 120.31 1a5u s LEU 3960Ca 0.01 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1a5u s LEU 3960Cb -0.09 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1a5u s LEU 3960CO 0.03 0.27 0.00 -1.20 0.23 0.00 0.00 176.35 175.67 1a5u n SER 3961N 2.68 0.00 0.11 2.29 7.64 -1.26 -1.62 113.62 123.46 1a5u n SER 3961Ca -0.16 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.79 1a5u n SER 3961Cb 0.52 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 64.26 1a5u n SER 3961CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 3962N 0.00 0.29 -0.07 0.23 0.00 -1.95 0.26 103.07 101.83 1a5u h GLY 3962Ca 0.00 -0.11 0.22 0.00 0.00 0.00 0.00 47.33 47.44 1a5u h GLY 3962CO 0.00 0.10 0.53 0.83 0.00 0.00 0.00 176.54 178.00 1a5u h GLU 3963N 0.27 0.56 0.00 4.80 3.07 -1.91 -0.86 114.58 120.51 1a5u h GLU 3963Ca 0.10 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.80 1a5u h GLU 3963Cb 0.05 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1a5u h GLU 3963CO -0.02 0.37 -1.63 0.25 -1.40 0.00 0.00 179.01 176.58 1a5u n THR 3964N -4.90 0.47 0.15 1.13 -2.24 -0.91 -3.40 114.28 104.58 1a5u n THR 3964Ca 0.24 -0.37 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1a5u n THR 3964Cb 0.66 -0.43 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 1a5u n THR 3964CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 3965N 0.64 0.92 0.00 6.98 0.00 0.97 -3.28 119.26 125.50 1a5u h ALA 3965Ca -0.19 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1a5u h ALA 3965Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1a5u h ALA 3965CO 0.01 0.68 0.00 0.36 0.00 0.00 0.00 179.25 180.30 1a5u n LYS 3966N -3.63 0.00 -1.94 0.00 0.00 -0.86 -2.70 118.16 109.04 1a5u n LYS 3966Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.01 1a5u n LYS 3966Cb 0.60 0.00 0.16 0.00 -0.00 0.00 0.00 35.03 35.79 1a5u n LYS 3966CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1a5u s GLY 3967N 0.00 1.73 0.38 2.58 0.00 -0.39 -4.78 107.32 106.84 1a5u s GLY 3967Ca 0.00 -1.05 0.23 0.00 0.00 0.00 0.00 44.72 43.90 1a5u s GLY 3967CO 0.00 -0.37 1.53 -0.55 0.00 0.00 0.00 173.10 173.71 1a5u h ASP 3968N -1.44 0.00 -1.42 1.64 3.32 0.35 -3.39 116.42 115.48 1a5u h ASP 3968Ca -0.45 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 1a5u h ASP 3968Cb 1.26 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.40 1a5u h ASP 3968CO 0.46 0.00 -0.94 -1.22 -1.72 0.00 0.00 179.24 175.83 1a5u n TYR 3969N -2.95 2.37 -0.12 4.55 4.01 -1.23 -4.93 117.16 118.85 1a5u n TYR 3969Ca 0.03 -3.12 -0.05 0.00 -0.16 0.00 0.00 57.90 54.61 1a5u n TYR 3969Cb 0.52 -0.25 0.03 0.00 -0.31 0.00 0.00 39.34 39.33 1a5u n TYR 3969CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 3970N 2.81 0.22 -0.31 -0.72 0.13 -1.76 -1.69 132.00 130.67 1a5u h PRO 3970Ca 0.12 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1a5u h PRO 3970Cb 0.99 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1a5u h PRO 3970CO 0.69 0.14 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.52 1a5u h LEU 3971N 0.22 0.56 -2.01 1.56 3.38 -1.92 -2.42 115.31 114.68 1a5u h LEU 3971Ca 0.19 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1a5u h LEU 3971Cb 0.22 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1a5u h LEU 3971CO -0.24 0.74 0.15 -0.33 0.09 0.00 0.00 178.44 178.85 1a5u h GLU 3972N 0.36 0.00 -0.01 1.13 3.07 -1.90 0.34 114.58 117.58 1a5u h GLU 3972Ca 0.09 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.77 1a5u h GLU 3972Cb 0.46 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1a5u h GLU 3972CO 0.02 0.00 -0.68 0.00 -1.40 0.00 0.00 179.01 176.95 1a5u h ALA 3973N 1.89 0.09 -0.25 3.43 0.00 -0.88 -1.97 119.26 121.58 1a5u h ALA 3973Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1a5u h ALA 3973Cb 0.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a5u h ALA 3973CO -0.00 0.42 0.07 0.28 0.00 0.00 0.00 179.25 180.02 1a5u h VAL 3974N 0.00 1.20 -0.90 0.00 2.07 -0.97 -2.09 116.25 115.57 1a5u h VAL 3974Ca -0.08 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 66.90 1a5u h VAL 3974Cb 1.37 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 1a5u h VAL 3974CO 0.13 0.21 0.58 0.03 0.02 0.00 0.00 177.57 178.54 1a5u h ARG 3975N 0.23 0.89 -0.36 1.57 3.08 -0.98 -1.26 114.38 117.55 1a5u h ARG 3975Ca 0.08 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1a5u h ARG 3975Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1a5u h ARG 3975CO -0.00 0.59 -0.27 1.98 -1.07 0.00 0.00 179.97 181.19 1a5u h MET 3976N 0.91 0.74 -0.39 0.04 4.05 -0.92 -1.97 114.93 117.39 1a5u h MET 3976Ca 0.42 -0.32 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1a5u h MET 3976Cb 0.38 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1a5u h MET 3976CO -0.18 0.93 0.08 1.96 0.23 0.00 0.00 176.91 179.93 1a5u h GLN 3977N 0.64 0.65 -0.30 0.39 4.20 -0.62 -1.68 115.11 118.38 1a5u h GLN 3977Ca 0.08 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.67 1a5u h GLN 3977Cb 0.79 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1a5u h GLN 3977CO 0.06 0.69 0.04 1.25 -0.67 0.00 0.00 178.83 180.20 1a5u h HIS 3978N 0.50 0.05 0.48 2.96 2.76 -1.03 0.34 115.15 121.22 1a5u h HIS 3978Ca 0.12 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1a5u h HIS 3978Cb 0.35 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1a5u h HIS 3978CO 0.02 -0.01 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.34 1a5u h LEU 3979N 0.14 -0.55 -0.92 0.26 3.38 -1.22 -2.59 115.31 113.81 1a5u h LEU 3979Ca 0.14 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1a5u h LEU 3979Cb 0.17 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1a5u h LEU 3979CO -0.21 -0.39 0.58 0.40 0.09 0.00 0.00 178.44 178.91 1a5u h ILE 3980N -0.65 1.04 -0.68 1.22 2.04 -1.04 -2.71 117.51 116.73 1a5u h ILE 3980Ca -0.07 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1a5u h ILE 3980Cb 0.50 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1a5u h ILE 3980CO 0.11 0.19 0.16 0.00 0.00 0.00 0.00 178.15 178.60 1a5u h ALA 3981N 1.44 0.99 -0.38 1.87 0.00 -0.84 -2.50 119.26 119.84 1a5u h ALA 3981Ca 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a5u h ALA 3981Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1a5u h ALA 3981CO -0.19 0.65 0.21 0.00 0.00 0.00 0.00 179.25 179.93 1a5u h ARG 3982N 1.03 0.52 -0.40 0.00 3.08 -1.14 -1.45 114.38 116.03 1a5u h ARG 3982Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1a5u h ARG 3982Cb 0.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1a5u h ARG 3982CO 0.00 0.42 0.21 0.93 -1.07 0.00 0.00 179.97 180.47 1a5u h GLU 3983N 0.48 0.56 -0.05 0.04 4.39 -1.39 -3.06 114.58 115.56 1a5u h GLU 3983Ca 0.13 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 1a5u h GLU 3983Cb 0.04 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1a5u h GLU 3983CO -0.02 0.46 -0.51 0.00 -1.16 0.00 0.00 179.01 177.79 1a5u h ALA 3984N 1.07 1.07 -0.67 3.43 0.00 -1.32 -2.66 119.26 120.17 1a5u h ALA 3984Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1a5u h ALA 3984Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1a5u h ALA 3984CO -0.02 0.65 0.35 0.93 0.00 0.00 0.00 179.25 181.16 1a5u h GLU 3985N 0.10 0.94 -0.03 0.00 5.08 -1.19 -1.54 114.58 117.93 1a5u h GLU 3985Ca 0.00 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1a5u h GLU 3985Cb 0.93 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1a5u h GLU 3985CO 0.07 0.70 -0.69 0.00 -1.00 0.00 0.00 179.01 178.09 1a5u h ALA 3986N 1.45 0.78 0.00 3.43 0.00 -1.41 -3.02 119.26 120.49 1a5u h ALA 3986Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1a5u h ALA 3986Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a5u h ALA 3986CO -0.04 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1a5u n ALA 3987N -2.45 1.80 -1.50 0.00 0.00 -0.63 -4.55 120.51 113.18 1a5u n ALA 3987Ca -0.02 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1a5u n ALA 3987Cb 0.68 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.83 1a5u n ALA 3987CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a5u n MET 3988N -2.10 0.74 -2.35 0.00 2.81 -0.90 -4.88 117.12 110.43 1a5u n MET 3988Ca 0.03 0.31 -0.41 0.00 -1.81 0.00 0.00 57.70 55.82 1a5u n MET 3988Cb 0.26 -2.37 0.00 0.00 -0.71 0.00 0.00 33.22 30.40 1a5u n MET 3988CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1a5u n PHE 3989N -2.31 2.66 -0.33 2.03 -0.00 -1.26 -4.88 117.46 113.36 1a5u n PHE 3989Ca 0.14 -2.73 0.09 0.00 -0.00 0.00 0.00 57.45 54.95 1a5u n PHE 3989Cb 0.49 -1.66 0.18 0.00 -0.00 0.00 0.00 39.48 38.49 1a5u n PHE 3989CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1a5u n HIS 3990N 1.91 0.43 0.16 -5.13 8.25 -1.26 -0.80 115.22 118.79 1a5u n HIS 3990Ca 0.48 1.14 -0.14 0.00 -0.26 0.00 0.00 57.72 58.93 1a5u n HIS 3990Cb 0.29 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.22 1a5u n HIS 3990CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1a5u h ARG 3991N 0.00 -0.36 0.10 -0.41 1.12 -1.90 -0.09 114.38 112.85 1a5u h ARG 3991Ca 0.49 0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.40 1a5u h ARG 3991Cb 0.86 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.88 1a5u h ARG 3991CO -0.93 -0.16 -0.15 0.87 -3.11 0.00 0.00 179.97 176.49 1a5u h LYS 3992N -0.48 -0.29 -0.55 0.20 1.79 -1.84 -2.04 116.57 113.36 1a5u h LYS 3992Ca -0.04 0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1a5u h LYS 3992Cb 0.36 0.07 -0.11 0.00 -1.58 0.00 0.00 32.23 30.97 1a5u h LYS 3992CO 0.06 -0.19 -0.17 1.25 -1.08 0.00 0.00 179.45 179.32 1a5u h LEU 3993N -0.30 -0.62 -0.84 2.94 5.85 -0.84 0.15 115.31 121.65 1a5u h LEU 3993Ca 0.02 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1a5u h LEU 3993Cb 0.31 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1a5u h LEU 3993CO -0.08 -0.21 0.42 0.15 -0.34 0.00 0.00 178.44 178.39 1a5u h PHE 3994N -0.04 1.19 -0.47 1.25 3.57 -0.95 1.00 116.94 122.49 1a5u h PHE 3994Ca 0.26 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1a5u h PHE 3994Cb 0.44 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1a5u h PHE 3994CO -0.49 0.85 0.19 0.93 -2.23 0.00 0.00 178.31 177.56 1a5u h GLU 3995N 1.19 0.70 -0.25 1.11 5.08 -0.06 0.26 114.58 122.62 1a5u h GLU 3995Ca 0.29 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1a5u h GLU 3995Cb 0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1a5u h GLU 3995CO -0.04 0.64 0.01 0.93 -1.00 0.00 0.00 179.01 179.55 1a5u h GLU 3996N 0.62 0.43 -0.72 2.33 5.08 -0.64 0.32 114.58 122.00 1a5u h GLU 3996Ca 0.16 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1a5u h GLU 3996Cb 0.20 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1a5u h GLU 3996CO -0.01 0.59 0.35 -0.07 -1.00 0.00 0.00 179.01 178.86 1a5u h LEU 3997N 0.21 0.93 -0.77 1.33 3.38 -0.63 0.15 115.31 119.92 1a5u h LEU 3997Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1a5u h LEU 3997Cb 0.38 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1a5u h LEU 3997CO 0.01 0.79 0.43 0.00 0.09 0.00 0.00 178.44 179.75 1a5u h ALA 3998N 1.36 0.98 -0.62 1.53 0.00 -0.17 -1.41 119.26 120.93 1a5u h ALA 3998Ca 0.25 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1a5u h ALA 3998Cb 0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1a5u h ALA 3998CO -0.03 0.49 0.30 -0.09 0.00 0.00 0.00 179.25 179.92 1a5u h ARG 3999N 1.06 0.53 0.09 0.00 2.43 0.09 -2.65 114.38 115.94 1a5u h ARG 3999Ca 0.27 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1a5u h ARG 3999Cb 0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 1a5u h ARG 3999CO -0.04 0.35 -0.27 0.66 -1.51 0.00 0.00 179.97 179.15 1a5u h SER 4000N 0.55 -0.79 -0.07 -3.80 4.64 0.34 -3.07 113.55 111.34 1a5u h SER 4000Ca 0.29 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1a5u h SER 4000Cb 0.26 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1a5u h SER 4000CO -0.22 -0.36 0.00 -1.54 -0.87 0.00 0.00 176.83 173.84 1a5u n SER 4001N -5.39 0.76 -0.29 4.97 3.41 -0.89 -4.48 113.62 111.72 1a5u n SER 4001Ca -0.06 -1.55 0.28 0.00 -0.26 0.00 0.00 58.87 57.28 1a5u n SER 4001Cb 0.30 -0.05 0.51 0.00 -0.26 0.00 0.00 64.21 64.72 1a5u n SER 4001CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5u n SER 4002N -0.28 0.29 0.23 4.04 2.88 -1.01 0.22 113.62 119.99 1a5u n SER 4002Ca 0.15 1.48 0.06 0.00 -1.33 0.00 0.00 58.87 59.24 1a5u n SER 4002Cb 0.19 -0.71 0.56 0.00 -0.75 0.00 0.00 64.21 63.49 1a5u n SER 4002CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1a5u h HIS 4003N 0.00 0.02 -4.21 0.66 3.86 -1.86 -3.42 115.15 110.20 1a5u h HIS 4003Ca 0.75 -0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 59.47 1a5u h HIS 4003Cb 1.96 -0.01 0.05 0.00 1.06 0.00 0.00 27.41 30.48 1a5u h HIS 4003CO -0.03 0.11 0.38 0.45 0.86 0.00 0.00 177.93 179.70 1a5u s SER 4004N -7.02 6.09 -0.00 2.45 0.15 0.59 -4.94 113.70 111.02 1a5u s SER 4004Ca -0.05 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1a5u s SER 4004Cb 0.16 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1a5u s SER 4004CO 0.69 -0.95 0.65 0.35 1.20 0.00 0.00 173.24 175.17 1a5u n THR 4005N -1.94 0.28 -1.58 6.45 -2.24 -1.26 -5.05 114.28 108.93 1a5u n THR 4005Ca 0.08 -0.28 -0.51 0.00 -2.27 0.00 0.00 64.05 61.07 1a5u n THR 4005Cb 0.53 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 1a5u n THR 4005CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a5u n ASP 4006N -0.14 1.45 0.13 3.42 -0.08 -1.26 -4.82 116.55 115.24 1a5u n ASP 4006Ca 0.00 1.13 -0.13 0.00 -1.51 0.00 0.00 54.79 54.28 1a5u n ASP 4006Cb 0.44 -1.20 -0.06 0.00 2.34 0.00 0.00 41.12 42.64 1a5u n ASP 4006CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a5u h LEU 4007N 3.93 -0.86 -1.81 -2.67 3.38 -1.99 0.22 115.31 115.51 1a5u h LEU 4007Ca -0.45 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1a5u h LEU 4007Cb 1.34 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 1a5u h LEU 4007CO 0.74 -0.40 -0.04 -0.03 0.09 0.00 0.00 178.44 178.80 1a5u h MET 4008N -0.54 0.07 -0.46 1.13 4.05 -1.93 0.17 114.93 117.41 1a5u h MET 4008Ca 0.02 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 1a5u h MET 4008Cb 0.56 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1a5u h MET 4008CO -0.16 0.11 -0.22 0.93 0.23 0.00 0.00 176.91 177.81 1a5u h GLU 4009N 0.07 0.97 -0.22 0.39 5.08 -1.59 0.48 114.58 119.76 1a5u h GLU 4009Ca 0.02 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1a5u h GLU 4009Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1a5u h GLU 4009CO 0.01 1.09 0.09 0.00 -1.00 0.00 0.00 179.01 179.20 1a5u h ALA 4010N 0.85 0.28 -0.14 3.43 0.00 0.96 -0.68 119.26 123.97 1a5u h ALA 4010Ca 0.10 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a5u h ALA 4010Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1a5u h ALA 4010CO 0.07 -0.14 -0.06 0.52 0.00 0.00 0.00 179.25 179.64 1a5u h MET 4011N 0.21 -0.05 -0.81 0.00 2.86 -0.38 -0.02 114.93 116.74 1a5u h MET 4011Ca 0.07 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1a5u h MET 4011Cb 0.16 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1a5u h MET 4011CO -0.01 -0.03 0.46 0.00 1.06 0.00 0.00 176.91 178.39 1a5u h ALA 4012N 1.08 1.14 -0.29 6.32 0.00 0.20 -1.65 119.26 126.06 1a5u h ALA 4012Ca 0.08 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a5u h ALA 4012Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1a5u h ALA 4012CO -0.18 0.10 0.01 0.52 0.00 0.00 0.00 179.25 179.71 1a5u h MET 4013N 0.79 0.51 0.30 0.00 2.86 -0.68 -0.83 114.93 117.88 1a5u h MET 4013Ca 0.38 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1a5u h MET 4013Cb 0.33 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1a5u h MET 4013CO -0.23 0.65 -0.35 0.78 1.06 0.00 0.00 176.91 178.82 1a5u h GLY 4014N 0.31 -0.78 0.77 8.32 0.00 -0.62 0.72 103.07 111.79 1a5u h GLY 4014Ca 0.08 0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.84 1a5u h GLY 4014CO 0.01 -0.28 0.08 1.76 0.00 0.00 0.00 176.54 178.11 1a5u h SER 4015N -0.69 0.09 -0.10 0.19 0.02 -1.28 0.29 113.55 112.06 1a5u h SER 4015Ca -0.01 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1a5u h SER 4015Cb 0.64 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1a5u h SER 4015CO -0.09 0.08 -0.10 0.58 -1.14 0.00 0.00 176.83 176.17 1a5u h VAL 4016N 0.20 0.72 -0.25 2.27 2.07 -0.99 0.74 116.25 121.00 1a5u h VAL 4016Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1a5u h VAL 4016Cb 0.09 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1a5u h VAL 4016CO -0.12 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.28 1a5u h GLU 4017N -0.12 -0.06 -0.45 1.57 4.57 -0.38 0.94 114.58 120.65 1a5u h GLU 4017Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1a5u h GLU 4017Cb 0.23 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1a5u h GLU 4017CO -0.18 -0.04 0.29 0.00 -1.18 0.00 0.00 179.01 177.91 1a5u h ALA 4018N 1.16 0.56 -0.86 2.92 0.00 0.01 -0.47 119.26 122.59 1a5u h ALA 4018Ca 0.13 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1a5u h ALA 4018Cb 0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1a5u h ALA 4018CO -0.30 0.01 0.56 0.66 0.00 0.00 0.00 179.25 180.18 1a5u h SER 4019N 0.60 0.63 -0.10 0.00 4.64 0.13 -1.90 113.55 117.54 1a5u h SER 4019Ca 0.16 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1a5u h SER 4019Cb -0.07 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1a5u h SER 4019CO -0.04 0.33 -0.13 1.88 -0.87 0.00 0.00 176.83 178.01 1a5u h TYR 4020N 0.67 0.33 0.17 4.77 0.05 0.75 -2.45 116.97 121.26 1a5u h TYR 4020Ca 0.42 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 59.11 1a5u h TYR 4020Cb 0.67 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.31 1a5u h TYR 4020CO -0.00 0.71 -0.39 -0.22 -1.05 0.00 0.00 178.16 177.21 1a5u h LYS 4021N -0.15 -0.63 -0.32 4.88 1.63 -0.52 -3.02 116.57 118.44 1a5u h LYS 4021Ca 0.01 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1a5u h LYS 4021Cb 0.67 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1a5u h LYS 4021CO 0.03 -0.42 0.00 0.00 -3.45 0.00 0.00 179.45 175.61 1a5u n LEU 4023N 0.73 -3.07 -4.42 0.00 4.77 -1.02 -4.91 117.00 109.07 1a5u n LEU 4023Ca 0.16 -0.78 -0.35 0.00 -0.03 0.00 0.00 56.01 55.01 1a5u n LEU 4023Cb 0.40 -2.69 0.09 0.00 -2.33 0.00 0.00 43.42 38.89 1a5u n LEU 4023CO 0.12 0.43 -0.08 0.00 -1.33 0.00 0.00 177.39 176.53 1a5u n ALA 4024N -4.38 -2.20 0.19 -1.18 0.00 -0.95 -4.90 120.51 107.09 1a5u n ALA 4024Ca -0.22 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 52.92 1a5u n ALA 4024Cb 0.64 -1.79 0.07 0.00 0.00 0.00 0.00 19.45 18.37 1a5u n ALA 4024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ALA 4025N -0.90 0.63 -1.44 0.00 0.00 -0.52 -3.44 119.26 113.58 1a5u h ALA 4025Ca -0.44 0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.68 1a5u h ALA 4025Cb 1.32 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 1a5u h ALA 4025CO 0.38 0.00 0.78 0.00 0.00 0.00 0.00 179.25 180.41 1a5u s ALA 4026N -3.30 -2.04 -0.18 0.00 0.00 -1.26 -4.04 121.76 110.93 1a5u s ALA 4026Ca 0.02 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 1a5u s ALA 4026Cb 0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1a5u s ALA 4026CO 0.75 -0.46 -0.00 -0.51 0.00 0.00 0.00 175.76 175.54 1a5u s LEU 4027N -1.72 3.35 -0.20 0.00 1.02 0.25 -0.96 118.68 120.41 1a5u s LEU 4027Ca 0.07 -0.13 -0.08 0.00 0.02 0.00 0.00 54.13 54.01 1a5u s LEU 4027Cb -0.01 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.32 1a5u s LEU 4027CO -0.04 0.12 0.08 -0.63 0.02 0.00 0.00 176.35 175.89 1a5u s ILE 4028N 0.69 4.89 -0.05 -0.59 1.01 0.46 0.45 121.20 128.05 1a5u s ILE 4028Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1a5u s ILE 4028Cb -0.14 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1a5u s ILE 4028CO 0.02 0.44 -0.04 -0.69 0.00 0.00 0.00 174.94 174.67 1a5u s VAL 4029N 0.54 0.54 -0.22 2.92 1.01 0.49 0.13 120.40 125.81 1a5u s VAL 4029Ca 0.04 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1a5u s VAL 4029Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1a5u s VAL 4029CO 0.01 0.24 0.39 -0.76 0.00 0.00 0.00 175.10 174.98 1a5u s LEU 4030N 1.18 4.13 -0.11 3.92 1.43 -1.11 0.72 118.68 128.84 1a5u s LEU 4030Ca -0.07 0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 1a5u s LEU 4030Cb -0.14 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.65 1a5u s LEU 4030CO -0.01 -0.10 0.55 0.28 0.23 0.00 0.00 176.35 177.30 1a5u s THR 4031N 1.48 0.01 -0.22 5.49 -1.32 -0.23 -4.84 115.64 116.02 1a5u s THR 4031Ca 0.18 -0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1a5u s THR 4031Cb -0.15 -0.83 -0.19 0.00 -1.51 0.00 0.00 72.50 69.82 1a5u s THR 4031CO 0.08 -0.06 -0.05 -0.62 -2.21 0.00 0.00 174.62 171.76 1a5u n GLU 4032N 1.75 0.67 0.05 7.08 4.71 -1.26 -4.00 120.64 129.65 1a5u n GLU 4032Ca -0.17 0.21 0.09 0.00 -0.01 0.00 0.00 57.16 57.28 1a5u n GLU 4032Cb 0.56 -1.58 -0.07 0.00 -1.01 0.00 0.00 31.44 29.34 1a5u n GLU 4032CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1a5u n SER 4033N -3.49 0.56 0.00 1.62 3.41 -1.26 -4.48 113.62 109.98 1a5u n SER 4033Ca -0.42 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1a5u n SER 4033Cb 0.98 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 1a5u n SER 4033CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a5u n GLY 4034N 1.26 2.12 0.45 5.00 0.00 -1.26 -4.90 105.19 107.86 1a5u n GLY 4034Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1a5u n GLY 4034CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5u h ARG 4035N 3.07 -0.38 -0.66 1.61 3.08 -1.96 0.21 114.38 119.35 1a5u h ARG 4035Ca 0.00 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.20 1a5u h ARG 4035Cb 0.00 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.01 1a5u h ARG 4035CO 0.00 -0.25 -0.27 0.77 -1.07 0.00 0.00 179.97 179.14 1a5u h SER 4036N -0.39 -0.97 -0.51 7.04 0.02 -1.93 0.46 113.55 117.27 1a5u h SER 4036Ca 0.08 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1a5u h SER 4036Cb 0.60 0.53 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1a5u h SER 4036CO -0.60 -0.28 0.13 0.00 -1.14 0.00 0.00 176.83 174.94 1a5u h ALA 4037N 1.31 1.18 -0.85 3.77 0.00 -1.78 -2.43 119.26 120.46 1a5u h ALA 4037Ca 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a5u h ALA 4037Cb 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1a5u h ALA 4037CO -0.72 0.56 0.47 0.45 0.00 0.00 0.00 179.25 180.02 1a5u h HIS 4038N 0.83 1.15 -0.96 0.00 3.86 0.30 0.11 115.15 120.45 1a5u h HIS 4038Ca 0.18 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1a5u h HIS 4038Cb 0.31 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1a5u h HIS 4038CO 0.02 0.80 0.62 0.37 0.86 0.00 0.00 177.93 180.60 1a5u h GLN 4039N 1.18 1.10 -0.01 2.45 5.75 -0.53 0.60 115.11 125.65 1a5u h GLN 4039Ca 0.30 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1a5u h GLN 4039Cb 0.01 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.32 1a5u h GLN 4039CO -0.05 0.72 -0.03 0.28 -2.65 0.00 0.00 178.83 177.10 1a5u h VAL 4040N 1.13 1.53 -0.86 2.39 2.07 -0.92 -3.25 116.25 118.35 1a5u h VAL 4040Ca 0.40 -1.61 0.22 0.00 0.82 0.00 0.00 66.70 66.53 1a5u h VAL 4040Cb 0.14 2.60 -0.13 0.00 -1.52 0.00 0.00 31.29 32.38 1a5u h VAL 4040CO -0.15 0.42 0.24 0.00 0.02 0.00 0.00 177.57 178.11 1a5u h ALA 4041N 0.33 1.24 0.00 1.67 0.00 -0.47 -0.19 119.26 121.84 1a5u h ALA 4041Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a5u h ALA 4041Cb 0.71 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1a5u h ALA 4041CO 0.01 -0.43 0.00 0.07 0.00 0.00 0.00 179.25 178.90 1a5u h ARG 4042N 0.24 0.00 -0.32 0.00 0.11 -0.92 -2.63 114.38 110.85 1a5u h ARG 4042Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1a5u h ARG 4042Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 1a5u h ARG 4042CO -0.62 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.11 1a5u n TYR 4043N -2.99 0.43 -3.38 4.08 4.02 -0.08 -4.97 117.16 114.26 1a5u n TYR 4043Ca -0.02 -0.21 -0.17 0.00 -0.01 0.00 0.00 57.90 57.48 1a5u n TYR 4043Cb 0.12 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.51 1a5u n TYR 4043CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1a5u n ARG 4044N 0.71 -4.01 -1.05 -0.72 5.12 -0.99 -4.72 116.66 110.99 1a5u n ARG 4044Ca 0.16 0.82 -0.30 0.00 -1.93 0.00 0.00 57.85 56.60 1a5u n ARG 4044Cb 0.39 -5.69 0.16 0.00 -1.16 0.00 0.00 32.46 26.16 1a5u n ARG 4044CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5u s PRO 4045N -4.98 0.89 -0.02 5.56 0.04 -1.26 -4.94 135.00 130.29 1a5u s PRO 4045Ca 0.25 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.28 1a5u s PRO 4045Cb -0.04 -1.76 -0.23 0.00 0.04 0.00 0.00 34.50 32.51 1a5u s PRO 4045CO 0.75 -2.51 0.76 -0.09 0.04 0.00 0.00 177.00 175.94 1a5u h ARG 4046N -1.75 0.04 -6.54 4.56 2.43 -1.94 -3.47 114.38 107.71 1a5u h ARG 4046Ca -0.51 -0.06 -0.52 0.00 -0.81 0.00 0.00 59.98 58.08 1a5u h ARG 4046Cb 1.29 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1a5u h ARG 4046CO 0.53 0.67 0.11 0.00 -1.51 0.00 0.00 179.97 179.77 1a5u s ALA 4047N -2.61 3.43 0.59 2.80 0.00 -1.26 -5.03 121.76 119.67 1a5u s ALA 4047Ca -0.05 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 1a5u s ALA 4047Cb 0.08 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1a5u s ALA 4047CO 0.82 0.33 1.07 -2.30 0.00 0.00 0.00 175.76 175.68 1a5u n PRO 4048N 0.91 1.07 -3.74 0.00 -0.01 -1.26 -4.50 135.00 127.48 1a5u n PRO 4048Ca -0.03 0.41 -0.38 0.00 -0.01 0.00 0.00 63.50 63.49 1a5u n PRO 4048Cb 0.51 -2.27 -0.12 0.00 -0.01 0.00 0.00 33.50 31.60 1a5u n PRO 4048CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 1a5u s ILE 4049N -1.45 4.05 -0.51 4.25 1.01 0.19 0.85 121.20 129.60 1a5u s ILE 4049Ca 0.75 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 1a5u s ILE 4049Cb -0.42 -3.12 0.11 0.00 0.01 0.00 0.00 42.46 39.04 1a5u s ILE 4049CO 0.47 0.04 0.45 -0.63 0.00 0.00 0.00 174.94 175.27 1a5u s ILE 4050N 1.51 5.19 -0.26 2.92 1.01 0.17 0.11 121.20 131.85 1a5u s ILE 4050Ca 0.02 -1.33 -0.13 0.00 0.00 0.00 0.00 60.65 59.21 1a5u s ILE 4050Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1a5u s ILE 4050CO 0.03 -0.75 0.28 0.00 0.00 0.00 0.00 174.94 174.50 1a5u s ALA 4051N 1.61 3.56 -0.23 9.38 0.00 0.67 -0.38 121.76 136.36 1a5u s ALA 4051Ca 0.03 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 1a5u s ALA 4051Cb -0.28 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1a5u s ALA 4051CO 0.04 -0.48 0.15 0.08 0.00 0.00 0.00 175.76 175.56 1a5u s VAL 4052N 1.66 5.32 0.04 0.00 1.01 0.22 0.12 120.40 128.77 1a5u s VAL 4052Ca 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1a5u s VAL 4052Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1a5u s VAL 4052CO 0.09 0.36 -0.03 0.28 0.00 0.00 0.00 175.10 175.79 1a5u s THR 4053N 0.99 0.19 -1.07 3.92 -1.32 1.00 -1.06 115.64 118.29 1a5u s THR 4053Ca 0.07 -1.57 0.20 0.00 -1.21 0.00 0.00 61.69 59.19 1a5u s THR 4053Cb -0.13 -1.18 -0.19 0.00 -1.51 0.00 0.00 72.50 69.49 1a5u s THR 4053CO 0.04 -0.86 0.87 0.54 -2.21 0.00 0.00 174.62 173.00 1a5u n ARG 4054N 0.51 0.53 -3.07 7.08 1.74 -1.26 -0.69 116.66 121.50 1a5u n ARG 4054Ca -0.17 -0.12 -0.44 0.00 -0.77 0.00 0.00 57.85 56.35 1a5u n ARG 4054Cb 0.59 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.54 1a5u n ARG 4054CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 4055N -2.81 6.23 0.17 0.55 3.84 -1.26 -4.86 114.94 116.79 1a5u s ASN 4055Ca 0.09 -0.95 -0.16 0.00 0.21 0.00 0.00 52.86 52.05 1a5u s ASN 4055Cb 0.15 -2.33 0.13 0.00 -0.55 0.00 0.00 41.25 38.66 1a5u s ASN 4055CO 0.78 -1.04 1.67 0.45 -2.79 0.00 0.00 177.10 176.18 1a5u h HIS 4056N 9.14 -0.14 -0.23 0.43 3.86 -1.93 -0.44 115.15 125.84 1a5u h HIS 4056Ca -0.28 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1a5u h HIS 4056Cb 1.09 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.66 1a5u h HIS 4056CO 0.81 -0.15 0.06 0.37 0.86 0.00 0.00 177.93 179.88 1a5u h GLN 4057N 0.05 0.15 -0.75 2.45 4.15 -1.96 0.14 115.11 119.33 1a5u h GLN 4057Ca 0.21 -0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.78 1a5u h GLN 4057Cb 0.32 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.88 1a5u h GLN 4057CO -0.41 0.10 0.25 1.15 -1.93 0.00 0.00 178.83 177.98 1a5u h THR 4058N 0.16 0.58 -0.51 2.39 2.02 -1.72 0.25 112.91 116.08 1a5u h THR 4058Ca 0.10 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1a5u h THR 4058Cb 0.09 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1a5u h THR 4058CO -0.13 0.06 0.25 0.00 0.37 0.00 0.00 175.52 176.07 1a5u h ALA 4059N 1.58 0.66 -0.16 6.16 0.00 0.31 -2.58 119.26 125.23 1a5u h ALA 4059Ca 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1a5u h ALA 4059Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a5u h ALA 4059CO -0.46 0.23 -0.02 0.00 0.00 0.00 0.00 179.25 178.99 1a5u h ARG 4060N 0.68 0.30 0.00 0.00 3.08 0.14 -3.14 114.38 115.44 1a5u h ARG 4060Ca 0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1a5u h ARG 4060Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1a5u h ARG 4060CO -0.02 0.55 0.00 1.96 -1.07 0.00 0.00 179.97 181.39 1a5u h GLN 4061N 0.01 0.00 0.00 0.04 4.20 -0.61 -2.93 115.11 115.83 1a5u h GLN 4061Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1a5u h GLN 4061Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1a5u h GLN 4061CO 0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1a5u h ALA 4062N 2.14 1.00 0.00 3.87 0.00 -1.40 -2.48 119.26 122.39 1a5u h ALA 4062Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 4062Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a5u h ALA 4062CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.70 1a5u h HIS 4063N 0.00 0.00 0.00 0.00 3.86 -1.71 -2.31 115.15 115.00 1a5u h HIS 4063Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1a5u h HIS 4063Cb 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1a5u h HIS 4063CO 0.00 0.00 -0.09 -0.07 0.86 0.00 0.00 177.93 178.63 1a5u h LEU 4064N 0.00 0.00 -9.23 2.43 3.38 -1.71 -3.40 115.31 106.78 1a5u h LEU 4064Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1a5u h LEU 4064Cb 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 1a5u h LEU 4064CO 0.00 0.09 -0.40 -0.31 0.09 0.00 0.00 178.44 177.91 1a5u s TYR 4065N -3.41 3.40 0.39 1.13 1.51 -0.87 -4.52 117.35 114.98 1a5u s TYR 4065Ca 0.04 0.44 -0.26 0.00 -1.01 0.00 0.00 57.07 56.27 1a5u s TYR 4065Cb 0.07 -2.29 -0.11 0.00 -0.11 0.00 0.00 41.96 39.53 1a5u s TYR 4065CO 0.63 0.19 1.18 -2.13 -1.11 0.00 0.00 175.55 174.31 1a5u n ARG 4066N 3.81 1.76 -1.72 -0.62 3.00 -1.26 -2.98 116.66 118.66 1a5u n ARG 4066Ca -0.13 0.63 -0.19 0.00 -0.00 0.00 0.00 57.85 58.15 1a5u n ARG 4066Cb 0.52 -2.23 -0.07 0.00 0.00 0.00 0.00 32.46 30.68 1a5u n ARG 4066CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 4067N 0.94 1.40 3.56 5.14 0.00 0.92 -4.70 105.19 112.45 1a5u n GLY 4067Ca 0.07 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1a5u n GLY 4067CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 4068N -2.76 4.97 -0.45 -0.61 1.01 -1.16 -0.63 121.20 121.57 1a5u s ILE 4068Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1a5u s ILE 4068Cb 0.00 -3.34 0.11 0.00 0.01 0.00 0.00 42.46 39.24 1a5u s ILE 4068CO 0.00 0.31 0.30 -0.36 0.00 0.00 0.00 174.94 175.19 1a5u s PHE 4069N 1.47 3.43 0.21 3.97 0.40 0.30 -4.72 117.98 123.04 1a5u s PHE 4069Ca 0.06 -1.89 -0.30 0.00 -0.60 0.00 0.00 56.93 54.21 1a5u s PHE 4069Cb -0.15 -3.30 -0.09 0.00 0.51 0.00 0.00 43.02 39.99 1a5u s PHE 4069CO 0.07 -0.95 1.24 -1.25 0.70 0.00 0.00 175.22 175.03 1a5u s PRO 4070N 1.34 4.45 -0.07 0.24 0.04 -1.26 -0.24 135.00 139.50 1a5u s PRO 4070Ca 0.05 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1a5u s PRO 4070Cb -0.25 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1a5u s PRO 4070CO -0.01 -0.14 0.00 0.08 0.04 0.00 0.00 177.00 176.98 1a5u s VAL 4071N -0.18 0.34 -0.15 -0.36 1.01 0.32 -4.75 120.40 116.63 1a5u s VAL 4071Ca 0.53 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 1a5u s VAL 4071Cb -0.35 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1a5u s VAL 4071CO 0.39 0.25 0.69 -0.69 0.00 0.00 0.00 175.10 175.74 1a5u s VAL 4072N 1.89 5.00 -0.37 2.92 1.01 -1.26 -0.00 120.40 129.59 1a5u s VAL 4072Ca 0.03 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.22 1a5u s VAL 4072Cb -0.12 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1a5u s VAL 4072CO -0.05 0.13 0.32 0.00 0.00 0.00 0.00 175.10 175.51 1a5u n LYS 4074N 5.29 2.09 -2.33 0.00 5.02 -1.26 -4.59 118.16 122.37 1a5u n LYS 4074Ca -0.10 -1.59 -0.40 0.00 -2.02 0.00 0.00 58.31 54.20 1a5u n LYS 4074Cb 0.49 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1a5u n LYS 4074CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 4075N -1.89 6.89 0.87 4.39 1.01 -1.26 -5.02 116.67 121.65 1a5u s ASP 4075Ca 0.33 2.39 -0.10 0.00 0.71 0.00 0.00 52.55 55.87 1a5u s ASP 4075Cb 0.20 -2.63 0.12 0.00 1.01 0.00 0.00 42.92 41.62 1a5u s ASP 4075CO 0.31 -0.42 1.13 -2.16 0.21 0.00 0.00 175.17 174.23 1a5u s PRO 4076N -1.85 1.42 -0.28 8.23 0.04 -1.26 -4.91 135.00 136.38 1a5u s PRO 4076Ca 0.50 1.40 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1a5u s PRO 4076Cb -0.33 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1a5u s PRO 4076CO 0.43 -2.30 1.03 0.08 0.04 0.00 0.00 177.00 176.27 1a5u s VAL 4077N -2.74 4.61 0.21 -0.36 1.01 -1.26 -5.02 120.40 116.85 1a5u s VAL 4077Ca 0.65 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 64.11 1a5u s VAL 4077Cb -0.21 -4.34 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1a5u s VAL 4077CO 0.57 -0.34 1.24 -1.10 0.00 0.00 0.00 175.10 175.48 1a5u s GLN 4078N 3.40 4.45 0.54 2.72 -1.52 -1.26 -4.92 119.66 123.07 1a5u s GLN 4078Ca 0.43 1.97 0.36 0.00 -1.95 0.00 0.00 55.36 56.17 1a5u s GLN 4078Cb -0.13 -3.21 1.54 0.00 -0.22 0.00 0.00 33.01 30.99 1a5u s GLN 4078CO 0.12 -0.14 1.82 1.05 -0.25 0.00 0.00 175.29 177.88 1a5u h GLU 4079N 5.07 0.00 -4.51 2.91 -0.00 -1.99 -3.37 114.58 112.69 1a5u h GLU 4079Ca -0.45 0.00 -0.71 0.00 -0.00 0.00 0.00 59.36 58.20 1a5u h GLU 4079Cb 1.21 0.00 -0.30 0.00 -0.00 0.00 0.00 28.75 29.66 1a5u h GLU 4079CO 0.74 0.00 -0.52 0.00 -0.00 0.00 0.00 179.01 179.23 1a5u s ALA 4080N -4.95 3.18 0.06 1.06 0.00 -1.26 -5.01 121.76 114.84 1a5u s ALA 4080Ca -0.05 -2.20 -0.08 0.00 0.00 0.00 0.00 51.96 49.63 1a5u s ALA 4080Cb 0.23 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.87 1a5u s ALA 4080CO 0.80 -1.64 0.48 1.87 0.00 0.00 0.00 175.76 177.27 1a5u n TRP 4081N 4.79 -0.09 0.01 0.00 -0.00 -1.26 0.29 117.44 121.17 1a5u n TRP 4081Ca -0.08 0.38 -0.14 0.00 -0.00 0.00 0.00 57.50 57.66 1a5u n TRP 4081Cb 0.43 -0.55 -0.09 0.00 -0.00 0.00 0.00 31.31 31.10 1a5u n TRP 4081CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1a5u h ALA 4082N 0.23 -0.80 -0.96 5.87 0.00 -1.94 2.67 119.26 124.33 1a5u h ALA 4082Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1a5u h ALA 4082Cb 0.14 0.93 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1a5u h ALA 4082CO -0.29 -1.04 0.61 0.93 0.00 0.00 0.00 179.25 179.46 1a5u h GLU 4083N -0.57 0.91 0.15 0.00 5.08 -0.55 0.99 114.58 120.59 1a5u h GLU 4083Ca 0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1a5u h GLU 4083Cb 0.68 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a5u h GLU 4083CO -0.41 0.60 -0.07 0.22 -1.00 0.00 0.00 179.01 178.35 1a5u h ASP 4084N 0.93 -0.16 -0.94 1.42 3.58 0.35 0.25 116.42 121.85 1a5u h ASP 4084Ca 0.46 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 1a5u h ASP 4084Cb 0.48 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.53 1a5u h ASP 4084CO -0.23 0.04 0.56 0.58 -2.88 0.00 0.00 179.24 177.32 1a5u h VAL 4085N -0.37 1.26 0.00 2.25 2.07 0.57 -2.00 116.25 120.03 1a5u h VAL 4085Ca -0.02 -0.57 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1a5u h VAL 4085Cb 0.29 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1a5u h VAL 4085CO 0.03 0.27 -0.45 0.44 0.02 0.00 0.00 177.57 177.88 1a5u h ASP 4086N 1.30 0.00 -0.50 0.57 3.32 0.12 0.18 116.42 121.41 1a5u h ASP 4086Ca 0.34 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1a5u h ASP 4086Cb -0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1a5u h ASP 4086CO -0.06 0.45 0.05 0.25 -1.72 0.00 0.00 179.24 178.21 1a5u h LEU 4087N 0.00 0.83 0.03 1.55 5.85 0.05 -0.62 115.31 123.00 1a5u h LEU 4087Ca -0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1a5u h LEU 4087Cb 0.83 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1a5u h LEU 4087CO 0.06 0.90 -0.01 0.03 -0.34 0.00 0.00 178.44 179.08 1a5u h ARG 4088N 0.73 -0.04 -0.77 1.25 3.08 -0.79 -2.60 114.38 115.24 1a5u h ARG 4088Ca 0.15 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.30 1a5u h ARG 4088Cb 0.45 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1a5u h ARG 4088CO 0.02 0.33 0.41 0.28 -1.07 0.00 0.00 179.97 179.94 1a5u h VAL 4089N -0.41 0.85 -0.98 2.04 2.07 -0.62 -1.95 116.25 117.25 1a5u h VAL 4089Ca -0.00 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.37 1a5u h VAL 4089Cb 0.38 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1a5u h VAL 4089CO 0.01 0.12 0.62 0.78 0.02 0.00 0.00 177.57 179.12 1a5u h ASN 4090N 0.67 0.95 -0.60 0.57 2.35 -0.99 -0.95 115.58 117.58 1a5u h ASN 4090Ca 0.38 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 1a5u h ASN 4090Cb 0.40 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1a5u h ASN 4090CO -0.27 0.57 0.36 0.25 -1.65 0.00 0.00 177.43 176.68 1a5u h LEU 4091N 1.06 0.73 -0.47 1.61 5.85 -0.96 -0.58 115.31 122.55 1a5u h LEU 4091Ca 0.45 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.17 1a5u h LEU 4091Cb 0.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1a5u h LEU 4091CO -0.21 0.58 0.15 0.00 -0.34 0.00 0.00 178.44 178.62 1a5u h ALA 4092N 1.18 0.56 -0.21 1.25 0.00 -0.98 0.31 119.26 121.37 1a5u h ALA 4092Ca 0.22 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1a5u h ALA 4092Cb -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1a5u h ALA 4092CO -0.04 -0.24 -0.13 1.98 0.00 0.00 0.00 179.25 180.82 1a5u h MET 4093N 0.32 -0.12 -0.29 0.00 4.05 -0.60 0.22 114.93 118.50 1a5u h MET 4093Ca 0.23 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 1a5u h MET 4093Cb 0.25 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1a5u h MET 4093CO -0.25 -0.08 0.04 -0.91 0.23 0.00 0.00 176.91 175.94 1a5u h ASN 4094N -0.12 0.48 0.06 1.39 4.21 -0.08 0.31 115.58 121.83 1a5u h ASN 4094Ca 0.12 -0.27 0.01 0.00 1.21 0.00 0.00 56.30 57.37 1a5u h ASN 4094Cb 0.30 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 1a5u h ASN 4094CO -0.28 0.63 -0.13 0.58 -1.29 0.00 0.00 177.43 176.93 1a5u h VAL 4095N 0.31 0.69 -0.91 2.81 2.07 -0.22 0.44 116.25 121.43 1a5u h VAL 4095Ca 0.09 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 1a5u h VAL 4095Cb 0.36 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 1a5u h VAL 4095CO 0.01 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.36 1a5u h GLY 4096N -0.25 1.49 0.91 2.17 0.00 -0.27 0.70 103.07 107.81 1a5u h GLY 4096Ca 0.03 -0.34 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1a5u h GLY 4096CO -0.08 0.08 -0.60 0.50 0.00 0.00 0.00 176.54 176.43 1a5u h LYS 4097N 0.82 0.54 -0.44 4.80 1.57 -0.44 0.19 116.57 123.61 1a5u h LYS 4097Ca 0.47 -0.48 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1a5u h LYS 4097Cb 0.54 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1a5u h LYS 4097CO -0.30 1.11 0.05 0.00 -0.57 0.00 0.00 179.45 179.74 1a5u h ALA 4098N 0.44 0.45 0.00 3.86 0.00 0.22 -1.04 119.26 123.18 1a5u h ALA 4098Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1a5u h ALA 4098Cb 1.26 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1a5u h ALA 4098CO 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.02 1a5u h ARG 4099N 0.17 0.00 0.00 0.00 3.08 0.22 -3.47 114.38 114.37 1a5u h ARG 4099Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1a5u h ARG 4099Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1a5u h ARG 4099CO -0.32 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.99 1a5u n GLY 4100N 0.15 0.46 0.07 0.04 0.00 -0.40 -4.95 105.19 100.56 1a5u n GLY 4100Ca 0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 1a5u n GLY 4100CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 4101N 0.00 0.00 -2.99 1.61 0.04 -0.87 -3.45 116.94 111.29 1a5u h PHE 4101Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1a5u h PHE 4101Cb 0.74 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.80 1a5u h PHE 4101CO 0.00 0.97 0.22 -0.59 -0.60 0.00 0.00 178.31 178.31 1a5u s PHE 4102N -2.71 -0.37 0.44 -0.55 -0.12 -1.11 -4.88 117.98 108.68 1a5u s PHE 4102Ca 0.00 0.05 0.06 0.00 -0.05 0.00 0.00 56.93 56.99 1a5u s PHE 4102Cb 0.10 0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 43.06 1a5u s PHE 4102CO 0.82 -1.03 0.10 0.15 -0.05 0.00 0.00 175.22 175.20 1a5u s LYS 4103N -3.82 2.11 0.32 1.99 1.02 -1.26 -4.05 119.74 116.06 1a5u s LYS 4103Ca 0.06 -2.06 -0.29 0.00 0.02 0.00 0.00 55.97 53.70 1a5u s LYS 4103Cb -0.03 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 1a5u s LYS 4103CO -0.04 -0.16 1.37 0.21 -0.92 0.00 0.00 175.35 175.82 1a5u s LYS 4104N -3.85 4.28 0.00 1.68 2.20 -1.26 -1.09 119.74 121.71 1a5u s LYS 4104Ca 0.32 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1a5u s LYS 4104Cb 0.06 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1a5u s LYS 4104CO 0.17 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1a5u n GLY 4105N 1.06 3.24 3.52 5.54 0.00 0.82 -4.93 105.19 114.44 1a5u n GLY 4105Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1a5u n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5u s ASP 4106N -0.03 0.83 -0.03 1.61 1.01 -0.25 -4.57 116.67 115.23 1a5u s ASP 4106Ca 0.00 0.99 0.06 0.00 0.71 0.00 0.00 52.55 54.32 1a5u s ASP 4106Cb 0.00 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.43 1a5u s ASP 4106CO 0.00 -4.22 -0.23 0.68 0.21 0.00 0.00 175.17 171.61 1a5u s VAL 4107N -2.71 1.83 0.12 -1.27 -7.23 -1.26 -0.78 120.40 109.10 1a5u s VAL 4107Ca 0.69 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 1a5u s VAL 4107Cb -0.16 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1a5u s VAL 4107CO 0.59 0.52 -0.08 0.68 -0.31 0.00 0.00 175.10 176.49 1a5u s VAL 4108N -0.33 0.91 -0.16 1.32 -7.23 0.98 0.28 120.40 116.18 1a5u s VAL 4108Ca 0.03 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1a5u s VAL 4108Cb -0.11 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1a5u s VAL 4108CO 0.01 -0.81 0.12 -0.63 -0.31 0.00 0.00 175.10 173.48 1a5u s ILE 4109N -3.45 5.32 -0.22 -0.62 -1.09 -0.14 -0.64 121.20 120.36 1a5u s ILE 4109Ca 0.14 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1a5u s ILE 4109Cb 0.04 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1a5u s ILE 4109CO -0.02 0.52 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.38 1a5u s VAL 4110N -0.24 2.26 -0.23 2.92 1.01 0.36 0.17 120.40 126.66 1a5u s VAL 4110Ca 0.10 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1a5u s VAL 4110Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1a5u s VAL 4110CO 0.01 0.28 0.10 -0.76 0.00 0.00 0.00 175.10 174.72 1a5u s LEU 4111N 1.23 3.72 0.00 3.92 1.43 0.34 -1.46 118.68 127.87 1a5u s LEU 4111Ca -0.01 -0.05 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1a5u s LEU 4111Cb -0.16 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1a5u s LEU 4111CO -0.09 0.04 0.24 0.35 0.23 0.00 0.00 176.35 177.12 1a5u n THR 4112N 4.43 0.00 -4.48 5.49 -2.24 0.50 -2.75 114.28 115.23 1a5u n THR 4112Ca -0.16 -2.17 -0.34 0.00 -2.27 0.00 0.00 64.05 59.11 1a5u n THR 4112Cb 0.52 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 1a5u n THR 4112CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a5u s GLY 4113N -3.11 1.73 0.10 3.38 0.00 -1.26 0.11 107.32 108.27 1a5u s GLY 4113Ca 0.33 -0.84 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 1a5u s GLY 4113CO 0.24 -0.37 1.65 -0.25 0.00 0.00 0.00 173.10 174.37 1a5u h TRP 4114N 5.92 -0.62 -2.43 1.90 -0.00 -1.91 -3.45 115.95 115.36 1a5u h TRP 4114Ca -0.41 0.00 -0.53 0.00 -0.00 0.00 0.00 58.89 57.96 1a5u h TRP 4114Cb 1.19 0.24 -0.14 0.00 -0.00 0.00 0.00 29.16 30.45 1a5u h TRP 4114CO 0.56 -0.35 -0.61 1.03 -0.00 0.00 0.00 178.44 179.08 1a5u s ARG 4115N -6.08 1.75 0.48 2.65 0.52 -1.26 -5.01 118.95 112.00 1a5u s ARG 4115Ca -0.16 -1.97 -0.23 0.00 -0.52 0.00 0.00 55.73 52.85 1a5u s ARG 4115Cb 0.07 -1.15 -0.07 0.00 0.52 0.00 0.00 34.95 34.32 1a5u s ARG 4115CO 0.65 -0.13 1.25 -1.25 0.02 0.00 0.00 175.30 175.84 1a5u s PRO 4116N -3.82 3.60 -1.35 3.54 0.05 -1.26 -2.27 135.00 133.49 1a5u s PRO 4116Ca 0.36 1.98 -0.05 0.00 0.05 0.00 0.00 61.00 63.34 1a5u s PRO 4116Cb 0.09 -2.42 0.02 0.00 0.05 0.00 0.00 34.50 32.24 1a5u s PRO 4116CO 0.16 -0.74 0.92 0.41 0.05 0.00 0.00 177.00 177.80 1a5u n GLY 4117N 0.57 -0.40 0.20 0.56 0.00 -1.26 -4.85 105.19 100.02 1a5u n GLY 4117Ca 0.08 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1a5u n GLY 4117CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5u h SER 4118N -2.08 0.00 0.00 1.61 0.02 -1.84 -3.47 113.55 107.79 1a5u h SER 4118Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1a5u h SER 4118Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1a5u h SER 4118CO 0.58 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 1a5u n GLY 4119N 0.61 2.93 3.65 -3.77 0.00 -1.26 -4.98 105.19 102.36 1a5u n GLY 4119Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1a5u n GLY 4119CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 4120N -2.77 -0.05 -0.92 1.61 -0.71 -1.26 -5.02 117.98 108.85 1a5u s PHE 4120Ca 0.00 -0.08 -0.24 0.00 -1.04 0.00 0.00 56.93 55.57 1a5u s PHE 4120Cb 0.00 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1a5u s PHE 4120CO 0.00 -0.37 1.48 0.95 -1.34 0.00 0.00 175.22 175.95 1a5u s THR 4121N -2.55 3.80 -1.50 -4.49 -4.23 -1.26 -4.38 115.64 101.03 1a5u s THR 4121Ca 0.14 -0.40 0.26 0.00 -1.18 0.00 0.00 61.69 60.52 1a5u s THR 4121Cb 0.04 -4.86 0.21 0.00 1.34 0.00 0.00 72.50 69.22 1a5u s THR 4121CO -0.03 -1.77 1.56 -0.46 -0.54 0.00 0.00 174.62 173.38 1a5u n ASN 4122N 9.72 0.78 -4.26 3.99 0.23 0.10 -4.67 115.26 121.16 1a5u n ASN 4122Ca 0.26 -0.63 -0.35 0.00 -0.53 0.00 0.00 54.58 53.34 1a5u n ASN 4122Cb 0.50 0.13 -0.14 0.00 -2.08 0.00 0.00 39.78 38.19 1a5u n ASN 4122CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a5u s THR 4123N -2.66 3.06 -0.14 5.53 2.01 0.29 -4.91 115.64 118.82 1a5u s THR 4123Ca 0.21 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.53 1a5u s THR 4123Cb 0.19 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 1a5u s THR 4123CO 0.57 0.40 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.44 1a5u s MET 4124N 1.42 3.30 0.00 4.92 1.75 -1.26 0.19 119.30 129.62 1a5u s MET 4124Ca 0.05 -0.72 0.01 0.00 -1.25 0.00 0.00 55.69 53.78 1a5u s MET 4124Cb -0.14 -2.64 -0.01 0.00 2.84 0.00 0.00 34.83 34.88 1a5u s MET 4124CO -0.05 0.11 -0.02 1.03 -0.65 0.00 0.00 175.02 175.43 1a5u s ARG 4125N 0.61 0.18 -0.15 4.11 0.52 -0.53 -4.98 118.95 118.71 1a5u s ARG 4125Ca -0.08 -0.18 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1a5u s ARG 4125Cb -0.16 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 1a5u s ARG 4125CO 0.03 0.02 0.67 0.08 0.02 0.00 0.00 175.30 176.12 1a5u s VAL 4126N -0.33 5.02 0.03 3.52 1.01 -1.26 -0.49 120.40 127.91 1a5u s VAL 4126Ca -0.02 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 1a5u s VAL 4126Cb -0.03 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1a5u s VAL 4126CO -0.00 0.15 0.06 0.68 0.00 0.00 0.00 175.10 175.99 1a5u s VAL 4127N 1.56 0.13 0.09 2.92 -7.23 0.18 -4.99 120.40 113.07 1a5u s VAL 4127Ca 0.32 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 1a5u s VAL 4127Cb -0.16 -0.77 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 1a5u s VAL 4127CO 0.13 -0.60 0.43 -2.16 -0.31 0.00 0.00 175.10 172.59 1a5u s PRO 4128N -2.35 3.81 -0.40 4.82 0.05 -1.26 -0.01 135.00 139.66 1a5u s PRO 4128Ca -0.07 0.24 -0.27 0.00 0.05 0.00 0.00 61.00 60.95 1a5u s PRO 4128Cb -0.03 -2.99 0.02 0.00 0.05 0.00 0.00 34.50 31.55 1a5u s PRO 4128CO -0.04 0.55 1.02 0.08 0.05 0.00 0.00 177.00 178.66 1a5u s VAL 4129N -1.40 4.45 -0.25 -0.36 1.01 0.04 -4.90 120.40 119.00 1a5u s VAL 4129Ca 0.33 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1a5u s VAL 4129Cb -0.14 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1a5u s VAL 4129CO 0.18 -0.68 0.06 -2.65 0.00 0.00 0.00 175.10 172.01