#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a49 s GLN 3613N 0.00 2.26 0.76 0.38 -0.21 -1.26 -4.89 119.66 116.71 1a49 s GLN 3613Ca 0.00 1.60 -0.04 0.00 0.02 0.00 0.00 55.36 56.94 1a49 s GLN 3613Cb 0.00 -1.86 0.13 0.00 1.00 0.00 0.00 33.01 32.28 1a49 s GLN 3613CO 0.00 -1.71 1.05 0.95 -2.12 0.00 0.00 175.29 173.46 1a49 s THR 3614N -2.19 2.14 -1.13 -0.19 -4.23 -1.26 -4.20 115.64 104.59 1a49 s THR 3614Ca 0.71 -0.45 -0.08 0.00 -1.18 0.00 0.00 61.69 60.69 1a49 s THR 3614Cb -0.25 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 70.96 1a49 s THR 3614CO 0.45 0.00 0.36 1.67 -0.54 0.00 0.00 174.62 176.56 1a49 n GLN 3615N -3.01 -2.96 -2.36 3.99 7.27 0.22 -1.47 117.38 119.07 1a49 n GLN 3615Ca 0.14 0.41 -0.12 0.00 0.07 0.00 0.00 57.00 57.50 1a49 n GLN 3615Cb 0.60 -5.06 -0.01 0.00 2.41 0.00 0.00 30.24 28.18 1a49 n GLN 3615CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a49 n GLN 3616N -3.45 -2.19 0.13 3.69 1.13 -1.26 -4.80 117.38 110.62 1a49 n GLN 3616Ca -0.02 0.57 0.05 0.00 -1.94 0.00 0.00 57.00 55.65 1a49 n GLN 3616Cb 0.54 -5.13 0.48 0.00 0.11 0.00 0.00 30.24 26.24 1a49 n GLN 3616CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a49 h LEU 3617N 0.00 0.23 -0.58 1.08 3.38 -1.54 0.12 115.31 118.00 1a49 h LEU 3617Ca -0.27 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1a49 h LEU 3617Cb 1.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1a49 h LEU 3617CO 0.33 0.24 0.04 -0.74 0.09 0.00 0.00 178.44 178.39 1a49 h HIS 3618N 0.26 1.08 0.00 1.13 2.76 -1.87 -0.92 115.15 117.59 1a49 h HIS 3618Ca 0.06 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.05 1a49 h HIS 3618Cb 0.11 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1a49 h HIS 3618CO 0.00 0.96 -0.07 0.00 -1.30 0.00 0.00 177.93 177.51 1a49 h ALA 3619N 0.98 1.02 0.00 5.26 0.00 -1.45 -1.50 119.26 123.57 1a49 h ALA 3619Ca 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1a49 h ALA 3619Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a49 h ALA 3619CO 0.02 0.09 -0.11 0.00 0.00 0.00 0.00 179.25 179.26 1a49 h ALA 3620N 1.93 1.08 -0.12 0.00 0.00 0.58 -0.87 119.26 121.85 1a49 h ALA 3620Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a49 h ALA 3620Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a49 h ALA 3620CO 0.01 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.06 1a49 n MET 3621N -3.34 1.55 -1.94 0.00 2.81 -0.57 -4.75 117.12 110.89 1a49 n MET 3621Ca -0.01 -0.83 -0.36 0.00 -1.81 0.00 0.00 57.70 54.70 1a49 n MET 3621Cb 0.31 -1.37 0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1a49 n MET 3621CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a49 s ALA 3622N -1.85 2.51 -0.02 3.04 0.00 -0.33 -4.96 121.76 120.16 1a49 s ALA 3622Ca 0.31 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 1a49 s ALA 3622Cb 0.16 -3.48 -0.29 0.00 0.00 0.00 0.00 23.12 19.52 1a49 s ALA 3622CO 0.25 -1.27 0.78 0.38 0.00 0.00 0.00 175.76 175.91 1a49 h ASP 3623N 0.83 0.46 -3.13 0.00 2.03 -1.92 -3.47 116.42 111.22 1a49 h ASP 3623Ca -0.51 -0.67 -0.56 0.00 -0.73 0.00 0.00 57.03 54.57 1a49 h ASP 3623Cb 1.31 -0.15 -0.17 0.00 -0.83 0.00 0.00 39.33 39.49 1a49 h ASP 3623CO 0.55 1.56 -0.78 -0.89 -1.03 0.00 0.00 179.24 178.65 1a49 s THR 3624N -2.60 2.07 0.22 1.15 2.01 -1.26 -5.02 115.64 112.21 1a49 s THR 3624Ca -0.11 -2.09 -0.07 0.00 0.31 0.00 0.00 61.69 59.72 1a49 s THR 3624Cb 0.06 -2.03 0.17 0.00 0.01 0.00 0.00 72.50 70.71 1a49 s THR 3624CO 0.85 -0.33 1.81 0.15 -0.69 0.00 0.00 174.62 176.42 1a49 h PHE 3625N 2.93 0.75 -0.09 4.92 3.57 -2.00 0.32 116.94 127.35 1a49 h PHE 3625Ca -0.42 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 1a49 h PHE 3625Cb 1.22 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1a49 h PHE 3625CO 0.71 0.34 0.04 1.25 -2.23 0.00 0.00 178.31 178.42 1a49 h LEU 3626N 0.73 0.11 -1.06 0.59 5.85 -2.00 -1.89 115.31 117.64 1a49 h LEU 3626Ca 0.34 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1a49 h LEU 3626Cb 0.25 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1a49 h LEU 3626CO -0.21 0.21 0.63 -0.08 -0.34 0.00 0.00 178.44 178.65 1a49 h GLU 3627N 0.01 1.12 -0.97 1.25 4.57 -1.84 -1.94 114.58 116.78 1a49 h GLU 3627Ca 0.03 -0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1a49 h GLU 3627Cb 0.13 -0.25 -0.08 0.00 -0.16 0.00 0.00 28.75 28.39 1a49 h GLU 3627CO -0.00 0.74 0.62 1.25 -1.18 0.00 0.00 179.01 180.44 1a49 h HIS 3628N 1.15 1.08 -0.19 0.92 2.76 -0.18 -2.19 115.15 118.51 1a49 h HIS 3628Ca 0.41 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.51 1a49 h HIS 3628Cb 0.13 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.74 1a49 h HIS 3628CO -0.00 0.45 -0.26 0.52 -1.30 0.00 0.00 177.93 177.34 1a49 h MET 3629N 0.97 0.51 -0.21 5.26 2.86 -0.79 -3.09 114.93 120.44 1a49 h MET 3629Ca 0.47 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1a49 h MET 3629Cb 0.46 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1a49 h MET 3629CO -0.23 0.89 0.28 0.00 1.06 0.00 0.00 176.91 178.91 1a49 n ARG 3631N -3.63 0.77 -1.81 0.00 1.74 -1.02 -4.95 116.66 107.76 1a49 n ARG 3631Ca 0.02 -0.62 -0.42 0.00 -0.77 0.00 0.00 57.85 56.07 1a49 n ARG 3631Cb 0.40 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 1a49 n ARG 3631CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a49 s LEU 3632N -2.65 4.38 -0.12 0.55 1.43 -0.72 -4.40 118.68 117.15 1a49 s LEU 3632Ca 0.16 2.72 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1a49 s LEU 3632Cb 0.18 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.83 1a49 s LEU 3632CO 0.66 -0.93 -0.13 -0.62 0.23 0.00 0.00 176.35 175.55 1a49 s ASP 3633N 1.71 2.42 0.51 2.29 -1.08 -1.26 -4.99 116.67 116.27 1a49 s ASP 3633Ca 0.75 -0.41 0.30 0.00 -0.52 0.00 0.00 52.55 52.66 1a49 s ASP 3633Cb -0.46 -1.05 1.23 0.00 -1.46 0.00 0.00 42.92 41.17 1a49 s ASP 3633CO 0.33 -0.03 1.94 0.16 0.52 0.00 0.00 175.17 178.09 1a49 h ILE 3634N 6.03 0.24 -0.25 4.11 3.07 -2.01 -1.61 117.51 127.09 1a49 h ILE 3634Ca -0.33 -0.72 0.00 0.00 1.55 0.00 0.00 64.86 65.35 1a49 h ILE 3634Cb 1.15 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 1a49 h ILE 3634CO 0.49 0.09 0.00 0.47 -1.05 0.00 0.00 178.15 178.14 1a49 n ASP 3635N -3.24 2.07 -4.48 2.16 8.00 -1.26 -4.72 116.55 115.08 1a49 n ASP 3635Ca 0.00 -1.81 -0.40 0.00 0.71 0.00 0.00 54.79 53.29 1a49 n ASP 3635Cb 0.34 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.17 1a49 n ASP 3635CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a49 s SER 3636N -1.46 5.85 0.22 -2.24 0.15 -0.61 -4.92 113.70 110.70 1a49 s SER 3636Ca 0.32 -0.51 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 1a49 s SER 3636Cb 0.18 -2.08 -0.08 0.00 -1.71 0.00 0.00 66.02 62.32 1a49 s SER 3636CO 0.26 -0.24 0.76 0.00 1.20 0.00 0.00 173.24 175.23 1a49 s ALA 3637N 1.67 3.40 0.71 5.45 0.00 -1.26 -4.50 121.76 127.23 1a49 s ALA 3637Ca 0.05 0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1a49 s ALA 3637Cb -0.17 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.07 1a49 s ALA 3637CO 0.09 0.30 1.07 -1.25 0.00 0.00 0.00 175.76 175.96 1a49 s PRO 3638N -1.78 2.79 0.80 0.00 0.04 -1.26 0.72 135.00 136.31 1a49 s PRO 3638Ca 0.42 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1a49 s PRO 3638Cb -0.18 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.45 1a49 s PRO 3638CO 0.22 -1.18 1.11 0.96 0.04 0.00 0.00 177.00 178.15 1a49 s ILE 3639N -3.07 2.87 0.19 0.56 -4.36 -1.26 -4.80 121.20 111.33 1a49 s ILE 3639Ca 0.58 0.28 -0.00 0.00 -0.26 0.00 0.00 60.65 61.25 1a49 s ILE 3639Cb -0.14 -3.09 -0.08 0.00 1.25 0.00 0.00 42.46 40.39 1a49 s ILE 3639CO 0.55 -0.37 1.47 0.71 0.24 0.00 0.00 174.94 177.54 1a49 h THR 3640N -1.08 1.37 -3.44 8.37 1.35 -1.94 -3.44 112.91 114.09 1a49 h THR 3640Ca -0.47 -2.05 -0.53 0.00 -0.55 0.00 0.00 66.41 62.81 1a49 h THR 3640Cb 1.28 2.04 0.06 0.00 -1.73 0.00 0.00 68.15 69.79 1a49 h THR 3640CO 0.61 0.62 0.73 0.00 -0.25 0.00 0.00 175.52 177.23 1a49 s ALA 3641N -3.71 3.60 -0.31 6.62 0.00 -1.26 -5.01 121.76 121.69 1a49 s ALA 3641Ca -0.06 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1a49 s ALA 3641Cb 0.11 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1a49 s ALA 3641CO 0.83 -0.72 0.02 0.50 0.00 0.00 0.00 175.76 176.40 1a49 s ARG 3642N -0.53 2.42 0.34 0.00 3.00 -1.26 -4.90 118.95 118.02 1a49 s ARG 3642Ca 0.58 -1.30 0.18 0.00 -1.00 0.00 0.00 55.73 54.20 1a49 s ARG 3642Cb -0.41 -3.24 0.29 0.00 0.00 0.00 0.00 34.95 31.60 1a49 s ARG 3642CO 0.44 -0.66 1.56 -0.91 0.00 0.00 0.00 175.30 175.73 1a49 h ASN 3643N 8.02 0.00 -3.24 -2.12 -0.26 -1.93 -3.45 115.58 112.61 1a49 h ASN 3643Ca -0.21 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 54.94 1a49 h ASN 3643Cb 1.06 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.24 1a49 h ASN 3643CO 0.55 0.35 0.54 -0.89 -1.06 0.00 0.00 177.43 176.92 1a49 s THR 3644N -3.15 4.80 0.53 2.81 2.01 -1.26 0.46 115.64 121.84 1a49 s THR 3644Ca 0.04 1.67 -0.21 0.00 0.31 0.00 0.00 61.69 63.50 1a49 s THR 3644Cb 0.08 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1a49 s THR 3644CO 0.71 -0.10 1.26 -0.83 -0.69 0.00 0.00 174.62 174.97 1a49 s GLY 3645N 1.31 2.82 -0.23 4.40 0.00 -1.05 -4.83 107.32 109.74 1a49 s GLY 3645Ca 0.37 1.12 -0.03 0.00 0.00 0.00 0.00 44.72 46.19 1a49 s GLY 3645CO 0.07 1.59 -0.07 -0.42 0.00 0.00 0.00 173.10 174.27 1a49 s ILE 3646N -1.46 3.03 -0.15 0.90 1.01 -1.26 -1.01 121.20 122.27 1a49 s ILE 3646Ca 0.71 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1a49 s ILE 3646Cb -0.34 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1a49 s ILE 3646CO 0.40 0.36 0.12 -0.63 0.00 0.00 0.00 174.94 175.19 1a49 s ILE 3647N 1.40 5.37 -0.04 2.92 1.01 0.29 -1.73 121.20 130.41 1a49 s ILE 3647Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1a49 s ILE 3647Cb -0.15 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 1a49 s ILE 3647CO -0.05 0.55 -0.15 0.00 0.00 0.00 0.00 174.94 175.29 1a49 s THR 3649N 0.11 4.98 -0.07 0.00 2.01 -0.69 -0.06 115.64 121.92 1a49 s THR 3649Ca -0.04 1.26 -0.16 0.00 0.31 0.00 0.00 61.69 63.06 1a49 s THR 3649Cb -0.11 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1a49 s THR 3649CO 0.02 0.06 0.43 -0.63 -0.69 0.00 0.00 174.62 173.81 1a49 s ILE 3650N 2.17 5.13 0.00 1.82 -1.09 -0.91 -1.76 121.20 126.56 1a49 s ILE 3650Ca 0.30 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1a49 s ILE 3650Cb -0.16 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1a49 s ILE 3650CO 0.10 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1a49 n GLY 3651N 2.68 2.90 0.25 6.18 0.00 -1.22 -4.75 105.19 111.23 1a49 n GLY 3651Ca -0.10 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 44.84 1a49 n GLY 3651CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 3652N 0.00 -0.05 0.21 1.61 -0.04 -1.09 0.17 135.00 135.80 1a49 n PRO 3652Ca 0.00 1.08 0.14 0.00 -0.04 0.00 0.00 63.50 64.68 1a49 n PRO 3652Cb 0.00 -1.81 0.50 0.00 -0.04 0.00 0.00 33.50 32.15 1a49 n PRO 3652CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a49 h ALA 3653N 1.49 1.00 0.00 0.55 0.00 -1.72 -3.34 119.26 117.24 1a49 h ALA 3653Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1a49 h ALA 3653Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a49 h ALA 3653CO -0.64 0.00 -0.19 -1.13 0.00 0.00 0.00 179.25 177.29 1a49 n SER 3654N -2.78 0.26 0.17 0.00 3.41 0.44 -4.88 113.62 110.23 1a49 n SER 3654Ca 0.02 -1.54 0.05 0.00 -0.26 0.00 0.00 58.87 57.14 1a49 n SER 3654Cb 0.35 -0.10 0.14 0.00 -0.26 0.00 0.00 64.21 64.34 1a49 n SER 3654CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a49 h ARG 3655N 0.00 0.00 -7.15 4.33 2.43 -1.16 -3.39 114.38 109.45 1a49 h ARG 3655Ca 0.00 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1a49 h ARG 3655Cb 1.11 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1a49 h ARG 3655CO 0.00 0.37 0.37 -1.54 -1.51 0.00 0.00 179.97 177.66 1a49 s SER 3656N -6.37 6.35 0.17 -3.80 1.04 -1.26 -4.81 113.70 105.02 1a49 s SER 3656Ca 0.04 1.74 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 1a49 s SER 3656Cb 0.08 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.77 1a49 s SER 3656CO 0.71 -0.77 1.75 0.58 0.98 0.00 0.00 173.24 176.49 1a49 h VAL 3657N 1.05 0.87 -0.83 5.02 2.07 -1.91 -1.47 116.25 121.06 1a49 h VAL 3657Ca -0.48 -0.11 0.16 0.00 0.82 0.00 0.00 66.70 67.10 1a49 h VAL 3657Cb 1.20 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 1a49 h VAL 3657CO 0.60 0.06 0.38 -0.08 0.02 0.00 0.00 177.57 178.55 1a49 h GLU 3658N 0.31 0.51 0.06 1.57 4.81 -1.95 -1.82 114.58 118.06 1a49 h GLU 3658Ca 0.19 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.14 1a49 h GLU 3658Cb 0.18 -0.11 0.02 0.00 0.63 0.00 0.00 28.75 29.47 1a49 h GLU 3658CO -0.20 0.34 -1.01 1.15 -0.73 0.00 0.00 179.01 178.56 1a49 h THR 3659N 0.52 1.34 -1.01 0.32 2.02 -1.69 -3.10 112.91 111.32 1a49 h THR 3659Ca 0.46 -2.32 0.22 0.00 0.77 0.00 0.00 66.41 65.54 1a49 h THR 3659Cb 0.72 2.64 -0.11 0.00 -1.74 0.00 0.00 68.15 69.65 1a49 h THR 3659CO -0.41 0.70 0.61 -0.07 0.37 0.00 0.00 175.52 176.72 1a49 h LEU 3660N 0.16 0.69 -0.69 2.58 3.38 -0.76 0.69 115.31 121.37 1a49 h LEU 3660Ca -0.14 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1a49 h LEU 3660Cb 1.70 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1a49 h LEU 3660CO 0.19 0.18 0.42 0.11 0.09 0.00 0.00 178.44 179.44 1a49 h LYS 3661N 0.64 0.79 -0.35 1.13 1.57 -1.30 0.58 116.57 119.64 1a49 h LYS 3661Ca 0.61 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.17 1a49 h LYS 3661Cb 1.11 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1a49 h LYS 3661CO -0.41 0.52 -0.43 0.93 -0.57 0.00 0.00 179.45 179.49 1a49 h GLU 3662N 0.82 0.90 -0.87 3.15 4.39 0.22 -2.15 114.58 121.04 1a49 h GLU 3662Ca 0.28 -0.50 0.07 0.00 0.34 0.00 0.00 59.36 59.55 1a49 h GLU 3662Cb 0.05 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1a49 h GLU 3662CO -0.12 1.15 0.54 0.52 -1.16 0.00 0.00 179.01 179.94 1a49 h MET 3663N 0.73 0.93 0.88 2.33 2.86 0.76 0.19 114.93 123.61 1a49 h MET 3663Ca 0.05 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1a49 h MET 3663Cb 1.03 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 32.49 1a49 h MET 3663CO 0.10 0.62 -0.42 0.82 1.06 0.00 0.00 176.91 179.09 1a49 h ILE 3664N 0.96 0.02 -0.97 -1.22 2.04 -0.59 -0.04 117.51 117.71 1a49 h ILE 3664Ca 0.39 -0.12 0.21 0.00 1.00 0.00 0.00 64.86 66.34 1a49 h ILE 3664Cb 0.22 0.02 -0.12 0.00 -0.74 0.00 0.00 36.82 36.20 1a49 h ILE 3664CO -0.19 0.00 0.54 0.11 0.00 0.00 0.00 178.15 178.61 1a49 h LYS 3665N -1.30 0.59 0.00 2.37 1.57 -1.00 0.24 116.57 119.04 1a49 h LYS 3665Ca -0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1a49 h LYS 3665Cb 0.91 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1a49 h LYS 3665CO 0.20 0.39 0.00 -1.13 -0.57 0.00 0.00 179.45 178.34 1a49 n SER 3666N -4.88 0.00 0.00 0.86 3.41 0.64 -4.88 113.62 108.77 1a49 n SER 3666Ca 0.24 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1a49 n SER 3666Cb 0.64 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1a49 n SER 3666CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a49 n GLY 3667N 0.74 0.84 3.66 5.00 0.00 0.84 -4.30 105.19 111.98 1a49 n GLY 3667Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.64 1a49 n GLY 3667CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a49 n MET 3668N 0.00 2.06 -0.03 1.61 0.00 -0.07 -4.55 117.12 116.14 1a49 n MET 3668Ca 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 57.70 58.43 1a49 n MET 3668Cb 0.00 -2.50 -0.06 0.00 0.00 0.00 0.00 33.22 30.65 1a49 n MET 3668CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a49 n ASN 3669N 3.48 3.08 -3.84 6.12 4.13 -0.71 -4.69 115.26 122.83 1a49 n ASN 3669Ca 0.17 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.27 1a49 n ASN 3669Cb 0.28 0.93 -0.16 0.00 -1.54 0.00 0.00 39.78 39.29 1a49 n ASN 3669CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a49 s VAL 3670N -2.33 0.22 -0.26 2.41 1.01 -1.15 -1.18 120.40 119.13 1a49 s VAL 3670Ca -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1a49 s VAL 3670Cb 0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1a49 s VAL 3670CO 0.33 0.14 0.16 0.00 0.00 0.00 0.00 175.10 175.73 1a49 s ALA 3671N 0.84 3.51 -0.22 5.51 0.00 0.54 -1.06 121.76 130.89 1a49 s ALA 3671Ca -0.09 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 1a49 s ALA 3671Cb -0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1a49 s ALA 3671CO -0.01 -0.37 0.11 0.50 0.00 0.00 0.00 175.76 175.98 1a49 s ARG 3672N 1.40 3.95 -0.30 0.00 3.52 0.92 -0.30 118.95 128.14 1a49 s ARG 3672Ca 0.07 -0.34 -0.07 0.00 -0.13 0.00 0.00 55.73 55.25 1a49 s ARG 3672Cb -0.15 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1a49 s ARG 3672CO 0.07 0.08 0.09 -1.64 -0.81 0.00 0.00 175.30 173.10 1a49 s MET 3673N 0.94 3.10 -0.72 5.12 -1.94 0.16 -2.15 119.30 123.81 1a49 s MET 3673Ca 0.05 -0.86 -0.22 0.00 -1.71 0.00 0.00 55.69 52.96 1a49 s MET 3673Cb -0.14 -3.41 0.08 0.00 2.01 0.00 0.00 34.83 33.37 1a49 s MET 3673CO 0.03 -0.46 1.02 1.21 -0.01 0.00 0.00 175.02 176.81 1a49 s ASN 3674N 1.51 6.26 0.00 3.03 3.84 -1.26 0.89 114.94 129.21 1a49 s ASN 3674Ca 0.03 -1.17 0.08 0.00 0.21 0.00 0.00 52.86 52.00 1a49 s ASN 3674Cb -0.17 -2.42 0.35 0.00 -0.55 0.00 0.00 41.25 38.45 1a49 s ASN 3674CO 0.03 -1.39 1.23 0.49 -2.79 0.00 0.00 177.10 174.67 1a49 n PHE 3675N 7.59 0.00 0.44 0.43 3.01 0.14 -0.13 117.46 128.94 1a49 n PHE 3675Ca 0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.58 1a49 n PHE 3675Cb 0.46 -0.46 0.42 0.00 -0.01 0.00 0.00 39.48 39.89 1a49 n PHE 3675CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1a49 n SER 3676N -1.46 0.40 -4.29 4.37 7.64 -1.26 -4.66 113.62 114.36 1a49 n SER 3676Ca 0.02 0.60 -0.16 0.00 1.01 0.00 0.00 58.87 60.34 1a49 n SER 3676Cb 0.09 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 1a49 n SER 3676CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1a49 s HIS 3677N -3.19 1.46 0.20 1.43 3.76 0.82 -5.07 115.29 114.70 1a49 s HIS 3677Ca 0.05 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1a49 s HIS 3677Cb 0.09 -0.72 0.00 0.00 1.11 0.00 0.00 32.58 33.07 1a49 s HIS 3677CO 0.34 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 1a49 n GLY 3678N -0.15 -1.34 3.92 -2.22 0.00 -1.26 -4.83 105.19 99.31 1a49 n GLY 3678Ca -0.10 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 1a49 n GLY 3678CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a49 s THR 3679N -1.41 1.90 0.28 2.61 -1.32 -1.26 -4.98 115.64 111.46 1a49 s THR 3679Ca 0.00 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.08 1a49 s THR 3679Cb 0.00 -2.29 0.15 0.00 -1.51 0.00 0.00 72.50 68.85 1a49 s THR 3679CO 0.00 0.00 1.83 0.45 -2.21 0.00 0.00 174.62 174.69 1a49 h HIS 3680N 0.71 0.85 0.00 9.09 -0.00 -1.99 -2.07 115.15 121.74 1a49 h HIS 3680Ca -0.36 -0.08 -0.12 0.00 -0.00 0.00 0.00 60.37 59.81 1a49 h HIS 3680Cb 1.29 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.44 1a49 h HIS 3680CO 0.81 0.71 -0.55 1.05 -0.00 0.00 0.00 177.93 179.95 1a49 h GLU 3681N 0.79 0.00 -0.02 2.45 4.11 -1.99 -0.46 114.58 119.46 1a49 h GLU 3681Ca 0.17 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.48 1a49 h GLU 3681Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1a49 h GLU 3681CO -0.00 0.55 -0.47 -0.92 0.07 0.00 0.00 179.01 178.24 1a49 h TYR 3682N 0.00 0.52 -0.47 2.06 5.03 -1.89 -3.01 116.97 119.20 1a49 h TYR 3682Ca -0.01 -0.27 -0.03 0.00 2.58 0.00 0.00 58.73 61.01 1a49 h TYR 3682Cb 1.09 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 1a49 h TYR 3682CO 0.00 1.07 0.17 0.45 -1.32 0.00 0.00 178.16 178.53 1a49 h HIS 3683N -0.18 0.73 -0.82 -3.82 3.86 -1.33 -0.84 115.15 112.76 1a49 h HIS 3683Ca -0.05 -0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.23 1a49 h HIS 3683Cb 1.18 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.37 1a49 h HIS 3683CO 0.15 0.63 0.54 0.00 0.86 0.00 0.00 177.93 180.10 1a49 h ALA 3684N 1.02 1.92 0.14 2.45 0.00 -1.12 -0.37 119.26 123.31 1a49 h ALA 3684Ca 0.16 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 1a49 h ALA 3684Cb 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1a49 h ALA 3684CO -0.01 -0.13 -1.28 1.49 0.00 0.00 0.00 179.25 179.32 1a49 h GLU 3685N 0.60 0.60 -0.07 0.00 4.81 -1.27 -0.59 114.58 118.66 1a49 h GLU 3685Ca 0.40 -0.84 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1a49 h GLU 3685Cb 0.71 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 30.31 1a49 h GLU 3685CO -0.16 1.38 -0.33 1.15 -0.73 0.00 0.00 179.01 180.32 1a49 h THR 3686N 0.25 0.28 -0.69 0.32 2.02 -0.49 0.60 112.91 115.20 1a49 h THR 3686Ca -0.20 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.13 1a49 h THR 3686Cb 1.96 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 68.54 1a49 h THR 3686CO 0.24 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.69 1a49 h ILE 3687N -0.44 0.56 -0.40 3.11 1.08 -1.09 0.69 117.51 121.01 1a49 h ILE 3687Ca 0.08 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1a49 h ILE 3687Cb 0.56 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1a49 h ILE 3687CO -0.32 0.05 0.12 0.50 -0.69 0.00 0.00 178.15 177.81 1a49 h LYS 3688N 0.27 0.26 -0.26 2.37 3.64 0.72 0.95 116.57 124.51 1a49 h LYS 3688Ca 0.38 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1a49 h LYS 3688Cb 0.62 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1a49 h LYS 3688CO -0.47 0.17 -0.14 -0.91 -2.27 0.00 0.00 179.45 175.83 1a49 h ASN 3689N 0.26 0.43 -0.56 4.20 -0.26 0.33 -1.12 115.58 118.87 1a49 h ASN 3689Ca 0.19 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.76 1a49 h ASN 3689Cb 0.19 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1a49 h ASN 3689CO -0.21 0.60 0.15 0.58 -1.06 0.00 0.00 177.43 177.49 1a49 h VAL 3690N 0.41 1.24 -0.34 2.81 2.07 0.20 -2.63 116.25 120.01 1a49 h VAL 3690Ca 0.08 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.61 1a49 h VAL 3690Cb 0.49 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1a49 h VAL 3690CO 0.03 0.32 -0.31 0.03 0.02 0.00 0.00 177.57 177.66 1a49 h ARG 3691N 0.79 0.74 -0.46 1.57 3.08 -0.33 -2.21 114.38 117.56 1a49 h ARG 3691Ca 0.18 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1a49 h ARG 3691Cb 0.33 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1a49 h ARG 3691CO -0.00 0.95 0.17 1.15 -1.07 0.00 0.00 179.97 181.17 1a49 h THR 3692N 0.63 0.86 0.35 2.04 2.02 -1.10 -0.04 112.91 117.68 1a49 h THR 3692Ca 0.07 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1a49 h THR 3692Cb 0.83 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1a49 h THR 3692CO 0.07 0.06 -0.17 0.00 0.37 0.00 0.00 175.52 175.86 1a49 h ALA 3693N 1.30 -0.47 -0.25 6.16 0.00 -1.40 -0.36 119.26 124.24 1a49 h ALA 3693Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1a49 h ALA 3693Cb 0.21 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1a49 h ALA 3693CO -0.21 -0.67 -0.34 1.15 0.00 0.00 0.00 179.25 179.17 1a49 h THR 3694N -0.66 0.24 -0.03 0.00 2.02 -1.05 0.65 112.91 114.08 1a49 h THR 3694Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1a49 h THR 3694Cb 0.47 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1a49 h THR 3694CO 0.08 0.00 0.03 -0.33 0.37 0.00 0.00 175.52 175.67 1a49 h GLU 3695N -0.35 0.00 -0.03 6.66 4.39 -0.94 -1.91 114.58 122.40 1a49 h GLU 3695Ca 0.12 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1a49 h GLU 3695Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1a49 h GLU 3695CO -0.44 0.00 0.30 0.66 -1.16 0.00 0.00 179.01 178.37 1a49 h SER 3696N 0.00 0.00 -0.37 1.42 4.64 0.95 0.26 113.55 120.44 1a49 h SER 3696Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1a49 h SER 3696Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1a49 h SER 3696CO -0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1a49 n PHE 3697N -2.99 1.13 0.67 4.77 3.01 -0.72 -4.61 117.46 118.72 1a49 n PHE 3697Ca -0.01 -0.76 0.13 0.00 1.01 0.00 0.00 57.45 57.81 1a49 n PHE 3697Cb 0.36 -0.30 0.40 0.00 -0.01 0.00 0.00 39.48 39.93 1a49 n PHE 3697CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1a49 n ALA 3698N 0.03 2.39 -0.24 4.37 0.00 0.08 -3.73 120.51 123.41 1a49 n ALA 3698Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1a49 n ALA 3698Cb 0.87 -1.43 0.14 0.00 0.00 0.00 0.00 19.45 19.03 1a49 n ALA 3698CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a49 h SER 3699N 0.00 -0.32 -3.89 0.00 4.64 -1.81 -3.20 113.55 108.97 1a49 h SER 3699Ca 0.00 0.18 -0.77 0.00 -0.47 0.00 0.00 61.79 60.73 1a49 h SER 3699Cb 0.71 0.32 -0.28 0.00 -0.31 0.00 0.00 62.40 62.84 1a49 h SER 3699CO 0.00 -0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.19 1a49 s ASP 3700N -5.21 6.45 0.44 4.97 -1.08 -1.24 -4.93 116.67 116.07 1a49 s ASP 3700Ca -0.13 -2.72 0.29 0.00 -0.52 0.00 0.00 52.55 49.46 1a49 s ASP 3700Cb 0.21 -2.14 1.38 0.00 -1.46 0.00 0.00 42.92 40.91 1a49 s ASP 3700CO 0.75 -0.53 1.66 1.55 0.52 0.00 0.00 175.17 179.11 1a49 h PRO 3701N 7.63 0.13 0.00 4.34 0.13 -1.81 0.81 132.00 143.24 1a49 h PRO 3701Ca 0.08 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1a49 h PRO 3701Cb 1.02 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 1a49 h PRO 3701CO 0.75 0.09 -0.11 0.82 -0.23 0.00 0.00 178.00 179.31 1a49 h ILE 3702N 0.14 0.25 -0.02 -3.56 1.08 -1.92 -3.11 117.51 110.37 1a49 h ILE 3702Ca 0.77 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1a49 h ILE 3702Cb 2.40 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 37.92 1a49 h ILE 3702CO -0.36 0.11 0.00 0.18 -0.69 0.00 0.00 178.15 177.39 1a49 n LEU 3703N -3.20 2.26 -4.70 1.44 4.32 0.26 -4.75 117.00 112.63 1a49 n LEU 3703Ca 0.01 -2.54 -0.41 0.00 -0.02 0.00 0.00 56.01 53.06 1a49 n LEU 3703Cb 0.43 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.96 1a49 n LEU 3703CO 0.32 0.61 0.55 -0.47 -1.22 0.00 0.00 177.39 177.18 1a49 s TYR 3704N -1.93 3.56 -0.18 -1.77 5.04 0.14 -4.93 117.35 117.28 1a49 s TYR 3704Ca 0.17 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 56.20 1a49 s TYR 3704Cb 0.15 -2.97 0.03 0.00 0.35 0.00 0.00 41.96 39.52 1a49 s TYR 3704CO 0.02 -0.04 -0.16 1.03 -1.34 0.00 0.00 175.55 175.07 1a49 s ARG 3705N 1.27 2.53 0.55 4.97 0.52 -1.26 -4.88 118.95 122.64 1a49 s ARG 3705Ca 0.42 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.65 1a49 s ARG 3705Cb -0.18 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.81 1a49 s ARG 3705CO 0.19 -0.29 1.13 -2.14 0.02 0.00 0.00 175.30 174.21 1a49 s PRO 3706N 1.36 3.35 -0.04 3.54 0.02 -1.26 -4.95 135.00 137.01 1a49 s PRO 3706Ca 0.03 1.59 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 1a49 s PRO 3706Cb -0.14 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1a49 s PRO 3706CO -0.11 -0.85 0.03 0.08 -0.33 0.00 0.00 177.00 175.82 1a49 s VAL 3707N -1.80 0.08 0.36 3.83 1.01 -1.26 -4.89 120.40 117.72 1a49 s VAL 3707Ca 0.72 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1a49 s VAL 3707Cb -0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 1a49 s VAL 3707CO 0.27 0.18 0.70 0.00 0.00 0.00 0.00 175.10 176.26 1a49 s ALA 3708N 1.76 3.42 -0.28 5.51 0.00 -0.32 -4.89 121.76 126.95 1a49 s ALA 3708Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1a49 s ALA 3708Cb -0.13 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 1a49 s ALA 3708CO -0.03 0.13 0.08 0.08 0.00 0.00 0.00 175.76 176.01 1a49 s VAL 3709N -2.22 4.07 -0.13 0.00 1.01 -1.26 -0.34 120.40 121.54 1a49 s VAL 3709Ca 0.50 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1a49 s VAL 3709Cb -0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1a49 s VAL 3709CO 0.28 0.17 -0.18 0.00 0.00 0.00 0.00 175.10 175.38 1a49 s ALA 3710N 1.54 2.42 -0.37 5.51 0.00 0.59 -0.07 121.76 131.38 1a49 s ALA 3710Ca 0.04 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1a49 s ALA 3710Cb -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1a49 s ALA 3710CO 0.03 0.18 0.42 -1.17 0.00 0.00 0.00 175.76 175.22 1a49 s LEU 3711N 0.48 4.58 -0.27 0.00 0.20 -0.98 0.39 118.68 123.07 1a49 s LEU 3711Ca -0.12 -0.36 -0.12 0.00 0.69 0.00 0.00 54.13 54.22 1a49 s LEU 3711Cb -0.16 -2.41 -0.05 0.00 -0.43 0.00 0.00 46.19 43.14 1a49 s LEU 3711CO 0.05 -0.46 0.26 -0.62 -0.29 0.00 0.00 176.35 175.28 1a49 s ASP 3712N 1.77 6.11 0.48 3.68 -1.08 0.26 -1.94 116.67 125.95 1a49 s ASP 3712Ca 0.13 0.11 -0.22 0.00 -0.52 0.00 0.00 52.55 52.05 1a49 s ASP 3712Cb -0.16 -2.15 -0.07 0.00 -1.46 0.00 0.00 42.92 39.07 1a49 s ASP 3712CO 0.13 -0.09 1.13 -0.89 0.52 0.00 0.00 175.17 175.97 1a49 s THR 3713N 1.83 3.26 0.01 1.71 2.01 -1.02 0.26 115.64 123.70 1a49 s THR 3713Ca 0.10 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 62.81 1a49 s THR 3713Cb -0.16 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 1a49 s THR 3713CO 0.10 -0.07 0.98 0.50 -0.69 0.00 0.00 174.62 175.44 1a49 h LYS 3714N 1.83 -0.64 0.00 4.92 3.64 -1.91 -3.37 116.57 121.03 1a49 h LYS 3714Ca -0.49 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1a49 h LYS 3714Cb 1.24 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1a49 h LYS 3714CO 0.59 -0.42 -0.05 0.41 -2.27 0.00 0.00 179.45 177.71 1a49 n GLY 3715N -0.48 -1.97 3.24 5.01 0.00 -1.26 -4.23 105.19 105.49 1a49 n GLY 3715Ca -0.08 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1a49 n GLY 3715CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a49 n PRO 3716N -0.96 0.71 -3.63 1.61 -0.02 -1.26 -4.84 135.00 126.61 1a49 n PRO 3716Ca 0.00 -1.30 -0.30 0.00 -2.02 0.00 0.00 63.50 59.88 1a49 n PRO 3716Cb 0.06 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 30.89 1a49 n PRO 3716CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1a49 s GLU 3717N 5.81 3.60 -0.09 -0.52 2.02 -1.26 -5.04 118.70 123.23 1a49 s GLU 3717Ca 0.56 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.46 1a49 s GLU 3717Cb 0.13 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1a49 s GLU 3717CO 0.20 0.42 -0.20 0.42 0.02 0.00 0.00 175.26 176.12 1a49 s ILE 3718N -1.76 1.78 0.08 -1.63 1.01 -1.26 -4.94 121.20 114.49 1a49 s ILE 3718Ca 0.41 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1a49 s ILE 3718Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1a49 s ILE 3718CO 0.26 0.50 -0.07 -0.13 0.00 0.00 0.00 174.94 175.50 1a49 s ARG 3719N 0.45 0.74 0.61 2.79 1.81 -1.26 -0.82 118.95 123.28 1a49 s ARG 3719Ca -0.17 -1.17 -0.12 0.00 -1.72 0.00 0.00 55.73 52.55 1a49 s ARG 3719Cb -0.17 -0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.07 1a49 s ARG 3719CO 0.07 -0.00 1.03 0.99 -0.68 0.00 0.00 175.30 176.71 1a49 s THR 3720N -3.02 4.62 0.00 0.02 2.01 -0.75 -1.08 115.64 117.43 1a49 s THR 3720Ca 0.06 0.91 0.00 0.00 0.31 0.00 0.00 61.69 62.97 1a49 s THR 3720Cb 0.01 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1a49 s THR 3720CO -0.04 -1.06 0.00 0.61 -0.69 0.00 0.00 174.62 173.45 1a49 n GLY 3721N -2.51 0.20 3.58 4.40 0.00 0.61 -3.97 105.19 107.50 1a49 n GLY 3721Ca 0.06 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1a49 n GLY 3721CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a49 s LEU 3722N 0.00 3.08 -0.28 0.99 1.43 0.46 -2.16 118.68 122.20 1a49 s LEU 3722Ca 0.00 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1a49 s LEU 3722Cb 0.00 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1a49 s LEU 3722CO 0.00 0.26 0.54 -0.63 0.23 0.00 0.00 176.35 176.75 1a49 s ILE 3723N -1.03 5.03 -1.83 -0.59 -1.09 -1.24 0.46 121.20 120.92 1a49 s ILE 3723Ca 0.18 0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 59.21 1a49 s ILE 3723Cb -0.11 -3.88 0.20 0.00 -1.58 0.00 0.00 42.46 37.09 1a49 s ILE 3723CO 0.09 0.00 0.59 0.29 -1.23 0.00 0.00 174.94 174.68 1a49 n LYS 3724N 5.64 -1.21 0.00 2.79 4.01 -1.02 -1.06 118.16 127.30 1a49 n LYS 3724Ca -0.03 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 1a49 n LYS 3724Cb 0.49 -4.71 0.00 0.00 -0.51 0.00 0.00 35.03 30.31 1a49 n LYS 3724CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a49 n GLY 3725N -1.24 0.49 3.65 0.72 0.00 0.15 -4.89 105.19 104.06 1a49 n GLY 3725Ca 0.07 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.49 1a49 n GLY 3725CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a49 n SER 3726N 0.48 1.32 -0.99 1.61 7.64 -0.22 -4.86 113.62 118.60 1a49 n SER 3726Ca 0.00 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.10 1a49 n SER 3726Cb 0.00 -1.02 0.23 0.00 -1.01 0.00 0.00 64.21 62.41 1a49 n SER 3726CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a49 n GLY 3727N 3.17 1.50 0.00 0.23 0.00 -1.26 -3.53 105.19 105.29 1a49 n GLY 3727Ca 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1a49 n GLY 3727CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a49 n THR 3728N 0.93 0.00 0.00 2.61 -2.24 -1.26 -4.94 114.28 109.38 1a49 n THR 3728Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1a49 n THR 3728Cb 0.48 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1a49 n THR 3728CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 n ALA 3729N 0.00 0.00 0.00 6.98 0.00 -1.23 -5.07 120.51 121.19 1a49 n ALA 3729Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a49 n ALA 3729Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1a49 n ALA 3729CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a49 n GLU 3730N 0.00 0.00 -4.23 0.00 1.02 -1.26 -4.84 120.64 111.33 1a49 n GLU 3730Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1a49 n GLU 3730Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1a49 n GLU 3730CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a49 s VAL 3731N 0.00 1.42 -0.27 2.62 1.01 0.21 -4.94 120.40 120.45 1a49 s VAL 3731Ca 0.00 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.56 1a49 s VAL 3731Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1a49 s VAL 3731CO 0.00 -0.16 -0.07 -0.70 0.00 0.00 0.00 175.10 174.17 1a49 s GLU 3732N -1.89 1.99 0.02 2.72 2.12 -1.26 0.41 118.70 122.82 1a49 s GLU 3732Ca 0.03 -1.36 -0.28 0.00 0.36 0.00 0.00 54.97 53.72 1a49 s GLU 3732Cb -0.10 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1a49 s GLU 3732CO 0.03 -0.64 0.89 -0.51 -0.54 0.00 0.00 175.26 174.50 1a49 s LEU 3733N 1.13 4.41 -0.12 2.70 1.43 0.55 -4.86 118.68 123.92 1a49 s LEU 3733Ca -0.05 1.58 -0.05 0.00 -1.03 0.00 0.00 54.13 54.58 1a49 s LEU 3733Cb -0.20 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1a49 s LEU 3733CO -0.06 -0.14 0.06 -0.54 0.23 0.00 0.00 176.35 175.90 1a49 s LYS 3734N 0.54 3.34 0.11 1.70 1.02 -1.26 0.11 119.74 125.30 1a49 s LYS 3734Ca 0.46 -0.30 -0.36 0.00 0.02 0.00 0.00 55.97 55.79 1a49 s LYS 3734Cb -0.21 -3.01 -0.16 0.00 -0.52 0.00 0.00 37.83 33.93 1a49 s LYS 3734CO 0.26 0.64 1.38 1.17 -0.92 0.00 0.00 175.35 177.88 1a49 n LYS 3735N 2.37 1.37 -0.02 1.68 4.81 -1.26 -0.54 118.16 126.56 1a49 n LYS 3735Ca -0.19 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1a49 n LYS 3735Cb 0.54 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1a49 n LYS 3735CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a49 n GLY 3736N 2.67 1.84 3.68 3.14 0.00 0.10 -4.95 105.19 111.67 1a49 n GLY 3736Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1a49 n GLY 3736CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 3737N -2.65 1.05 0.19 4.61 0.00 0.30 -4.65 121.76 120.61 1a49 s ALA 3737Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1a49 s ALA 3737Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 1a49 s ALA 3737CO 0.00 -3.24 0.00 0.95 0.00 0.00 0.00 175.76 173.47 1a49 s THR 3738N -3.22 3.67 -0.16 0.00 -4.23 -1.26 -0.17 115.64 110.26 1a49 s THR 3738Ca 0.71 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.56 1a49 s THR 3738Cb -0.09 -2.87 0.05 0.00 1.34 0.00 0.00 72.50 70.93 1a49 s THR 3738CO 0.55 -0.17 0.43 -0.22 -0.54 0.00 0.00 174.62 174.67 1a49 s LEU 3739N -3.10 0.23 -0.32 4.79 2.96 -1.11 -4.83 118.68 117.30 1a49 s LEU 3739Ca 0.28 0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 1a49 s LEU 3739Cb -0.09 1.45 -0.01 0.00 0.50 0.00 0.00 46.19 48.04 1a49 s LEU 3739CO 0.19 -0.16 0.20 -0.75 -1.32 0.00 0.00 176.35 174.50 1a49 s LYS 3740N 0.55 3.45 0.07 1.98 2.20 -0.76 -1.69 119.74 125.54 1a49 s LYS 3740Ca -0.03 -0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 54.68 1a49 s LYS 3740Cb -0.04 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1a49 s LYS 3740CO -0.03 -0.42 0.74 0.42 -0.36 0.00 0.00 175.35 175.70 1a49 s ILE 3741N 1.67 4.67 0.03 5.43 1.01 0.28 0.79 121.20 135.08 1a49 s ILE 3741Ca 0.05 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.30 1a49 s ILE 3741Cb -0.17 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1a49 s ILE 3741CO 0.09 0.42 -0.06 -0.89 0.00 0.00 0.00 174.94 174.49 1a49 s THR 3742N -0.37 0.41 -0.13 2.92 2.01 1.07 -1.35 115.64 120.20 1a49 s THR 3742Ca 0.37 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 61.40 1a49 s THR 3742Cb -0.21 -0.47 -0.25 0.00 0.01 0.00 0.00 72.50 71.58 1a49 s THR 3742CO 0.23 -0.30 0.37 -0.07 -0.69 0.00 0.00 174.62 174.15 1a49 h LEU 3743N 4.85 0.34 -8.91 4.42 -0.00 -1.47 -1.15 115.31 113.40 1a49 h LEU 3743Ca -0.33 -0.85 -0.81 0.00 -0.00 0.00 0.00 57.88 55.88 1a49 h LEU 3743Cb 1.20 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1a49 h LEU 3743CO 0.43 1.76 0.87 -0.67 -0.00 0.00 0.00 178.44 180.83 1a49 n ASP 3744N -3.73 1.57 0.06 -0.43 -0.08 -1.25 -4.82 116.55 107.87 1a49 n ASP 3744Ca -0.31 1.06 0.09 0.00 -1.51 0.00 0.00 54.79 54.11 1a49 n ASP 3744Cb 0.96 -0.98 0.37 0.00 2.34 0.00 0.00 41.12 43.81 1a49 n ASP 3744CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1a49 n ASN 3745N 5.12 0.30 0.29 1.67 4.13 -1.26 -2.67 115.26 122.85 1a49 n ASN 3745Ca 0.33 0.58 0.18 0.00 1.68 0.00 0.00 54.58 57.35 1a49 n ASN 3745Cb 0.01 -0.64 0.93 0.00 -1.54 0.00 0.00 39.78 38.55 1a49 n ASN 3745CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a49 h ALA 3746N 2.33 1.39 -0.14 5.41 0.00 -2.00 -1.58 119.26 124.68 1a49 h ALA 3746Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a49 h ALA 3746Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1a49 h ALA 3746CO 0.00 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.66 1a49 n TYR 3747N -3.20 0.17 -0.26 0.00 4.02 -1.09 -4.69 117.16 112.11 1a49 n TYR 3747Ca -0.01 -0.25 0.04 0.00 -0.01 0.00 0.00 57.90 57.66 1a49 n TYR 3747Cb 0.29 -0.02 0.12 0.00 -0.02 0.00 0.00 39.34 39.72 1a49 n TYR 3747CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a49 h MET 3748N 1.55 0.04 -0.02 -0.72 4.05 -1.45 0.12 114.93 118.50 1a49 h MET 3748Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1a49 h MET 3748Cb 0.51 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1a49 h MET 3748CO 0.00 0.02 -0.32 0.39 0.23 0.00 0.00 176.91 177.24 1a49 n GLU 3749N -5.44 1.59 -1.06 0.39 -0.58 -1.26 0.17 120.64 114.45 1a49 n GLU 3749Ca 0.12 -1.31 -0.09 0.00 -0.42 0.00 0.00 57.16 55.46 1a49 n GLU 3749Cb 0.44 -1.47 0.28 0.00 -0.57 0.00 0.00 31.44 30.11 1a49 n GLU 3749CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1a49 n LYS 3750N 0.44 3.41 -1.99 3.49 4.81 0.39 0.31 118.16 129.02 1a49 n LYS 3750Ca 0.11 -3.08 -0.41 0.00 -0.87 0.00 0.00 58.31 54.06 1a49 n LYS 3750Cb 0.51 -2.20 -0.01 0.00 0.02 0.00 0.00 35.03 33.35 1a49 n LYS 3750CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a49 n ASP 3752N 0.69 -1.43 0.00 0.00 5.75 -0.32 -2.44 116.55 118.81 1a49 n ASP 3752Ca 0.01 -2.34 0.03 0.00 -0.01 0.00 0.00 54.79 52.48 1a49 n ASP 3752Cb 0.41 2.48 0.18 0.00 -1.03 0.00 0.00 41.12 43.16 1a49 n ASP 3752CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1a49 n GLU 3753N -0.43 0.30 0.00 0.11 0.28 -1.26 -2.22 120.64 117.42 1a49 n GLU 3753Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1a49 n GLU 3753Cb 0.46 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1a49 n GLU 3753CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a49 n ASN 3754N -0.83 4.11 -3.94 -1.84 4.13 -1.26 -4.86 115.26 110.78 1a49 n ASN 3754Ca 0.05 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.11 1a49 n ASN 3754Cb 0.02 0.41 -0.16 0.00 -1.54 0.00 0.00 39.78 38.51 1a49 n ASN 3754CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1a49 s ILE 3755N -1.82 0.60 -0.31 2.41 -0.00 -0.94 -1.82 121.20 119.31 1a49 s ILE 3755Ca 0.00 -0.21 -0.00 0.00 -0.00 0.00 0.00 60.65 60.43 1a49 s ILE 3755Cb 0.00 -0.58 0.06 0.00 -0.00 0.00 0.00 42.46 41.95 1a49 s ILE 3755CO 0.00 0.22 0.00 -0.22 -0.00 0.00 0.00 174.94 174.94 1a49 s LEU 3756N 0.53 4.02 -0.07 0.37 2.96 0.24 -1.17 118.68 125.55 1a49 s LEU 3756Ca -0.07 -1.47 -0.25 0.00 -0.22 0.00 0.00 54.13 52.11 1a49 s LEU 3756Cb -0.11 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1a49 s LEU 3756CO 0.00 -0.29 0.80 0.86 -1.32 0.00 0.00 176.35 176.40 1a49 s TRP 3757N 1.17 3.57 0.28 5.38 -0.00 -1.26 0.35 118.94 128.42 1a49 s TRP 3757Ca -0.03 1.36 0.08 0.00 -0.00 0.00 0.00 56.10 57.51 1a49 s TRP 3757Cb -0.20 -2.93 -0.04 0.00 -0.00 0.00 0.00 33.47 30.31 1a49 s TRP 3757CO -0.03 -0.00 0.12 -0.51 -0.00 0.00 0.00 176.95 176.53 1a49 s LEU 3758N 1.13 3.47 0.04 5.86 1.43 -0.43 -0.28 118.68 129.90 1a49 s LEU 3758Ca 0.41 -0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 1a49 s LEU 3758Cb -0.18 -2.00 -0.27 0.00 0.03 0.00 0.00 46.19 43.77 1a49 s LEU 3758CO 0.19 -0.10 1.11 -0.78 0.23 0.00 0.00 176.35 177.00 1a49 h ASP 3759N 1.62 0.82 -1.94 2.29 3.58 -1.43 -3.44 116.42 117.92 1a49 h ASP 3759Ca -0.46 -0.80 -0.67 0.00 0.42 0.00 0.00 57.03 55.52 1a49 h ASP 3759Cb 1.25 -0.26 -0.15 0.00 1.72 0.00 0.00 39.33 41.89 1a49 h ASP 3759CO 0.61 1.53 1.17 -0.47 -2.88 0.00 0.00 179.24 179.20 1a49 s TYR 3760N -3.05 3.00 -0.72 0.28 5.04 -1.26 -4.92 117.35 115.71 1a49 s TYR 3760Ca -0.10 -1.37 0.05 0.00 -2.44 0.00 0.00 57.07 53.20 1a49 s TYR 3760Cb 0.05 -4.42 0.25 0.00 0.35 0.00 0.00 41.96 38.19 1a49 s TYR 3760CO 0.91 -1.61 1.10 1.63 -1.34 0.00 0.00 175.55 176.23 1a49 n LYS 3761N 7.14 0.03 -0.19 4.97 5.02 -1.26 -1.04 118.16 132.83 1a49 n LYS 3761Ca 0.30 0.49 0.09 0.00 -2.02 0.00 0.00 58.31 57.16 1a49 n LYS 3761Cb 0.48 -1.65 0.18 0.00 -0.02 0.00 0.00 35.03 34.03 1a49 n LYS 3761CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a49 n ASN 3762N -1.63 3.12 -0.23 4.39 3.02 -1.26 -4.69 115.26 117.97 1a49 n ASN 3762Ca -0.00 -1.91 0.03 0.00 -0.03 0.00 0.00 54.58 52.67 1a49 n ASN 3762Cb 0.06 -0.25 0.14 0.00 -0.61 0.00 0.00 39.78 39.12 1a49 n ASN 3762CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1a49 h ILE 3763N 3.19 0.43 -0.85 2.41 2.10 -1.52 -2.15 117.51 121.12 1a49 h ILE 3763Ca 0.00 -0.04 0.24 0.00 1.08 0.00 0.00 64.86 66.14 1a49 h ILE 3763Cb 0.81 0.29 -0.04 0.00 -1.09 0.00 0.00 36.82 36.79 1a49 h ILE 3763CO 0.00 0.02 0.61 0.00 -1.08 0.00 0.00 178.15 177.70 1a49 h LYS 3765N 0.02 0.00 0.02 0.00 2.10 -1.76 -3.32 116.57 113.63 1a49 h LYS 3765Ca 0.41 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.76 1a49 h LYS 3765Cb 1.60 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.89 1a49 h LYS 3765CO -0.01 0.00 -1.70 0.28 -2.00 0.00 0.00 179.45 176.02 1a49 h VAL 3766N 0.00 0.88 -3.21 0.07 2.07 -0.86 -3.47 116.25 111.73 1a49 h VAL 3766Ca 0.00 -2.70 -0.64 0.00 0.82 0.00 0.00 66.70 64.18 1a49 h VAL 3766Cb 0.80 2.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.94 1a49 h VAL 3766CO 0.00 0.58 -0.61 0.68 0.02 0.00 0.00 177.57 178.24 1a49 s VAL 3767N -2.60 4.46 0.26 2.57 -7.23 -0.96 -4.45 120.40 112.44 1a49 s VAL 3767Ca -0.07 -0.78 0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1a49 s VAL 3767Cb 0.08 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 1a49 s VAL 3767CO 0.82 0.14 -0.08 -1.81 -0.31 0.00 0.00 175.10 173.86 1a49 s ASP 3768N -2.33 4.21 0.24 4.85 1.01 -1.26 -4.87 116.67 118.52 1a49 s ASP 3768Ca 0.28 -0.75 -0.31 0.00 0.71 0.00 0.00 52.55 52.49 1a49 s ASP 3768Cb -0.12 -0.66 -0.11 0.00 1.01 0.00 0.00 42.92 43.04 1a49 s ASP 3768CO 0.21 0.03 1.55 -0.69 0.21 0.00 0.00 175.17 176.47 1a49 s VAL 3769N -2.28 2.40 0.00 -1.27 1.01 -1.26 -1.51 120.40 117.48 1a49 s VAL 3769Ca 0.30 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1a49 s VAL 3769Cb -0.06 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1a49 s VAL 3769CO 0.18 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1a49 n GLY 3770N 2.73 3.30 3.56 4.51 0.00 0.10 -4.98 105.19 114.41 1a49 n GLY 3770Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1a49 n GLY 3770CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 3771N -1.15 1.64 0.04 1.61 0.01 -0.57 -4.51 113.70 110.78 1a49 s SER 3771Ca 0.00 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.91 1a49 s SER 3771Cb 0.00 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 1a49 s SER 3771CO 0.00 -3.80 -0.07 -0.54 0.41 0.00 0.00 173.24 169.23 1a49 s LYS 3772N -4.58 2.42 -0.08 12.44 3.01 -1.26 -0.20 119.74 131.50 1a49 s LYS 3772Ca 0.67 -0.83 0.04 0.00 -1.01 0.00 0.00 55.97 54.84 1a49 s LYS 3772Cb -0.23 -2.44 0.00 0.00 -1.01 0.00 0.00 37.83 34.14 1a49 s LYS 3772CO 0.62 0.57 -0.19 0.08 0.51 0.00 0.00 175.35 176.93 1a49 s VAL 3773N -1.10 1.68 -0.09 3.17 1.01 0.45 -4.78 120.40 120.74 1a49 s VAL 3773Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1a49 s VAL 3773Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1a49 s VAL 3773CO 0.11 0.48 -0.08 -0.31 0.00 0.00 0.00 175.10 175.29 1a49 s TYR 3774N 0.34 2.89 -0.00 5.22 2.02 -0.93 0.15 117.35 127.04 1a49 s TYR 3774Ca -0.14 -0.14 0.06 0.00 -0.37 0.00 0.00 57.07 56.48 1a49 s TYR 3774Cb -0.16 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1a49 s TYR 3774CO 0.06 0.18 -0.20 0.08 -1.57 0.00 0.00 175.55 174.10 1a49 s VAL 3775N -0.46 1.57 -0.66 0.71 1.01 0.16 -0.01 120.40 122.72 1a49 s VAL 3775Ca 0.07 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1a49 s VAL 3775Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1a49 s VAL 3775CO 0.02 0.39 0.58 -0.67 0.00 0.00 0.00 175.10 175.42 1a49 n ASP 3776N 2.46 -5.24 -4.11 3.32 -0.08 0.16 -0.59 116.55 112.47 1a49 n ASP 3776Ca -0.15 -0.39 -0.31 0.00 -1.51 0.00 0.00 54.79 52.43 1a49 n ASP 3776Cb 0.53 -3.68 -0.03 0.00 2.34 0.00 0.00 41.12 40.29 1a49 n ASP 3776CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a49 n ASP 3777N -2.42 -1.81 -0.18 1.67 9.92 -1.26 0.20 116.55 122.67 1a49 n ASP 3777Ca -0.04 -1.02 -0.02 0.00 -0.53 0.00 0.00 54.79 53.18 1a49 n ASP 3777Cb 0.56 -2.83 -0.01 0.00 -0.64 0.00 0.00 41.12 38.20 1a49 n ASP 3777CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a49 n GLY 3778N -1.73 0.56 0.05 0.44 0.00 -1.21 -4.72 105.19 98.58 1a49 n GLY 3778Ca -0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1a49 n GLY 3778CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a49 h LEU 3779N 0.00 0.03 -8.71 0.99 5.85 0.12 -3.43 115.31 110.16 1a49 h LEU 3779Ca -0.05 -0.22 -0.66 0.00 0.84 0.00 0.00 57.88 57.80 1a49 h LEU 3779Cb 0.29 -0.01 -0.25 0.00 0.37 0.00 0.00 40.66 41.06 1a49 h LEU 3779CO 0.07 0.24 -0.74 -0.63 -0.34 0.00 0.00 178.44 177.04 1a49 s ILE 3780N -5.32 3.26 -0.12 4.05 1.01 0.24 -4.84 121.20 119.49 1a49 s ILE 3780Ca -0.14 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1a49 s ILE 3780Cb 0.04 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1a49 s ILE 3780CO 0.67 0.53 -0.14 -0.94 0.00 0.00 0.00 174.94 175.06 1a49 s SER 3781N 0.20 3.99 -0.05 3.58 1.04 -1.03 0.35 113.70 121.79 1a49 s SER 3781Ca -0.07 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.11 1a49 s SER 3781Cb -0.15 -1.48 -0.01 0.00 0.10 0.00 0.00 66.02 64.48 1a49 s SER 3781CO 0.05 0.19 -0.22 -0.76 0.98 0.00 0.00 173.24 173.48 1a49 s LEU 3782N 0.18 2.02 -0.14 2.42 1.02 0.41 0.55 118.68 125.14 1a49 s LEU 3782Ca -0.08 -0.45 -0.07 0.00 0.02 0.00 0.00 54.13 53.55 1a49 s LEU 3782Cb -0.15 -1.22 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 1a49 s LEU 3782CO 0.05 0.22 0.11 -1.58 0.02 0.00 0.00 176.35 175.17 1a49 s GLN 3783N -0.14 3.59 -0.28 1.70 0.74 0.27 0.17 119.66 125.71 1a49 s GLN 3783Ca -0.02 -0.21 -0.29 0.00 0.05 0.00 0.00 55.36 54.88 1a49 s GLN 3783Cb -0.12 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 1a49 s GLN 3783CO 0.03 0.61 1.44 0.08 -0.55 0.00 0.00 175.29 176.90 1a49 s VAL 3784N -0.56 3.93 -0.14 1.34 1.01 0.73 -0.19 120.40 126.51 1a49 s VAL 3784Ca 0.12 1.04 0.16 0.00 0.00 0.00 0.00 61.98 63.30 1a49 s VAL 3784Cb -0.12 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.06 1a49 s VAL 3784CO 0.02 -0.43 0.12 0.29 0.00 0.00 0.00 175.10 175.11 1a49 n LYS 3785N 7.53 1.07 -3.62 2.72 4.76 0.13 0.02 118.16 130.77 1a49 n LYS 3785Ca 0.17 -0.04 -0.03 0.00 -2.87 0.00 0.00 58.31 55.54 1a49 n LYS 3785Cb 0.46 -1.44 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 1a49 n LYS 3785CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a49 s GLN 3786N -2.57 0.49 -0.01 1.97 0.74 0.25 -4.86 119.66 115.67 1a49 s GLN 3786Ca -0.08 0.91 -0.07 0.00 0.05 0.00 0.00 55.36 56.16 1a49 s GLN 3786Cb 0.06 0.19 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 1a49 s GLN 3786CO 0.72 -0.11 0.26 -1.59 -0.55 0.00 0.00 175.29 174.02 1a49 s LYS 3787N 1.66 3.59 0.00 1.67 -2.85 -1.26 0.42 119.74 122.96 1a49 s LYS 3787Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1a49 s LYS 3787Cb -0.05 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1a49 s LYS 3787CO -0.17 0.67 0.00 0.41 0.10 0.00 0.00 175.35 176.36 1a49 n GLY 3788N 1.30 0.57 0.00 0.59 0.00 1.44 -4.89 105.19 104.19 1a49 n GLY 3788Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1a49 n GLY 3788CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a49 n PRO 3789N 0.00 5.15 0.00 1.61 -0.04 -1.26 -4.72 135.00 135.74 1a49 n PRO 3789Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1a49 n PRO 3789Cb 0.00 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1a49 n PRO 3789CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a49 n ASP 3790N -0.11 1.04 -3.64 3.54 2.03 -1.26 -5.03 116.55 113.11 1a49 n ASP 3790Ca 0.00 -1.16 -0.02 0.00 0.52 0.00 0.00 54.79 54.13 1a49 n ASP 3790Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1a49 n ASP 3790CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1a49 s PHE 3791N -0.16 -0.06 -0.02 -0.67 -0.71 -1.26 -1.26 117.98 113.84 1a49 s PHE 3791Ca 0.00 -0.22 0.06 0.00 -1.04 0.00 0.00 56.93 55.72 1a49 s PHE 3791Cb 0.00 0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 42.43 1a49 s PHE 3791CO 0.00 -0.74 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.45 1a49 s LEU 3792N -3.07 2.03 -0.38 -1.99 1.02 -0.46 0.42 118.68 116.26 1a49 s LEU 3792Ca 0.15 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.90 1a49 s LEU 3792Cb -0.00 -0.96 0.07 0.00 0.02 0.00 0.00 46.19 45.31 1a49 s LEU 3792CO 0.02 0.23 0.18 -0.69 0.02 0.00 0.00 176.35 176.10 1a49 s VAL 3793N -0.43 3.84 0.40 -1.59 1.01 1.40 0.10 120.40 125.14 1a49 s VAL 3793Ca 0.07 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1a49 s VAL 3793Cb -0.07 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1a49 s VAL 3793CO -0.01 -0.39 0.30 0.35 0.00 0.00 0.00 175.10 175.36 1a49 n THR 3794N 4.81 0.00 -4.04 3.92 -2.24 -0.68 0.86 114.28 116.91 1a49 n THR 3794Ca -0.10 -1.60 -0.13 0.00 -2.27 0.00 0.00 64.05 59.95 1a49 n THR 3794Cb 0.43 -0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 1a49 n THR 3794CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a49 s GLU 3795N -3.66 0.33 0.04 -0.78 2.12 0.74 -2.74 118.70 114.74 1a49 s GLU 3795Ca 0.23 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.91 1a49 s GLU 3795Cb -0.02 -0.20 -0.06 0.00 0.26 0.00 0.00 34.13 34.11 1a49 s GLU 3795CO 0.15 0.04 1.35 0.08 -0.54 0.00 0.00 175.26 176.34 1a49 s VAL 3796N -0.61 3.68 -0.00 3.70 1.01 0.75 -0.57 120.40 128.37 1a49 s VAL 3796Ca -0.04 1.14 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 1a49 s VAL 3796Cb -0.05 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1a49 s VAL 3796CO -0.00 0.04 -0.00 1.21 0.00 0.00 0.00 175.10 176.34 1a49 n GLU 3797N 4.71 0.01 -3.17 2.72 2.13 0.19 0.03 120.64 127.26 1a49 n GLU 3797Ca 0.12 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.51 1a49 n GLU 3797Cb 0.44 -0.45 -0.07 0.00 0.27 0.00 0.00 31.44 31.63 1a49 n GLU 3797CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1a49 s ASN 3798N -4.16 6.29 0.66 4.31 0.02 -1.13 -4.52 114.94 116.43 1a49 s ASN 3798Ca -0.00 -0.38 -0.11 0.00 -1.02 0.00 0.00 52.86 51.35 1a49 s ASN 3798Cb 0.00 -2.29 -0.01 0.00 0.02 0.00 0.00 41.25 38.97 1a49 s ASN 3798CO 0.01 -0.70 1.05 -0.83 0.02 0.00 0.00 177.10 176.65 1a49 s GLY 3799N 1.93 1.66 0.00 0.66 0.00 -1.26 -2.45 107.32 107.85 1a49 s GLY 3799Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1a49 s GLY 3799CO 0.17 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1a49 n GLY 3800N -2.41 -0.92 3.51 0.20 0.00 0.31 -4.88 105.19 101.01 1a49 n GLY 3800Ca 0.07 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1a49 n GLY 3800CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a49 s PHE 3801N -2.00 2.54 -0.04 1.61 0.08 -1.25 0.21 117.98 119.13 1a49 s PHE 3801Ca 0.00 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 1a49 s PHE 3801Cb 0.00 -4.41 -0.05 0.00 -0.57 0.00 0.00 43.02 37.99 1a49 s PHE 3801CO 0.00 -1.77 1.45 -1.17 -0.10 0.00 0.00 175.22 173.63 1a49 s LEU 3802N 4.75 4.30 0.00 -0.37 2.96 1.38 -4.80 118.68 126.89 1a49 s LEU 3802Ca 0.30 2.09 0.00 0.00 -0.22 0.00 0.00 54.13 56.29 1a49 s LEU 3802Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1a49 s LEU 3802CO 0.14 -0.78 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 1a49 n GLY 3803N 3.77 2.15 3.58 7.98 0.00 -1.26 -0.62 105.19 120.79 1a49 n GLY 3803Ca 0.14 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1a49 n GLY 3803CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a49 s SER 3804N -0.96 5.53 -0.70 1.61 0.01 -1.26 -4.57 113.70 113.35 1a49 s SER 3804Ca 0.00 -0.00 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1a49 s SER 3804Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1a49 s SER 3804CO 0.00 0.10 0.59 0.29 0.41 0.00 0.00 173.24 174.63 1a49 n LYS 3805N 4.03 -3.92 -3.02 12.44 5.02 -0.92 -5.03 118.16 126.75 1a49 n LYS 3805Ca -0.16 0.47 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 1a49 n LYS 3805Cb 0.52 -4.39 -0.05 0.00 -0.02 0.00 0.00 35.03 31.09 1a49 n LYS 3805CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a49 s LYS 3806N -5.04 3.92 0.59 1.97 -0.14 -1.26 -4.62 119.74 115.15 1a49 s LYS 3806Ca 0.09 0.60 -0.19 0.00 -1.36 0.00 0.00 55.97 55.11 1a49 s LYS 3806Cb -0.04 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 1a49 s LYS 3806CO 0.41 0.08 1.18 0.20 -0.76 0.00 0.00 175.35 176.46 1a49 s GLY 3807N -2.62 2.67 -0.05 -3.33 0.00 -1.26 -1.81 107.32 100.92 1a49 s GLY 3807Ca 0.53 0.94 0.05 0.00 0.00 0.00 0.00 44.72 46.24 1a49 s GLY 3807CO 0.23 1.32 -0.20 0.14 0.00 0.00 0.00 173.10 174.59 1a49 s VAL 3808N -1.68 1.67 -0.07 1.40 1.01 0.00 -0.66 120.40 122.07 1a49 s VAL 3808Ca 0.76 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1a49 s VAL 3808Cb -0.28 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1a49 s VAL 3808CO 0.32 0.47 -0.23 0.20 0.00 0.00 0.00 175.10 175.86 1a49 s ASN 3809N -0.05 2.91 -0.58 3.32 0.01 0.98 -4.45 114.94 117.09 1a49 s ASN 3809Ca -0.04 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.68 1a49 s ASN 3809Cb -0.12 -0.95 0.27 0.00 0.41 0.00 0.00 41.25 40.86 1a49 s ASN 3809CO 0.03 0.21 0.75 0.18 -1.51 0.00 0.00 177.10 176.75 1a49 n LEU 3810N 3.14 3.22 -4.63 0.60 4.32 -1.26 -2.19 117.00 120.20 1a49 n LEU 3810Ca -0.18 -5.36 -0.45 0.00 -0.02 0.00 0.00 56.01 50.00 1a49 n LEU 3810Cb 0.52 -0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 41.90 1a49 n LEU 3810CO 0.26 2.13 1.67 -0.81 -1.22 0.00 0.00 177.39 179.42 1a49 n PRO 3811N 0.71 2.21 -0.25 3.23 -0.04 -1.26 -1.21 135.00 138.39 1a49 n PRO 3811Ca 0.29 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 1a49 n PRO 3811Cb 0.44 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1a49 n PRO 3811CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a49 n GLY 3812N 5.09 0.85 3.78 0.55 0.00 -1.26 -4.99 105.19 109.21 1a49 n GLY 3812Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 1a49 n GLY 3812CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 3813N -2.04 3.58 -0.91 4.61 0.00 -0.35 -5.07 121.76 121.58 1a49 s ALA 3813Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.20 1a49 s ALA 3813Cb 0.00 -1.03 0.24 0.00 0.00 0.00 0.00 23.12 22.32 1a49 s ALA 3813CO 0.00 0.12 0.87 0.00 0.00 0.00 0.00 175.76 176.74 1a49 s ALA 3814N -2.29 4.28 -0.85 0.00 0.00 -1.26 -5.02 121.76 116.62 1a49 s ALA 3814Ca 0.37 -3.50 -0.24 0.00 0.00 0.00 0.00 51.96 48.59 1a49 s ALA 3814Cb -0.06 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1a49 s ALA 3814CO 0.24 -2.25 1.28 0.08 0.00 0.00 0.00 175.76 175.11 1a49 s VAL 3815N -0.33 3.98 -1.11 0.00 1.01 -1.26 -4.87 120.40 117.82 1a49 s VAL 3815Ca 0.22 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1a49 s VAL 3815Cb -0.10 -4.92 -0.13 0.00 0.00 0.00 0.00 36.38 31.22 1a49 s VAL 3815CO -0.09 -1.80 2.02 -0.62 0.00 0.00 0.00 175.10 174.62 1a49 s ASP 3816N 4.17 4.44 0.03 3.32 2.15 -1.26 -4.81 116.67 124.70 1a49 s ASP 3816Ca 0.37 -1.27 0.05 0.00 0.43 0.00 0.00 52.55 52.13 1a49 s ASP 3816Cb -0.06 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.95 1a49 s ASP 3816CO 0.03 -3.67 -0.15 -0.76 -0.17 0.00 0.00 175.17 170.45 1a49 s LEU 3817N 13.17 2.13 0.59 -1.34 1.43 -1.26 -5.09 118.68 128.30 1a49 s LEU 3817Ca 0.74 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 1a49 s LEU 3817Cb -0.03 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1a49 s LEU 3817CO 0.13 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.75 1a49 s PRO 3818N -0.91 3.20 -0.00 1.29 0.04 -1.26 -4.97 135.00 132.38 1a49 s PRO 3818Ca 0.04 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 1a49 s PRO 3818Cb -0.07 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.30 1a49 s PRO 3818CO 0.01 -0.94 1.19 0.00 0.04 0.00 0.00 177.00 177.29 1a49 h ALA 3819N 0.70 -0.31 -3.11 8.56 0.00 -1.99 -3.37 119.26 119.75 1a49 h ALA 3819Ca -0.48 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 53.57 1a49 h ALA 3819Cb 1.25 0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.84 1a49 h ALA 3819CO 0.56 -0.47 -0.81 0.08 0.00 0.00 0.00 179.25 178.61 1a49 s VAL 3820N -4.43 2.59 0.15 0.00 1.01 -1.26 -4.51 120.40 113.95 1a49 s VAL 3820Ca -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1a49 s VAL 3820Cb 0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1a49 s VAL 3820CO 0.55 0.50 0.29 -0.94 0.00 0.00 0.00 175.10 175.51 1a49 s SER 3821N 1.12 6.35 0.30 3.32 1.04 -1.26 -4.94 113.70 119.64 1a49 s SER 3821Ca 0.01 0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.73 1a49 s SER 3821Cb -0.14 -1.94 0.76 0.00 0.10 0.00 0.00 66.02 64.80 1a49 s SER 3821CO -0.05 0.05 1.76 -0.08 0.98 0.00 0.00 173.24 175.90 1a49 h GLU 3822N 2.27 0.67 -0.22 4.02 4.57 -1.99 1.16 114.58 125.07 1a49 h GLU 3822Ca -0.48 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1a49 h GLU 3822Cb 1.19 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1a49 h GLU 3822CO 0.70 0.45 0.06 -0.22 -1.18 0.00 0.00 179.01 178.81 1a49 h LYS 3823N 0.69 0.34 -0.18 1.92 3.64 -2.00 -1.30 116.57 119.69 1a49 h LYS 3823Ca 0.59 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.93 1a49 h LYS 3823Cb 0.97 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.67 1a49 h LYS 3823CO -0.41 0.45 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.37 1a49 h ASP 3824N 0.17 -1.30 -0.81 4.20 3.32 0.70 -0.16 116.42 122.54 1a49 h ASP 3824Ca 0.07 0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.45 1a49 h ASP 3824Cb 0.26 0.54 -0.15 0.00 0.22 0.00 0.00 39.33 40.20 1a49 h ASP 3824CO -0.00 -0.41 -0.23 0.40 -1.72 0.00 0.00 179.24 177.28 1a49 h ILE 3825N -0.45 0.17 -0.38 0.35 2.04 0.11 0.81 117.51 120.16 1a49 h ILE 3825Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1a49 h ILE 3825Cb 0.61 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1a49 h ILE 3825CO -0.42 0.00 0.12 1.56 0.00 0.00 0.00 178.15 179.41 1a49 h GLN 3826N -0.02 0.26 -0.57 2.37 1.08 0.15 0.22 115.11 118.61 1a49 h GLN 3826Ca 0.37 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.46 1a49 h GLN 3826Cb 0.60 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1a49 h GLN 3826CO -0.84 0.17 -0.04 -0.44 -0.95 0.00 0.00 178.83 176.74 1a49 h ASP 3827N 0.27 0.99 -0.65 1.46 3.32 0.03 0.10 116.42 121.95 1a49 h ASP 3827Ca 0.17 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1a49 h ASP 3827Cb 0.16 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1a49 h ASP 3827CO -0.19 1.07 0.09 -0.07 -1.72 0.00 0.00 179.24 178.42 1a49 h LEU 3828N 0.92 1.05 -0.91 1.55 3.38 0.85 0.27 115.31 122.42 1a49 h LEU 3828Ca 0.16 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1a49 h LEU 3828Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1a49 h LEU 3828CO 0.03 1.05 -0.35 0.11 0.09 0.00 0.00 178.44 179.37 1a49 h LYS 3829N 1.02 0.38 -0.23 1.13 1.79 0.43 -1.98 116.57 119.10 1a49 h LYS 3829Ca 0.20 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.44 1a49 h LYS 3829Cb 0.45 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1a49 h LYS 3829CO 0.01 0.68 -0.13 0.35 -1.08 0.00 0.00 179.45 179.28 1a49 h PHE 3830N 0.32 0.41 0.30 -1.35 3.57 -0.43 -1.89 116.94 117.87 1a49 h PHE 3830Ca 0.04 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1a49 h PHE 3830Cb 0.77 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1a49 h PHE 3830CO 0.02 0.52 -0.26 0.78 -2.23 0.00 0.00 178.31 177.13 1a49 h GLY 3831N 0.88 -0.61 0.24 2.40 0.00 -0.21 0.89 103.07 106.65 1a49 h GLY 3831Ca 0.07 0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.73 1a49 h GLY 3831CO 0.03 -0.24 -0.36 -2.08 0.00 0.00 0.00 176.54 173.88 1a49 h VAL 3832N -0.58 0.24 -0.96 4.60 2.07 -1.20 0.82 116.25 121.23 1a49 h VAL 3832Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1a49 h VAL 3832Cb 0.52 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1a49 h VAL 3832CO -0.03 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.83 1a49 h GLU 3833N -0.52 1.01 0.00 1.57 5.08 -0.91 0.32 114.58 121.13 1a49 h GLU 3833Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1a49 h GLU 3833Cb 0.60 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1a49 h GLU 3833CO -0.29 0.67 0.00 1.04 -1.00 0.00 0.00 179.01 179.43 1a49 n GLN 3834N -4.59 0.81 -3.63 2.33 1.13 0.31 -4.91 117.38 108.82 1a49 n GLN 3834Ca 0.16 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.94 1a49 n GLN 3834Cb 0.25 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.14 1a49 n GLN 3834CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a49 n ASP 3835N -1.02 -5.54 -4.36 1.08 -0.08 0.11 -4.97 116.55 101.77 1a49 n ASP 3835Ca 0.20 -0.93 -0.29 0.00 -1.51 0.00 0.00 54.79 52.25 1a49 n ASP 3835Cb 0.10 -3.42 0.17 0.00 2.34 0.00 0.00 41.12 40.31 1a49 n ASP 3835CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1a49 s VAL 3836N -3.38 1.91 -0.17 5.18 -7.23 -0.94 -4.97 120.40 110.80 1a49 s VAL 3836Ca 0.40 0.00 0.17 0.00 -1.81 0.00 0.00 61.98 60.74 1a49 s VAL 3836Cb -0.14 -2.80 -0.24 0.00 0.56 0.00 0.00 36.38 33.76 1a49 s VAL 3836CO 0.85 0.00 0.11 0.47 -0.31 0.00 0.00 175.10 176.22 1a49 n ASP 3837N -3.95 0.28 -3.63 4.85 8.00 0.89 -4.88 116.55 118.11 1a49 n ASP 3837Ca 0.11 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 1a49 n ASP 3837Cb 0.59 1.07 -0.03 0.00 -0.02 0.00 0.00 41.12 42.74 1a49 n ASP 3837CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a49 s MET 3838N -2.56 1.42 -0.08 -1.24 0.23 -1.15 -1.86 119.30 114.06 1a49 s MET 3838Ca -0.09 -0.72 0.05 0.00 -1.03 0.00 0.00 55.69 53.89 1a49 s MET 3838Cb 0.06 0.57 -0.00 0.00 -1.53 0.00 0.00 34.83 33.93 1a49 s MET 3838CO 0.79 -0.62 -0.23 0.08 -2.03 0.00 0.00 175.02 173.02 1a49 s VAL 3839N -3.83 1.91 -0.79 5.16 1.01 0.30 -2.31 120.40 121.86 1a49 s VAL 3839Ca 0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1a49 s VAL 3839Cb -0.02 -1.65 0.21 0.00 0.00 0.00 0.00 36.38 34.92 1a49 s VAL 3839CO -0.05 0.53 0.72 -0.36 0.00 0.00 0.00 175.10 175.94 1a49 s PHE 3840N 0.19 3.71 -0.52 5.22 0.08 -0.82 0.25 117.98 126.08 1a49 s PHE 3840Ca -0.12 -2.06 -0.28 0.00 0.12 0.00 0.00 56.93 54.58 1a49 s PHE 3840Cb -0.16 -3.74 0.02 0.00 -0.57 0.00 0.00 43.02 38.57 1a49 s PHE 3840CO 0.06 -0.97 1.34 0.00 -0.10 0.00 0.00 175.22 175.55 1a49 s ALA 3841N 0.17 2.93 0.65 5.36 0.00 -0.08 -2.44 121.76 128.35 1a49 s ALA 3841Ca 0.17 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 1a49 s ALA 3841Cb -0.12 -4.03 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 1a49 s ALA 3841CO -0.08 -2.70 1.24 -1.12 0.00 0.00 0.00 175.76 173.11 1a49 s SER 3842N 3.85 4.71 -1.47 0.00 0.01 -1.26 -1.34 113.70 118.19 1a49 s SER 3842Ca 0.52 2.47 -0.11 0.00 1.31 0.00 0.00 55.95 60.13 1a49 s SER 3842Cb -0.10 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.59 1a49 s SER 3842CO 0.28 -1.93 0.81 0.49 0.41 0.00 0.00 173.24 173.30 1a49 n PHE 3843N -2.01 -2.13 -1.97 2.43 3.01 -1.25 -4.69 117.46 110.84 1a49 n PHE 3843Ca 0.14 0.74 -0.42 0.00 1.01 0.00 0.00 57.45 58.92 1a49 n PHE 3843Cb 0.49 -3.79 -0.03 0.00 -0.01 0.00 0.00 39.48 36.14 1a49 n PHE 3843CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1a49 s ILE 3844N -3.19 2.77 0.00 4.37 -1.09 -1.10 -4.88 121.20 118.08 1a49 s ILE 3844Ca 0.55 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1a49 s ILE 3844Cb -0.28 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1a49 s ILE 3844CO 0.68 0.04 0.00 0.54 -1.23 0.00 0.00 174.94 174.97 1a49 n ARG 3845N 4.07 2.90 -3.67 2.79 1.74 -1.26 -4.12 116.66 119.10 1a49 n ARG 3845Ca 0.14 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.17 1a49 n ARG 3845Cb 0.39 -0.77 -0.01 0.00 -1.02 0.00 0.00 32.46 31.05 1a49 n ARG 3845CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a49 s LYS 3846N -1.50 1.00 0.38 5.56 -2.85 -1.26 -4.43 119.74 116.64 1a49 s LYS 3846Ca 0.00 -0.51 0.15 0.00 -1.00 0.00 0.00 55.97 54.61 1a49 s LYS 3846Cb 0.00 0.37 0.74 0.00 -2.06 0.00 0.00 37.83 36.88 1a49 s LYS 3846CO 0.00 -0.46 1.81 0.00 0.10 0.00 0.00 175.35 176.80 1a49 h ALA 3847N 2.00 1.23 -0.39 0.59 0.00 -1.87 -2.50 119.26 118.33 1a49 h ALA 3847Ca -0.24 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.44 1a49 h ALA 3847Cb 1.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a49 h ALA 3847CO 0.27 0.47 0.28 0.00 0.00 0.00 0.00 179.25 180.27 1a49 h ALA 3848N 1.62 2.34 -0.10 0.00 0.00 -1.96 0.91 119.26 122.07 1a49 h ALA 3848Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 3848Cb 0.73 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1a49 h ALA 3848CO 0.05 -0.45 -0.01 -0.44 0.00 0.00 0.00 179.25 178.40 1a49 h ASP 3849N 0.02 0.18 -0.06 0.00 5.19 -1.86 -1.07 116.42 118.82 1a49 h ASP 3849Ca 0.18 -0.34 0.04 0.00 -0.62 0.00 0.00 57.03 56.29 1a49 h ASP 3849Cb 0.71 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1a49 h ASP 3849CO -0.01 0.48 -0.25 0.58 -3.12 0.00 0.00 179.24 176.93 1a49 h VAL 3850N -0.12 0.42 -0.94 -1.35 2.07 -1.06 -0.92 116.25 114.36 1a49 h VAL 3850Ca 0.03 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.76 1a49 h VAL 3850Cb 0.39 0.42 -0.12 0.00 -1.52 0.00 0.00 31.29 30.47 1a49 h VAL 3850CO 0.01 0.00 0.50 0.45 0.02 0.00 0.00 177.57 178.55 1a49 h HIS 3851N -0.35 0.86 0.08 1.57 3.86 -0.71 -1.07 115.15 119.38 1a49 h HIS 3851Ca 0.08 0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1a49 h HIS 3851Cb 0.46 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1a49 h HIS 3851CO -0.31 0.07 -0.30 0.93 0.86 0.00 0.00 177.93 179.18 1a49 h GLU 3852N 0.55 -0.48 -0.61 2.45 5.08 0.17 -0.31 114.58 121.43 1a49 h GLU 3852Ca 0.58 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 59.03 1a49 h GLU 3852Cb 1.02 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1a49 h GLU 3852CO -0.46 -0.32 0.31 0.28 -1.00 0.00 0.00 179.01 177.82 1a49 h VAL 3853N -0.49 0.91 -0.93 3.13 2.07 -0.74 0.05 116.25 120.25 1a49 h VAL 3853Ca 0.04 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1a49 h VAL 3853Cb 0.54 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1a49 h VAL 3853CO -0.20 0.10 0.56 -0.09 0.02 0.00 0.00 177.57 177.96 1a49 h ARG 3854N 0.56 0.88 -0.00 1.57 9.65 -0.66 0.29 114.38 126.67 1a49 h ARG 3854Ca 0.28 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.96 1a49 h ARG 3854Cb 0.23 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1a49 h ARG 3854CO -0.21 0.58 -0.71 -0.22 2.80 0.00 0.00 179.97 182.22 1a49 h LYS 3855N 0.90 0.02 0.03 0.20 3.64 0.72 -1.75 116.57 120.34 1a49 h LYS 3855Ca 0.46 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1a49 h LYS 3855Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1a49 h LYS 3855CO -0.26 0.72 -0.01 0.82 -2.27 0.00 0.00 179.45 178.44 1a49 h ILE 3856N 0.02 1.32 -0.85 2.00 1.08 -0.12 -3.10 117.51 117.86 1a49 h ILE 3856Ca -0.01 -1.17 0.13 0.00 -0.39 0.00 0.00 64.86 63.43 1a49 h ILE 3856Cb 1.25 2.10 -0.09 0.00 -3.07 0.00 0.00 36.82 37.01 1a49 h ILE 3856CO 0.09 0.29 0.46 -0.07 -0.69 0.00 0.00 178.15 178.24 1a49 h LEU 3857N -0.55 0.60 0.00 1.44 3.38 -1.00 -3.47 115.31 115.71 1a49 h LEU 3857Ca -0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a49 h LEU 3857Cb 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1a49 h LEU 3857CO 0.01 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.43 1a49 n GLY 3858N -1.32 0.73 0.23 0.83 0.00 -0.66 -0.87 105.19 104.13 1a49 n GLY 3858Ca 0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 1a49 n GLY 3858CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a49 h GLU 3859N 0.00 0.49 0.00 1.61 4.39 -1.88 0.46 114.58 119.65 1a49 h GLU 3859Ca 0.00 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1a49 h GLU 3859Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1a49 h GLU 3859CO 0.00 0.32 -0.19 0.87 -1.16 0.00 0.00 179.01 178.86 1a49 h LYS 3860N 0.51 0.00 -0.73 2.33 1.57 -1.95 -2.77 116.57 115.52 1a49 h LYS 3860Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1a49 h LYS 3860Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1a49 h LYS 3860CO -0.24 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 1a49 n GLY 3861N -0.98 2.55 0.34 3.86 0.00 0.13 -4.72 105.19 106.36 1a49 n GLY 3861Ca -0.02 -0.81 0.19 0.00 0.00 0.00 0.00 46.02 45.38 1a49 n GLY 3861CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a49 n LYS 3862N 1.58 -0.07 0.00 1.61 5.02 0.59 -1.05 118.16 125.83 1a49 n LYS 3862Ca 0.25 1.46 0.14 0.00 -2.02 0.00 0.00 58.31 58.14 1a49 n LYS 3862Cb 0.68 -2.40 0.54 0.00 -0.02 0.00 0.00 35.03 33.83 1a49 n LYS 3862CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1a49 n ASN 3863N -5.43 1.38 -4.77 4.39 5.03 -1.26 -4.92 115.26 109.68 1a49 n ASN 3863Ca 0.27 -1.43 -0.38 0.00 0.87 0.00 0.00 54.58 53.90 1a49 n ASN 3863Cb 0.90 0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.63 1a49 n ASN 3863CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a49 s ILE 3864N -2.03 3.60 -0.09 2.41 1.01 -0.21 -4.99 121.20 120.91 1a49 s ILE 3864Ca 0.38 1.42 -0.14 0.00 0.00 0.00 0.00 60.65 62.31 1a49 s ILE 3864Cb 0.21 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1a49 s ILE 3864CO 0.35 0.20 0.35 -0.54 0.00 0.00 0.00 174.94 175.30 1a49 s LYS 3865N -1.94 4.06 -0.35 2.79 -0.14 -0.78 -4.91 119.74 118.48 1a49 s LYS 3865Ca 0.51 0.26 -0.11 0.00 -1.36 0.00 0.00 55.97 55.26 1a49 s LYS 3865Cb -0.27 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.56 1a49 s LYS 3865CO 0.35 0.45 0.20 0.42 -0.76 0.00 0.00 175.35 176.00 1a49 s ILE 3866N -0.24 4.72 -0.41 2.17 1.01 -1.26 0.11 121.20 127.31 1a49 s ILE 3866Ca 0.21 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1a49 s ILE 3866Cb -0.15 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1a49 s ILE 3866CO 0.09 -0.09 0.28 -0.63 0.00 0.00 0.00 174.94 174.59 1a49 s ILE 3867N 1.61 5.00 -0.02 2.92 -1.09 0.14 0.11 121.20 129.87 1a49 s ILE 3867Ca 0.04 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.36 1a49 s ILE 3867Cb -0.18 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1a49 s ILE 3867CO 0.07 -0.32 1.02 -0.44 -1.23 0.00 0.00 174.94 174.04 1a49 s SER 3868N 1.75 7.30 -0.33 3.58 0.01 -0.05 -0.90 113.70 125.05 1a49 s SER 3868Ca 0.04 1.68 -0.23 0.00 1.31 0.00 0.00 55.95 58.75 1a49 s SER 3868Cb -0.20 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1a49 s SER 3868CO 0.08 -0.33 0.78 -0.54 0.41 0.00 0.00 173.24 173.64 1a49 s LYS 3869N 1.26 3.87 -0.77 12.44 1.02 -0.45 -1.36 119.74 135.75 1a49 s LYS 3869Ca 0.52 0.46 -0.26 0.00 0.02 0.00 0.00 55.97 56.71 1a49 s LYS 3869Cb -0.22 -3.76 0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1a49 s LYS 3869CO 0.26 -0.75 1.26 0.42 -0.92 0.00 0.00 175.35 175.62 1a49 s ILE 3870N 3.01 3.84 0.00 2.17 -1.09 -0.14 -2.71 121.20 126.27 1a49 s ILE 3870Ca 0.32 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1a49 s ILE 3870Cb -0.14 -4.91 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 1a49 s ILE 3870CO 0.14 -1.81 0.78 -1.84 -1.23 0.00 0.00 174.94 170.98 1a49 n GLU 3871N 9.06 1.72 -4.20 2.79 0.28 -1.26 -3.09 120.64 125.95 1a49 n GLU 3871Ca 0.06 -1.08 -0.14 0.00 -0.16 0.00 0.00 57.16 55.83 1a49 n GLU 3871Cb 0.49 -0.85 -0.08 0.00 1.43 0.00 0.00 31.44 32.43 1a49 n GLU 3871CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a49 s ASN 3872N -0.60 0.71 0.46 -1.84 6.03 -1.26 -3.28 114.94 115.16 1a49 s ASN 3872Ca 0.00 -1.48 0.12 0.00 -1.03 0.00 0.00 52.86 50.46 1a49 s ASN 3872Cb 0.00 0.48 1.05 0.00 -3.03 0.00 0.00 41.25 39.75 1a49 s ASN 3872CO 0.00 -0.98 2.09 -0.74 -2.03 0.00 0.00 177.10 175.43 1a49 h HIS 3873N 2.38 0.29 -0.21 1.54 -0.00 -1.93 -1.68 115.15 115.54 1a49 h HIS 3873Ca -0.31 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 59.97 1a49 h HIS 3873Cb 1.24 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.54 1a49 h HIS 3873CO 0.92 0.18 -0.30 1.49 -0.00 0.00 0.00 177.93 180.22 1a49 h GLU 3874N 0.31 0.42 -0.33 5.26 4.81 -1.93 -2.51 114.58 120.62 1a49 h GLU 3874Ca 0.10 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1a49 h GLU 3874Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1a49 h GLU 3874CO -0.02 0.68 -0.22 0.78 -0.73 0.00 0.00 179.01 179.50 1a49 h GLY 3875N 1.05 0.68 0.73 1.92 0.00 -1.46 -1.75 103.07 104.25 1a49 h GLY 3875Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1a49 h GLY 3875CO 0.05 0.51 -0.09 -2.08 0.00 0.00 0.00 176.54 174.93 1a49 h VAL 3876N 0.56 0.92 -0.86 4.60 2.07 -1.31 -2.02 116.25 120.20 1a49 h VAL 3876Ca 0.08 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1a49 h VAL 3876Cb 0.67 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1a49 h VAL 3876CO 0.05 0.13 0.52 -0.09 0.02 0.00 0.00 177.57 178.19 1a49 h ARG 3877N -0.51 0.86 -0.65 1.57 2.43 -1.34 -2.31 114.38 114.42 1a49 h ARG 3877Ca -0.02 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1a49 h ARG 3877Cb 0.39 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1a49 h ARG 3877CO 0.04 0.57 0.16 0.54 -1.51 0.00 0.00 179.97 179.77 1a49 n ARG 3878N -4.68 4.06 -0.07 0.20 5.12 -0.67 -4.74 116.66 115.89 1a49 n ARG 3878Ca 0.14 -3.11 -0.14 0.00 -1.93 0.00 0.00 57.85 52.80 1a49 n ARG 3878Cb 0.25 -2.21 -0.09 0.00 -1.16 0.00 0.00 32.46 29.24 1a49 n ARG 3878CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1a49 h PHE 3879N 3.05 -1.62 -0.78 -1.55 3.57 -0.77 -2.34 116.94 116.50 1a49 h PHE 3879Ca 0.16 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.87 1a49 h PHE 3879Cb 2.16 0.74 -0.09 0.00 2.79 0.00 0.00 35.95 41.55 1a49 h PHE 3879CO 1.18 -0.52 0.34 -0.44 -2.23 0.00 0.00 178.31 176.65 1a49 h ASP 3880N -0.49 0.36 -0.47 0.41 3.32 -1.85 0.23 116.42 117.93 1a49 h ASP 3880Ca 0.06 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1a49 h ASP 3880Cb 0.64 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1a49 h ASP 3880CO -0.51 0.14 -0.06 1.05 -1.72 0.00 0.00 179.24 178.14 1a49 h GLU 3881N 0.50 0.87 -0.92 3.56 4.11 -1.90 0.34 114.58 121.14 1a49 h GLU 3881Ca 0.43 -0.31 -0.02 0.00 0.07 0.00 0.00 59.36 59.54 1a49 h GLU 3881Cb 0.64 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1a49 h GLU 3881CO -0.39 0.94 0.51 0.82 0.07 0.00 0.00 179.01 180.96 1a49 h ILE 3882N 0.71 1.26 0.10 -1.06 2.04 -0.36 -1.81 117.51 118.39 1a49 h ILE 3882Ca 0.12 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1a49 h ILE 3882Cb 0.59 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1a49 h ILE 3882CO 0.04 0.29 -0.11 0.25 0.00 0.00 0.00 178.15 178.62 1a49 h LEU 3883N 1.28 -0.28 -1.47 1.44 5.85 -0.13 0.66 115.31 122.66 1a49 h LEU 3883Ca 0.32 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1a49 h LEU 3883Cb 0.01 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1a49 h LEU 3883CO -0.05 -0.16 0.39 -0.08 -0.34 0.00 0.00 178.44 178.19 1a49 h GLU 3884N -0.23 0.67 0.00 1.25 4.57 -0.60 -2.82 114.58 117.42 1a49 h GLU 3884Ca 0.01 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.99 1a49 h GLU 3884Cb 0.23 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1a49 h GLU 3884CO -0.04 0.44 -0.84 0.00 -1.18 0.00 0.00 179.01 177.40 1a49 h ALA 3885N 1.66 0.59 -2.20 2.92 0.00 -0.63 -3.47 119.26 118.12 1a49 h ALA 3885Ca 0.24 -0.69 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 1a49 h ALA 3885Cb 0.08 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 17.91 1a49 h ALA 3885CO -0.06 0.89 0.13 -1.12 0.00 0.00 0.00 179.25 179.09 1a49 s SER 3886N -6.41 5.34 0.31 0.00 0.01 0.16 -4.92 113.70 108.19 1a49 s SER 3886Ca 0.02 0.49 0.23 0.00 1.31 0.00 0.00 55.95 58.00 1a49 s SER 3886Cb 0.08 -1.39 0.32 0.00 0.21 0.00 0.00 66.02 65.24 1a49 s SER 3886CO 0.78 -1.20 1.45 0.44 0.41 0.00 0.00 173.24 175.13 1a49 h ASP 3887N -0.21 0.00 -5.96 2.44 3.32 0.44 -3.48 116.42 112.97 1a49 h ASP 3887Ca -0.45 -0.02 0.39 0.00 0.02 0.00 0.00 57.03 56.97 1a49 h ASP 3887Cb 1.28 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.72 1a49 h ASP 3887CO 0.59 0.01 0.98 -0.83 -1.72 0.00 0.00 179.24 178.27 1a49 s GLY 3888N -4.11 -0.36 0.22 2.75 0.00 -1.13 -4.20 107.32 100.49 1a49 s GLY 3888Ca 0.05 0.57 0.09 0.00 0.00 0.00 0.00 44.72 45.43 1a49 s GLY 3888CO 0.70 3.14 -0.16 -0.42 0.00 0.00 0.00 173.10 176.36 1a49 s ILE 3889N -2.04 1.88 -0.13 0.90 -1.09 -0.62 -0.87 121.20 119.22 1a49 s ILE 3889Ca 0.23 -2.24 0.01 0.00 -2.23 0.00 0.00 60.65 56.42 1a49 s ILE 3889Cb 0.04 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.85 1a49 s ILE 3889CO -0.05 -0.55 -0.16 -0.32 -1.23 0.00 0.00 174.94 172.63 1a49 s MET 3890N -3.60 2.42 -1.16 2.79 1.75 -0.46 -1.80 119.30 119.24 1a49 s MET 3890Ca 0.24 -0.62 -0.19 0.00 -1.25 0.00 0.00 55.69 53.86 1a49 s MET 3890Cb -0.02 -2.07 0.08 0.00 2.84 0.00 0.00 34.83 35.66 1a49 s MET 3890CO 0.08 -0.11 1.54 0.08 -0.65 0.00 0.00 175.02 175.97 1a49 s VAL 3891N 1.10 4.24 -1.00 10.11 1.01 0.37 -0.97 120.40 135.27 1a49 s VAL 3891Ca -0.03 -1.61 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 1a49 s VAL 3891Cb -0.14 -5.07 0.06 0.00 0.00 0.00 0.00 36.38 31.23 1a49 s VAL 3891CO -0.05 -1.89 1.40 0.00 0.00 0.00 0.00 175.10 174.56 1a49 s ALA 3892N 3.95 2.80 -0.57 5.51 0.00 -1.18 -2.39 121.76 129.88 1a49 s ALA 3892Ca 0.48 -2.30 0.25 0.00 0.00 0.00 0.00 51.96 50.38 1a49 s ALA 3892Cb 0.01 -4.46 0.65 0.00 0.00 0.00 0.00 23.12 19.32 1a49 s ALA 3892CO -0.01 -3.52 1.71 0.00 0.00 0.00 0.00 175.76 173.94 1a49 h ARG 3893N 9.68 0.00 0.55 0.00 3.08 -1.84 -2.84 114.38 123.01 1a49 h ARG 3893Ca 0.18 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1a49 h ARG 3893Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1a49 h ARG 3893CO 1.38 0.00 -0.30 0.78 -1.07 0.00 0.00 179.97 180.77 1a49 h GLY 3894N 4.13 -0.89 0.93 0.04 0.00 -1.85 0.26 103.07 105.69 1a49 h GLY 3894Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1a49 h GLY 3894CO 0.00 -0.31 -0.06 -0.55 0.00 0.00 0.00 176.54 175.62 1a49 h ASP 3895N -0.78 -0.15 -0.74 0.19 3.32 -1.87 -2.72 116.42 113.67 1a49 h ASP 3895Ca -0.07 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.16 1a49 h ASP 3895Cb 0.61 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.09 1a49 h ASP 3895CO 0.10 -0.09 0.10 0.25 -1.72 0.00 0.00 179.24 177.88 1a49 h LEU 3896N -0.14 -0.14 -0.11 1.55 5.85 -1.48 0.27 115.31 121.11 1a49 h LEU 3896Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1a49 h LEU 3896Cb 0.13 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1a49 h LEU 3896CO -0.01 -0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.59 1a49 n GLY 3897N -1.38 -1.00 0.08 3.75 0.00 0.90 -1.15 105.19 106.39 1a49 n GLY 3897Ca 0.14 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1a49 n GLY 3897CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a49 n ILE 3898N -1.61 1.02 0.28 -0.61 0.13 0.44 -3.76 119.36 115.25 1a49 n ILE 3898Ca 0.03 -0.58 0.16 0.00 -1.10 0.00 0.00 62.75 61.26 1a49 n ILE 3898Cb 0.16 -0.73 0.76 0.00 -0.84 0.00 0.00 39.64 39.00 1a49 n ILE 3898CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a49 h GLU 3899N 0.00 0.00 -4.77 9.51 4.39 -0.26 -3.43 114.58 120.02 1a49 h GLU 3899Ca -0.40 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.03 1a49 h GLU 3899Cb 1.85 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.35 1a49 h GLU 3899CO 0.00 0.07 -0.68 0.96 -1.16 0.00 0.00 179.01 178.21 1a49 s ILE 3900N -3.92 0.72 0.34 3.13 -4.36 -0.30 -4.51 121.20 112.30 1a49 s ILE 3900Ca -0.01 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.12 1a49 s ILE 3900Cb 0.11 -1.95 -0.11 0.00 1.25 0.00 0.00 42.46 41.77 1a49 s ILE 3900CO 0.55 -0.63 1.38 -2.84 0.24 0.00 0.00 174.94 173.63 1a49 s PRO 3901N -3.87 4.26 0.52 0.37 0.02 -1.26 -4.44 135.00 130.60 1a49 s PRO 3901Ca 0.19 2.35 0.21 0.00 0.02 0.00 0.00 61.00 63.77 1a49 s PRO 3901Cb 0.05 -3.04 1.36 0.00 0.02 0.00 0.00 34.50 32.90 1a49 s PRO 3901CO 0.01 -0.32 2.12 0.00 -0.33 0.00 0.00 177.00 178.47 1a49 h ALA 3902N 3.37 1.69 0.00 -1.55 0.00 -1.92 0.99 119.26 121.84 1a49 h ALA 3902Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1a49 h ALA 3902Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a49 h ALA 3902CO 0.66 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.15 1a49 n GLU 3903N -4.17 0.09 0.01 0.00 0.00 -1.26 -2.76 120.64 112.54 1a49 n GLU 3903Ca -0.03 0.14 0.11 0.00 0.00 0.00 0.00 57.16 57.39 1a49 n GLU 3903Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.02 1a49 n GLU 3903CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a49 n LYS 3904N -1.43 0.31 -0.32 3.44 4.76 0.34 -4.61 118.16 120.65 1a49 n LYS 3904Ca 0.06 -0.06 0.15 0.00 -2.87 0.00 0.00 58.31 55.60 1a49 n LYS 3904Cb 0.21 -1.55 0.35 0.00 -1.84 0.00 0.00 35.03 32.19 1a49 n LYS 3904CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1a49 h VAL 3905N 0.00 0.48 0.00 -0.18 2.07 -1.52 0.43 116.25 117.54 1a49 h VAL 3905Ca 0.00 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1a49 h VAL 3905Cb 0.74 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1a49 h VAL 3905CO 0.00 0.08 -0.26 2.19 0.02 0.00 0.00 177.57 179.61 1a49 h PHE 3906N 0.46 0.00 -0.29 1.57 -0.00 -1.82 -1.12 116.94 115.74 1a49 h PHE 3906Ca 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 58.52 1a49 h PHE 3906Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.10 1a49 h PHE 3906CO -0.08 0.26 -0.01 -0.07 -0.00 0.00 0.00 178.31 178.40 1a49 h LEU 3907N 0.00 0.51 -0.66 2.10 3.38 -1.22 -2.36 115.31 117.06 1a49 h LEU 3907Ca -0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1a49 h LEU 3907Cb 0.55 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1a49 h LEU 3907CO 0.03 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.43 1a49 h ALA 3908N 0.82 0.87 -0.22 1.53 0.00 -1.23 -1.46 119.26 119.57 1a49 h ALA 3908Ca 0.08 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1a49 h ALA 3908Cb 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1a49 h ALA 3908CO 0.02 0.58 -0.09 0.37 0.00 0.00 0.00 179.25 180.13 1a49 h GLN 3909N 0.98 -0.05 -0.16 0.00 4.15 -1.10 0.66 115.11 119.60 1a49 h GLN 3909Ca 0.21 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.47 1a49 h GLN 3909Cb 0.35 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1a49 h GLN 3909CO 0.00 -0.03 -0.59 0.87 -1.93 0.00 0.00 178.83 177.15 1a49 h LYS 3910N -0.05 0.51 -0.20 1.69 1.57 -1.34 -0.26 116.57 118.49 1a49 h LYS 3910Ca 0.11 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1a49 h LYS 3910Cb 0.22 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1a49 h LYS 3910CO -0.26 0.95 -0.11 1.98 -0.57 0.00 0.00 179.45 181.45 1a49 h MET 3911N 0.38 0.43 -0.45 3.15 4.05 -1.00 -1.48 114.93 120.01 1a49 h MET 3911Ca -0.00 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1a49 h MET 3911Cb 1.14 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 1a49 h MET 3911CO 0.11 0.72 0.26 0.82 0.23 0.00 0.00 176.91 179.06 1a49 h ILE 3912N 0.13 1.15 0.22 1.77 2.04 0.42 -2.30 117.51 120.93 1a49 h ILE 3912Ca 0.04 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1a49 h ILE 3912Cb 0.60 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a49 h ILE 3912CO 0.03 0.15 -0.10 0.40 0.00 0.00 0.00 178.15 178.63 1a49 h ILE 3913N 0.59 0.80 -0.99 -0.67 2.04 -0.97 -0.99 117.51 117.33 1a49 h ILE 3913Ca 0.16 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1a49 h ILE 3913Cb 0.02 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1a49 h ILE 3913CO -0.03 0.02 0.63 1.23 0.00 0.00 0.00 178.15 180.00 1a49 h GLY 3914N -0.33 1.54 1.69 5.37 0.00 -1.25 0.14 103.07 110.23 1a49 h GLY 3914Ca -0.03 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1a49 h GLY 3914CO 0.05 0.25 -0.42 3.21 0.00 0.00 0.00 176.54 179.63 1a49 h ARG 3915N 1.07 0.34 -0.15 4.80 3.08 -1.13 0.19 114.38 122.58 1a49 h ARG 3915Ca 0.46 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 1a49 h ARG 3915Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1a49 h ARG 3915CO -0.21 0.70 -0.18 0.00 -1.07 0.00 0.00 179.97 179.21 1a49 h ASN 3917N 0.02 -0.66 -0.61 0.00 -0.26 -0.80 0.83 115.58 114.10 1a49 h ASN 3917Ca 0.02 0.14 0.18 0.00 -0.56 0.00 0.00 56.30 56.08 1a49 h ASN 3917Cb 0.73 0.35 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 1a49 h ASN 3917CO 0.04 -0.23 0.45 -0.09 -1.06 0.00 0.00 177.43 176.55 1a49 h ARG 3918N -0.14 0.00 0.00 0.81 2.43 -0.54 -0.18 114.38 116.75 1a49 h ARG 3918Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1a49 h ARG 3918Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1a49 h ARG 3918CO -0.44 0.00 -1.30 0.00 -1.51 0.00 0.00 179.97 176.72 1a49 n ALA 3919N -2.62 3.86 -1.42 2.80 0.00 0.38 -4.82 120.51 118.68 1a49 n ALA 3919Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1a49 n ALA 3919Cb 0.70 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a49 n ALA 3919CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a49 n GLY 3920N 1.42 0.67 3.43 0.00 0.00 0.26 -5.05 105.19 105.92 1a49 n GLY 3920Ca 0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1a49 n GLY 3920CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a49 s LYS 3921N -3.01 1.99 0.56 1.61 1.02 -0.39 -4.99 119.74 116.53 1a49 s LYS 3921Ca 0.00 -1.02 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 1a49 s LYS 3921Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1a49 s LYS 3921CO 0.00 0.53 1.34 -2.14 -0.92 0.00 0.00 175.35 174.16 1a49 s PRO 3922N -1.41 3.08 -0.03 -1.68 0.02 -1.26 -4.24 135.00 129.49 1a49 s PRO 3922Ca 0.14 2.20 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 1a49 s PRO 3922Cb -0.10 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.24 1a49 s PRO 3922CO 0.04 -1.22 0.06 0.54 -0.33 0.00 0.00 177.00 176.10 1a49 s VAL 3923N -1.32 -0.04 -0.12 3.83 0.11 -1.26 -1.58 120.40 120.01 1a49 s VAL 3923Ca 0.73 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.87 1a49 s VAL 3923Cb -0.40 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1a49 s VAL 3923CO 0.46 0.06 0.02 -0.63 -3.33 0.00 0.00 175.10 171.68 1a49 s ILE 3924N 0.74 4.46 -0.24 7.04 1.01 -0.74 0.19 121.20 133.66 1a49 s ILE 3924Ca -0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1a49 s ILE 3924Cb -0.08 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1a49 s ILE 3924CO -0.03 0.56 0.11 0.00 0.00 0.00 0.00 174.94 175.58 1a49 s ALA 3926N 1.29 1.94 0.02 0.00 0.00 -1.01 -2.18 121.76 121.82 1a49 s ALA 3926Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1a49 s ALA 3926Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1a49 s ALA 3926CO 0.05 -0.00 0.00 2.41 0.00 0.00 0.00 175.76 178.22 1a49 n THR 3927N -0.37 -2.72 -2.06 0.00 -1.04 -1.26 -3.48 114.28 103.35 1a49 n THR 3927Ca -0.08 0.31 -0.19 0.00 -2.04 0.00 0.00 64.05 62.04 1a49 n THR 3927Cb 0.61 -2.08 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 1a49 n THR 3927CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a49 n GLN 3928N 0.05 -1.47 0.08 -2.82 6.02 -1.26 -4.75 117.38 113.23 1a49 n GLN 3928Ca 0.00 1.03 -0.03 0.00 -0.01 0.00 0.00 57.00 57.99 1a49 n GLN 3928Cb 0.00 -5.51 0.20 0.00 1.02 0.00 0.00 30.24 25.96 1a49 n GLN 3928CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a49 h MET 3929N 0.00 0.29 -0.28 -1.09 2.86 -1.88 -3.29 114.93 111.55 1a49 h MET 3929Ca -0.43 -0.14 -0.23 0.00 -2.06 0.00 0.00 59.70 56.83 1a49 h MET 3929Cb 1.31 -0.00 -0.36 0.00 0.06 0.00 0.00 31.60 32.60 1a49 h MET 3929CO 0.56 0.66 -1.00 1.28 1.06 0.00 0.00 176.91 179.46 1a49 n LEU 3930N -4.02 1.87 -0.32 1.22 4.77 -1.26 -4.63 117.00 114.62 1a49 n LEU 3930Ca -0.01 -2.95 0.14 0.00 -0.03 0.00 0.00 56.01 53.16 1a49 n LEU 3930Cb 0.49 0.12 0.28 0.00 -2.33 0.00 0.00 43.42 41.98 1a49 n LEU 3930CO 0.42 1.00 0.83 -0.08 -1.33 0.00 0.00 177.39 178.24 1a49 h GLU 3931N 1.84 0.05 -0.07 3.23 4.57 -1.96 0.59 114.58 122.83 1a49 h GLU 3931Ca -0.10 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1a49 h GLU 3931Cb 1.50 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1a49 h GLU 3931CO 0.20 0.03 0.11 0.66 -1.18 0.00 0.00 179.01 178.83 1a49 h SER 3932N 0.05 0.00 0.00 1.04 4.64 -1.92 -1.40 113.55 115.95 1a49 h SER 3932Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1a49 h SER 3932Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1a49 h SER 3932CO -0.85 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.34 1a49 n MET 3933N -3.58 0.95 -0.22 4.77 2.81 0.20 -1.80 117.12 120.24 1a49 n MET 3933Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.84 1a49 n MET 3933Cb 0.20 -1.37 0.15 0.00 -0.71 0.00 0.00 33.22 31.48 1a49 n MET 3933CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a49 h ILE 3934N 0.00 1.24 0.00 2.02 1.08 -1.41 -3.29 117.51 117.15 1a49 h ILE 3934Ca 0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1a49 h ILE 3934Cb 0.00 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1a49 h ILE 3934CO 0.00 0.30 -0.61 0.29 -0.69 0.00 0.00 178.15 177.43 1a49 n LYS 3935N -4.30 3.42 -4.51 2.37 4.76 -1.14 0.81 118.16 119.57 1a49 n LYS 3935Ca 0.06 -0.02 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 1a49 n LYS 3935Cb 0.17 -0.93 -0.14 0.00 -1.84 0.00 0.00 35.03 32.29 1a49 n LYS 3935CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a49 s LYS 3936N -1.90 1.10 0.00 1.97 1.02 -0.75 -4.96 119.74 116.23 1a49 s LYS 3936Ca 0.01 -0.72 0.29 0.00 0.02 0.00 0.00 55.97 55.56 1a49 s LYS 3936Cb 0.05 -1.12 1.28 0.00 -0.52 0.00 0.00 37.83 37.52 1a49 s LYS 3936CO 0.29 0.29 1.94 -0.35 -0.92 0.00 0.00 175.35 176.60 1a49 n PRO 3937N 2.14 0.09 -4.46 -1.68 -0.04 -1.26 -4.00 135.00 125.79 1a49 n PRO 3937Ca -0.17 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 1a49 n PRO 3937Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1a49 n PRO 3937CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a49 s ARG 3938N -2.91 1.06 0.74 0.54 0.52 -1.26 -4.92 118.95 112.73 1a49 s ARG 3938Ca 0.17 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 1a49 s ARG 3938Cb 0.19 -1.09 0.05 0.00 0.52 0.00 0.00 34.95 34.61 1a49 s ARG 3938CO 0.51 0.28 1.11 -1.25 0.02 0.00 0.00 175.30 175.96 1a49 s PRO 3939N -1.03 2.43 0.82 3.54 0.04 -1.26 -4.68 135.00 134.86 1a49 s PRO 3939Ca 0.03 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.16 1a49 s PRO 3939Cb -0.08 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.54 1a49 s PRO 3939CO 0.01 -1.26 1.17 0.95 0.04 0.00 0.00 177.00 177.92 1a49 s THR 3940N -3.41 2.07 0.10 1.26 -4.23 -1.26 -4.90 115.64 105.27 1a49 s THR 3940Ca 0.60 -0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.84 1a49 s THR 3940Cb -0.11 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.69 1a49 s THR 3940CO 0.49 0.00 1.57 0.03 -0.54 0.00 0.00 174.62 176.17 1a49 h ARG 3941N -1.08 0.46 -0.18 3.99 2.47 -1.99 -0.42 114.38 117.62 1a49 h ARG 3941Ca -0.45 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.14 1a49 h ARG 3941Cb 1.30 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1a49 h ARG 3941CO 0.56 0.57 0.06 0.00 0.56 0.00 0.00 179.97 181.72 1a49 h ALA 3942N 0.87 1.76 -0.23 0.04 0.00 -2.00 -1.08 119.26 118.62 1a49 h ALA 3942Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1a49 h ALA 3942Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a49 h ALA 3942CO 0.01 0.19 -0.54 0.93 0.00 0.00 0.00 179.25 179.84 1a49 h GLU 3943N 0.25 0.66 -0.20 0.00 5.08 -1.71 -1.23 114.58 117.43 1a49 h GLU 3943Ca 0.06 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1a49 h GLU 3943Cb 0.08 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1a49 h GLU 3943CO -0.01 1.03 0.13 0.78 -1.00 0.00 0.00 179.01 179.95 1a49 h GLY 3944N 0.95 0.28 0.34 -3.84 0.00 0.02 -2.57 103.07 98.25 1a49 h GLY 3944Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1a49 h GLY 3944CO 0.11 0.10 -0.27 0.23 0.00 0.00 0.00 176.54 176.71 1a49 h SER 3945N 0.27 -0.81 -0.39 0.19 0.87 -1.17 -2.50 113.55 110.02 1a49 h SER 3945Ca 0.07 0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1a49 h SER 3945Cb -0.03 0.34 -0.09 0.00 -0.44 0.00 0.00 62.40 62.18 1a49 h SER 3945CO -0.02 -0.33 -0.26 -0.78 -0.53 0.00 0.00 176.83 174.92 1a49 h ASP 3946N -0.38 -0.87 -0.76 6.23 3.58 -1.02 0.99 116.42 124.19 1a49 h ASP 3946Ca 0.08 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 1a49 h ASP 3946Cb 0.49 0.43 -0.04 0.00 1.72 0.00 0.00 39.33 41.94 1a49 h ASP 3946CO -0.27 -0.28 0.40 0.58 -2.88 0.00 0.00 179.24 176.80 1a49 h VAL 3947N -0.20 1.23 -0.37 2.25 2.07 -1.42 -1.69 116.25 118.12 1a49 h VAL 3947Ca 0.18 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1a49 h VAL 3947Cb 0.49 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1a49 h VAL 3947CO -0.50 0.27 -0.08 0.00 0.02 0.00 0.00 177.57 177.28 1a49 h ALA 3948N 1.21 0.51 0.00 1.67 0.00 -0.83 -2.80 119.26 119.01 1a49 h ALA 3948Ca 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a49 h ALA 3948Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1a49 h ALA 3948CO -0.04 0.35 -0.02 -0.91 0.00 0.00 0.00 179.25 178.64 1a49 h ASN 3949N 0.51 0.00 0.54 0.00 4.21 0.11 -1.43 115.58 119.52 1a49 h ASN 3949Ca 0.10 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.45 1a49 h ASN 3949Cb 0.58 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 1a49 h ASN 3949CO 0.03 0.02 -0.71 0.00 -1.29 0.00 0.00 177.43 175.48 1a49 h ALA 3950N 1.98 0.76 -0.23 -0.83 0.00 -1.11 0.22 119.26 120.05 1a49 h ALA 3950Ca -0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1a49 h ALA 3950Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a49 h ALA 3950CO 0.00 0.83 -0.42 0.28 0.00 0.00 0.00 179.25 179.94 1a49 h VAL 3951N 0.10 1.31 -0.48 0.00 2.07 -1.20 -2.13 116.25 115.93 1a49 h VAL 3951Ca -0.02 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 65.80 1a49 h VAL 3951Cb 1.26 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1a49 h VAL 3951CO 0.10 0.51 -0.02 -0.07 0.02 0.00 0.00 177.57 178.12 1a49 h LEU 3952N 0.40 0.77 -0.70 2.57 3.38 -1.14 -2.72 115.31 117.88 1a49 h LEU 3952Ca 0.01 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1a49 h LEU 3952Cb 1.02 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1a49 h LEU 3952CO 0.09 0.85 0.36 0.44 0.09 0.00 0.00 178.44 180.28 1a49 h ASP 3953N 0.75 0.49 0.00 -0.43 3.32 -0.41 -3.46 116.42 116.68 1a49 h ASP 3953Ca 0.14 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1a49 h ASP 3953Cb 0.48 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1a49 h ASP 3953CO 0.02 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1a49 n GLY 3954N -1.30 0.54 3.75 2.75 0.00 -0.94 -4.62 105.19 105.37 1a49 n GLY 3954Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1a49 n GLY 3954CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a49 s ALA 3955N -0.87 3.73 0.17 4.61 0.00 -0.84 -4.87 121.76 123.69 1a49 s ALA 3955Ca 0.00 1.52 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 1a49 s ALA 3955Cb 0.00 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.53 1a49 s ALA 3955CO 0.00 -0.93 1.43 -0.44 0.00 0.00 0.00 175.76 175.82 1a49 h ASP 3956N 5.02 0.56 -5.23 0.00 3.32 -0.56 -3.46 116.42 116.07 1a49 h ASP 3956Ca -0.47 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.11 1a49 h ASP 3956Cb 1.22 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 1a49 h ASP 3956CO 0.80 1.10 -0.68 0.00 -1.72 0.00 0.00 179.24 178.74 1a49 s ILE 3958N -3.88 1.93 0.04 0.00 -4.36 -0.18 -1.25 121.20 113.50 1a49 s ILE 3958Ca 0.07 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1a49 s ILE 3958Cb 0.08 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 1a49 s ILE 3958CO -0.10 -0.24 -0.08 -0.32 0.24 0.00 0.00 174.94 174.45 1a49 s MET 3959N -2.66 0.52 0.01 0.37 1.75 -0.93 0.10 119.30 118.47 1a49 s MET 3959Ca 0.16 -0.71 0.08 0.00 -1.25 0.00 0.00 55.69 53.98 1a49 s MET 3959Cb -0.07 -0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.27 1a49 s MET 3959CO 0.07 0.06 -0.26 -0.51 -0.65 0.00 0.00 175.02 173.73 1a49 s LEU 3960N -1.44 2.11 0.00 4.11 1.43 0.17 -4.28 118.68 120.78 1a49 s LEU 3960Ca -0.09 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1a49 s LEU 3960Cb -0.09 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1a49 s LEU 3960CO 0.00 0.28 0.00 -1.20 0.23 0.00 0.00 176.35 175.66 1a49 n SER 3961N 2.12 0.00 -0.25 2.29 7.64 -1.26 -1.70 113.62 122.46 1a49 n SER 3961Ca -0.16 0.00 0.18 0.00 1.01 0.00 0.00 58.87 59.90 1a49 n SER 3961Cb 0.52 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.20 1a49 n SER 3961CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a49 h GLY 3962N 0.00 0.97 0.01 0.23 0.00 -1.96 0.13 103.07 102.46 1a49 h GLY 3962Ca 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 47.33 47.32 1a49 h GLY 3962CO 0.00 -0.00 0.55 0.83 0.00 0.00 0.00 176.54 177.92 1a49 h GLU 3963N 0.46 0.62 0.00 4.80 3.07 -1.90 -1.77 114.58 119.86 1a49 h GLU 3963Ca 0.48 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 1a49 h GLU 3963Cb 1.12 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1a49 h GLU 3963CO -0.20 0.41 -1.49 0.25 -1.40 0.00 0.00 179.01 176.58 1a49 n THR 3964N -4.86 0.04 0.10 1.13 -2.24 -0.86 -3.53 114.28 104.07 1a49 n THR 3964Ca 0.23 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1a49 n THR 3964Cb 0.62 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1a49 n THR 3964CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a49 h ALA 3965N 0.93 0.59 0.00 6.98 0.00 0.08 -3.32 119.26 124.52 1a49 h ALA 3965Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1a49 h ALA 3965Cb 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a49 h ALA 3965CO 0.00 0.94 0.00 0.36 0.00 0.00 0.00 179.25 180.55 1a49 n LYS 3966N -3.39 0.00 -1.94 0.00 0.00 -0.94 -2.39 118.16 109.49 1a49 n LYS 3966Ca 0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 1a49 n LYS 3966Cb 0.80 -0.05 0.17 0.00 -0.00 0.00 0.00 35.03 35.94 1a49 n LYS 3966CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1a49 s GLY 3967N 0.00 1.74 0.34 2.58 0.00 -0.71 -4.76 107.32 106.52 1a49 s GLY 3967Ca 0.00 -1.10 0.25 0.00 0.00 0.00 0.00 44.72 43.86 1a49 s GLY 3967CO 0.00 -0.39 1.69 -0.55 0.00 0.00 0.00 173.10 173.85 1a49 h ASP 3968N -1.51 0.00 -1.05 1.64 3.32 0.17 -3.40 116.42 115.60 1a49 h ASP 3968Ca -0.45 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.22 1a49 h ASP 3968Cb 1.25 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.40 1a49 h ASP 3968CO 0.44 0.00 -1.15 -1.22 -1.72 0.00 0.00 179.24 175.59 1a49 n TYR 3969N -2.74 1.39 -0.18 4.55 4.01 -1.25 -4.97 117.16 117.98 1a49 n TYR 3969Ca 0.05 -2.82 -0.02 0.00 -0.16 0.00 0.00 57.90 54.95 1a49 n TYR 3969Cb 0.48 -0.35 0.08 0.00 -0.31 0.00 0.00 39.34 39.24 1a49 n TYR 3969CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a49 h PRO 3970N 2.95 0.35 -0.60 -0.72 0.13 -1.77 -1.34 132.00 131.00 1a49 h PRO 3970Ca -0.06 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 1a49 h PRO 3970Cb 1.15 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1a49 h PRO 3970CO 0.54 0.23 0.12 -0.07 -0.23 0.00 0.00 178.00 178.59 1a49 h LEU 3971N 0.36 0.93 -1.47 1.56 3.38 -1.93 -1.84 115.31 116.29 1a49 h LEU 3971Ca 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a49 h LEU 3971Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1a49 h LEU 3971CO -0.28 0.93 -0.01 -0.33 0.09 0.00 0.00 178.44 178.84 1a49 h GLU 3972N 0.88 0.33 -0.07 1.13 3.07 -1.88 0.42 114.58 118.46 1a49 h GLU 3972Ca 0.18 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1a49 h GLU 3972Cb 0.39 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1a49 h GLU 3972CO 0.01 0.37 -0.09 0.00 -1.40 0.00 0.00 179.01 177.89 1a49 h ALA 3973N 1.68 0.10 -0.54 3.43 0.00 -0.48 -1.36 119.26 122.09 1a49 h ALA 3973Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1a49 h ALA 3973Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a49 h ALA 3973CO 0.01 -0.06 0.20 0.28 0.00 0.00 0.00 179.25 179.68 1a49 h VAL 3974N -0.29 1.22 -0.33 0.00 2.07 -1.03 -1.98 116.25 115.91 1a49 h VAL 3974Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1a49 h VAL 3974Cb 0.64 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1a49 h VAL 3974CO 0.02 0.27 0.21 0.03 0.02 0.00 0.00 177.57 178.12 1a49 h ARG 3975N 0.74 0.44 -0.04 1.57 3.08 -0.00 -1.90 114.38 118.26 1a49 h ARG 3975Ca 0.18 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 1a49 h ARG 3975Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1a49 h ARG 3975CO -0.01 0.30 -0.81 1.98 -1.07 0.00 0.00 179.97 180.35 1a49 h MET 3976N 0.45 0.39 -0.41 0.04 4.05 -0.65 -2.57 114.93 116.24 1a49 h MET 3976Ca 0.12 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1a49 h MET 3976Cb -0.04 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1a49 h MET 3976CO -0.02 1.02 0.14 1.96 0.23 0.00 0.00 176.91 180.23 1a49 h GLN 3977N 0.25 0.62 -0.32 0.39 4.20 -0.81 -1.29 115.11 118.15 1a49 h GLN 3977Ca -0.05 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.59 1a49 h GLN 3977Cb 1.42 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.05 1a49 h GLN 3977CO 0.14 0.60 0.03 1.25 -0.67 0.00 0.00 178.83 180.18 1a49 h HIS 3978N 0.51 0.04 -0.37 2.96 2.76 -1.26 0.53 115.15 120.33 1a49 h HIS 3978Ca 0.13 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1a49 h HIS 3978Cb 0.23 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1a49 h HIS 3978CO 0.01 -0.02 0.24 -0.07 -1.30 0.00 0.00 177.93 176.78 1a49 h LEU 3979N 0.13 0.43 -0.59 0.26 3.38 -1.31 -2.28 115.31 115.32 1a49 h LEU 3979Ca 0.15 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1a49 h LEU 3979Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1a49 h LEU 3979CO -0.23 0.32 -0.24 0.40 0.09 0.00 0.00 178.44 178.77 1a49 h ILE 3980N 0.50 1.27 -0.57 1.22 2.04 -0.57 -3.04 117.51 118.36 1a49 h ILE 3980Ca 0.13 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1a49 h ILE 3980Cb -0.05 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1a49 h ILE 3980CO -0.03 0.47 0.24 0.00 0.00 0.00 0.00 178.15 178.83 1a49 h ALA 3981N 0.98 0.74 -0.42 1.87 0.00 -0.85 -2.16 119.26 119.42 1a49 h ALA 3981Ca 0.09 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a49 h ALA 3981Cb 0.79 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1a49 h ALA 3981CO 0.07 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.79 1a49 h ARG 3982N 0.78 0.28 -0.35 0.00 3.08 -1.30 -1.35 114.38 115.52 1a49 h ARG 3982Ca 0.19 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1a49 h ARG 3982Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1a49 h ARG 3982CO -0.02 0.18 0.12 0.93 -1.07 0.00 0.00 179.97 180.11 1a49 h GLU 3983N 0.28 0.54 -0.04 0.04 4.39 -1.43 -3.05 114.58 115.32 1a49 h GLU 3983Ca 0.20 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 1a49 h GLU 3983Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1a49 h GLU 3983CO -0.22 0.56 -0.45 0.00 -1.16 0.00 0.00 179.01 177.74 1a49 h ALA 3984N 0.96 1.17 -0.83 3.43 0.00 -1.14 -2.64 119.26 120.21 1a49 h ALA 3984Ca 0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1a49 h ALA 3984Cb 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1a49 h ALA 3984CO -0.01 0.59 0.42 0.93 0.00 0.00 0.00 179.25 181.19 1a49 h GLU 3985N 0.08 1.18 -0.11 0.00 5.08 -1.18 -1.38 114.58 118.25 1a49 h GLU 3985Ca 0.00 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1a49 h GLU 3985Cb 0.83 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1a49 h GLU 3985CO 0.06 0.89 -0.47 0.00 -1.00 0.00 0.00 179.01 178.49 1a49 h ALA 3986N 1.29 1.00 0.00 3.43 0.00 -1.39 -2.99 119.26 120.60 1a49 h ALA 3986Ca 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a49 h ALA 3986Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a49 h ALA 3986CO -0.04 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1a49 n ALA 3987N -2.48 1.89 -1.58 0.00 0.00 -0.59 -4.57 120.51 113.18 1a49 n ALA 3987Ca -0.02 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a49 n ALA 3987Cb 0.52 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.67 1a49 n ALA 3987CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a49 n MET 3988N -2.05 0.89 -2.47 0.00 2.81 -0.77 -4.88 117.12 110.65 1a49 n MET 3988Ca 0.04 0.37 -0.42 0.00 -1.81 0.00 0.00 57.70 55.87 1a49 n MET 3988Cb 0.28 -2.50 0.01 0.00 -0.71 0.00 0.00 33.22 30.30 1a49 n MET 3988CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1a49 n PHE 3989N -2.23 2.70 -0.29 2.03 7.35 -1.26 -4.90 117.46 120.85 1a49 n PHE 3989Ca 0.15 -2.72 0.06 0.00 -0.76 0.00 0.00 57.45 54.18 1a49 n PHE 3989Cb 0.49 -1.74 0.17 0.00 0.35 0.00 0.00 39.48 38.75 1a49 n PHE 3989CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a49 h HIS 3990N 5.50 -0.19 0.22 -5.13 3.86 -1.91 0.42 115.15 117.93 1a49 h HIS 3990Ca 0.38 0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.64 1a49 h HIS 3990Cb 0.58 0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1a49 h HIS 3990CO 1.23 -0.32 -0.11 -0.09 0.86 0.00 0.00 177.93 179.50 1a49 h ARG 3991N 0.05 -0.29 -0.12 2.45 1.12 -1.91 -0.41 114.38 115.28 1a49 h ARG 3991Ca 0.45 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 59.36 1a49 h ARG 3991Cb 0.79 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.80 1a49 h ARG 3991CO -0.79 -0.18 -0.02 0.87 -3.11 0.00 0.00 179.97 176.75 1a49 h LYS 3992N -0.32 0.02 -0.66 0.20 1.79 -1.86 -2.44 116.57 113.29 1a49 h LYS 3992Ca -0.03 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1a49 h LYS 3992Cb 0.24 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 1a49 h LYS 3992CO 0.05 0.01 0.24 1.25 -1.08 0.00 0.00 179.45 179.92 1a49 h LEU 3993N 0.02 0.22 -0.72 2.94 5.85 -0.66 -0.67 115.31 122.29 1a49 h LEU 3993Ca 0.06 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1a49 h LEU 3993Cb 0.08 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1a49 h LEU 3993CO -0.11 0.11 -0.30 0.15 -0.34 0.00 0.00 178.44 177.95 1a49 h PHE 3994N 0.41 0.74 -0.62 1.25 3.57 -1.00 -0.56 116.94 120.73 1a49 h PHE 3994Ca 0.35 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1a49 h PHE 3994Cb 0.47 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1a49 h PHE 3994CO -0.18 0.87 0.07 0.93 -2.23 0.00 0.00 178.31 177.77 1a49 h GLU 3995N 0.55 1.05 -0.25 1.11 5.08 -0.66 0.20 114.58 121.67 1a49 h GLU 3995Ca 0.07 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1a49 h GLU 3995Cb 0.79 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1a49 h GLU 3995CO 0.07 0.99 -0.17 0.93 -1.00 0.00 0.00 179.01 179.83 1a49 h GLU 3996N 0.96 0.55 -0.55 2.33 5.08 -1.12 0.55 114.58 122.37 1a49 h GLU 3996Ca 0.19 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1a49 h GLU 3996Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1a49 h GLU 3996CO 0.02 0.83 0.09 -0.07 -1.00 0.00 0.00 179.01 178.88 1a49 h LEU 3997N 0.27 0.84 -0.54 1.33 3.38 -0.92 0.28 115.31 119.95 1a49 h LEU 3997Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1a49 h LEU 3997Cb 0.69 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1a49 h LEU 3997CO 0.05 0.85 0.24 0.00 0.09 0.00 0.00 178.44 179.66 1a49 h ALA 3998N 1.25 0.69 -0.49 1.53 0.00 -0.27 -1.68 119.26 120.31 1a49 h ALA 3998Ca 0.17 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1a49 h ALA 3998Cb 0.38 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1a49 h ALA 3998CO 0.01 0.28 0.04 -0.09 0.00 0.00 0.00 179.25 179.49 1a49 h ARG 3999N 0.72 0.16 -0.30 0.00 2.43 -0.24 -2.58 114.38 114.57 1a49 h ARG 3999Ca 0.18 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 1a49 h ARG 3999Cb 0.16 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1a49 h ARG 3999CO -0.02 0.10 -0.22 0.66 -1.51 0.00 0.00 179.97 178.98 1a49 h SER 4000N 0.16 -0.72 -0.41 -3.80 4.64 0.46 -2.95 113.55 110.93 1a49 h SER 4000Ca 0.24 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1a49 h SER 4000Cb 0.35 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1a49 h SER 4000CO -0.37 -0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 173.80 1a49 n SER 4001N -5.37 2.20 -0.39 4.97 3.41 -0.91 -4.56 113.62 112.97 1a49 n SER 4001Ca 0.00 -2.00 0.33 0.00 -0.26 0.00 0.00 58.87 56.94 1a49 n SER 4001Cb 0.28 -0.27 0.64 0.00 -0.26 0.00 0.00 64.21 64.60 1a49 n SER 4001CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1a49 h SER 4002N 2.41 0.23 -0.12 4.04 0.87 -1.28 1.20 113.55 120.88 1a49 h SER 4002Ca 0.00 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1a49 h SER 4002Cb 0.55 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1a49 h SER 4002CO 0.00 -0.02 -0.09 0.45 -0.53 0.00 0.00 176.83 176.64 1a49 h HIS 4003N 0.17 0.47 -4.09 2.24 3.86 -1.85 -3.42 115.15 112.52 1a49 h HIS 4003Ca 0.68 -0.06 -0.48 0.00 -1.16 0.00 0.00 60.37 59.35 1a49 h HIS 4003Cb 2.21 -0.13 0.04 0.00 1.06 0.00 0.00 27.41 30.59 1a49 h HIS 4003CO -0.00 0.53 0.39 0.45 0.86 0.00 0.00 177.93 180.16 1a49 s SER 4004N -6.79 6.20 -0.04 2.45 0.15 0.41 -4.94 113.70 111.15 1a49 s SER 4004Ca -0.07 1.93 0.06 0.00 0.70 0.00 0.00 55.95 58.57 1a49 s SER 4004Cb 0.15 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 62.00 1a49 s SER 4004CO 0.76 -0.88 0.96 0.35 1.20 0.00 0.00 173.24 175.63 1a49 n THR 4005N -1.16 0.83 -1.67 6.45 -2.24 -1.26 -5.03 114.28 110.19 1a49 n THR 4005Ca 0.09 -0.96 -0.44 0.00 -2.27 0.00 0.00 64.05 60.48 1a49 n THR 4005Cb 0.52 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1a49 n THR 4005CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a49 n ASP 4006N -0.58 2.71 0.24 3.42 -0.08 -1.26 -4.82 116.55 116.17 1a49 n ASP 4006Ca 0.05 1.16 -0.16 0.00 -1.51 0.00 0.00 54.79 54.33 1a49 n ASP 4006Cb 0.54 -1.43 -0.08 0.00 2.34 0.00 0.00 41.12 42.49 1a49 n ASP 4006CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a49 h LEU 4007N 3.81 -0.96 -1.36 -2.67 3.38 -1.99 0.44 115.31 115.96 1a49 h LEU 4007Ca -0.45 0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1a49 h LEU 4007Cb 1.28 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 1a49 h LEU 4007CO 0.73 -0.51 0.52 -0.03 0.09 0.00 0.00 178.44 179.24 1a49 h MET 4008N -0.76 0.68 -0.61 1.13 4.05 -1.93 0.31 114.93 117.81 1a49 h MET 4008Ca -0.03 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1a49 h MET 4008Cb 0.67 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1a49 h MET 4008CO -0.05 0.45 0.25 0.93 0.23 0.00 0.00 176.91 178.72 1a49 h GLU 4009N 0.71 0.91 -0.08 0.39 5.08 -1.42 0.77 114.58 120.92 1a49 h GLU 4009Ca 0.37 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1a49 h GLU 4009Cb 0.48 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1a49 h GLU 4009CO -0.14 0.77 -0.02 0.00 -1.00 0.00 0.00 179.01 178.62 1a49 h ALA 4010N 1.09 0.06 -0.06 3.43 0.00 0.23 -0.54 119.26 123.47 1a49 h ALA 4010Ca 0.20 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1a49 h ALA 4010Cb 0.20 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1a49 h ALA 4010CO -0.02 -0.48 -0.20 0.52 0.00 0.00 0.00 179.25 179.07 1a49 h MET 4011N 0.01 -0.27 -0.82 0.00 2.86 -0.02 -0.91 114.93 115.77 1a49 h MET 4011Ca 0.04 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.79 1a49 h MET 4011Cb 0.06 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 1a49 h MET 4011CO -0.08 -0.18 0.47 0.00 1.06 0.00 0.00 176.91 178.18 1a49 h ALA 4012N 0.67 1.17 -0.37 6.32 0.00 0.91 -1.62 119.26 126.34 1a49 h ALA 4012Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1a49 h ALA 4012Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1a49 h ALA 4012CO -0.23 0.10 0.03 0.52 0.00 0.00 0.00 179.25 179.67 1a49 h MET 4013N 0.79 0.64 -0.02 0.00 2.86 -0.84 -0.52 114.93 117.84 1a49 h MET 4013Ca 0.39 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1a49 h MET 4013Cb 0.35 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1a49 h MET 4013CO -0.24 0.72 -0.07 0.78 1.06 0.00 0.00 176.91 179.16 1a49 h GLY 4014N 0.47 -0.05 0.90 8.32 0.00 -0.60 0.82 103.07 112.92 1a49 h GLY 4014Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1a49 h GLY 4014CO 0.01 -0.07 0.09 1.76 0.00 0.00 0.00 176.54 178.33 1a49 h SER 4015N -0.10 0.42 -0.06 0.19 0.02 -1.21 0.20 113.55 113.00 1a49 h SER 4015Ca 0.03 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1a49 h SER 4015Cb 0.15 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1a49 h SER 4015CO -0.09 0.51 -0.07 0.58 -1.14 0.00 0.00 176.83 176.62 1a49 h VAL 4016N 0.30 0.79 -0.43 2.27 2.07 -0.94 0.65 116.25 120.96 1a49 h VAL 4016Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 1a49 h VAL 4016Cb 0.24 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1a49 h VAL 4016CO -0.00 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 177.60 1a49 h GLU 4017N -0.10 0.22 -0.80 1.57 4.57 -0.56 0.28 114.58 119.76 1a49 h GLU 4017Ca 0.05 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1a49 h GLU 4017Cb 0.17 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1a49 h GLU 4017CO -0.12 0.14 0.39 0.00 -1.18 0.00 0.00 179.01 178.25 1a49 h ALA 4018N 1.32 1.18 -0.28 2.92 0.00 -0.17 -1.15 119.26 123.08 1a49 h ALA 4018Ca 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a49 h ALA 4018Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a49 h ALA 4018CO -0.27 0.63 0.10 0.66 0.00 0.00 0.00 179.25 180.37 1a49 h SER 4019N 1.14 0.35 0.03 0.00 4.64 0.18 -2.38 113.55 117.52 1a49 h SER 4019Ca 0.28 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1a49 h SER 4019Cb 0.10 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1a49 h SER 4019CO -0.04 0.34 -0.02 1.88 -0.87 0.00 0.00 176.83 178.13 1a49 h TYR 4020N 0.40 -0.04 -0.21 4.77 0.05 0.23 -2.27 116.97 119.89 1a49 h TYR 4020Ca 0.10 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.93 1a49 h TYR 4020Cb 0.11 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 1a49 h TYR 4020CO 0.00 0.49 -0.27 -0.22 -1.05 0.00 0.00 178.16 177.11 1a49 h LYS 4021N -0.60 -0.29 -0.48 4.88 1.63 -1.10 -2.43 116.57 118.17 1a49 h LYS 4021Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a49 h LYS 4021Cb 0.55 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1a49 h LYS 4021CO 0.01 -0.19 0.00 0.00 -3.45 0.00 0.00 179.45 175.81 1a49 n LEU 4023N 1.19 -3.06 -4.37 0.00 4.77 -0.90 -4.90 117.00 109.73 1a49 n LEU 4023Ca 0.19 -0.73 -0.35 0.00 -0.03 0.00 0.00 56.01 55.10 1a49 n LEU 4023Cb 0.51 -2.75 0.08 0.00 -2.33 0.00 0.00 43.42 38.93 1a49 n LEU 4023CO 0.14 0.48 -0.22 0.00 -1.33 0.00 0.00 177.39 176.46 1a49 n ALA 4024N -4.56 -2.57 0.17 -1.18 0.00 -0.97 -4.91 120.51 106.50 1a49 n ALA 4024Ca -0.11 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.00 1a49 n ALA 4024Cb 0.60 -1.72 0.04 0.00 0.00 0.00 0.00 19.45 18.37 1a49 n ALA 4024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a49 h ALA 4025N -0.94 0.58 -1.75 0.00 0.00 -0.37 -3.44 119.26 113.34 1a49 h ALA 4025Ca -0.44 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.62 1a49 h ALA 4025Cb 1.32 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.91 1a49 h ALA 4025CO 0.36 0.00 0.63 0.00 0.00 0.00 0.00 179.25 180.24 1a49 s ALA 4026N -3.32 -1.95 -0.16 0.00 0.00 -1.26 -4.00 121.76 111.07 1a49 s ALA 4026Ca 0.01 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 1a49 s ALA 4026Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1a49 s ALA 4026CO 0.77 -0.51 0.00 -0.51 0.00 0.00 0.00 175.76 175.51 1a49 s LEU 4027N -1.87 3.49 -0.18 0.00 1.02 0.13 -1.24 118.68 120.04 1a49 s LEU 4027Ca 0.04 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.11 1a49 s LEU 4027Cb -0.01 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.32 1a49 s LEU 4027CO -0.04 0.19 0.01 -0.63 0.02 0.00 0.00 176.35 175.90 1a49 s ILE 4028N 0.23 4.23 -0.08 -0.59 1.01 0.55 -0.02 121.20 126.52 1a49 s ILE 4028Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 1a49 s ILE 4028Cb -0.13 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1a49 s ILE 4028CO 0.02 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.67 1a49 s VAL 4029N 0.62 0.75 -0.21 2.92 1.01 -0.25 0.16 120.40 125.39 1a49 s VAL 4029Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1a49 s VAL 4029Cb -0.14 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1a49 s VAL 4029CO 0.02 0.31 0.61 -0.76 0.00 0.00 0.00 175.10 175.28 1a49 s LEU 4030N 1.50 4.12 -0.07 3.92 1.43 -1.00 -0.14 118.68 128.44 1a49 s LEU 4030Ca -0.01 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 53.67 1a49 s LEU 4030Cb -0.13 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.28 1a49 s LEU 4030CO -0.04 -0.28 0.47 0.28 0.23 0.00 0.00 176.35 177.01 1a49 s THR 4031N 2.01 0.02 -0.26 5.49 -1.32 -0.16 -4.84 115.64 116.58 1a49 s THR 4031Ca 0.27 -0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1a49 s THR 4031Cb -0.16 -0.75 -0.15 0.00 -1.51 0.00 0.00 72.50 69.93 1a49 s THR 4031CO 0.10 -0.11 -0.28 -0.62 -2.21 0.00 0.00 174.62 171.50 1a49 n GLU 4032N 1.57 0.61 0.09 7.08 4.71 -1.26 -3.97 120.64 129.47 1a49 n GLU 4032Ca -0.19 0.19 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 1a49 n GLU 4032Cb 0.56 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.48 1a49 n GLU 4032CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1a49 n SER 4033N -3.64 0.75 0.00 1.62 3.41 -1.26 -4.44 113.62 110.07 1a49 n SER 4033Ca -0.49 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1a49 n SER 4033Cb 0.94 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 1a49 n SER 4033CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a49 n GLY 4034N 1.19 3.35 0.41 5.00 0.00 -1.26 -4.91 105.19 108.97 1a49 n GLY 4034Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1a49 n GLY 4034CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a49 h ARG 4035N 2.74 -0.44 -0.64 1.61 3.08 -1.96 0.41 114.38 119.17 1a49 h ARG 4035Ca 0.00 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1a49 h ARG 4035Cb 0.00 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.03 1a49 h ARG 4035CO 0.00 -0.29 -0.39 0.77 -1.07 0.00 0.00 179.97 178.99 1a49 h SER 4036N -0.46 -1.35 -0.68 7.04 0.02 -1.93 0.18 113.55 116.38 1a49 h SER 4036Ca 0.09 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1a49 h SER 4036Cb 0.62 0.65 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1a49 h SER 4036CO -0.45 -0.31 0.37 0.00 -1.14 0.00 0.00 176.83 175.29 1a49 h ALA 4037N 0.88 1.34 -0.80 3.77 0.00 -1.73 -2.26 119.26 120.45 1a49 h ALA 4037Ca 0.22 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1a49 h ALA 4037Cb 0.56 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1a49 h ALA 4037CO -0.73 0.53 0.52 0.45 0.00 0.00 0.00 179.25 180.03 1a49 h HIS 4038N 0.97 0.98 -0.95 0.00 3.86 0.25 0.15 115.15 120.42 1a49 h HIS 4038Ca 0.24 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.52 1a49 h HIS 4038Cb 0.05 -0.33 -0.06 0.00 1.06 0.00 0.00 27.41 28.13 1a49 h HIS 4038CO 0.01 0.58 0.61 0.37 0.86 0.00 0.00 177.93 180.36 1a49 h GLN 4039N 1.03 1.14 -0.08 2.45 5.75 -0.39 0.18 115.11 125.20 1a49 h GLN 4039Ca 0.31 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1a49 h GLN 4039Cb -0.04 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.26 1a49 h GLN 4039CO -0.10 0.75 -0.35 0.28 -2.65 0.00 0.00 178.83 176.76 1a49 h VAL 4040N 1.17 1.41 -0.95 2.39 2.07 -0.77 -3.19 116.25 118.38 1a49 h VAL 4040Ca 0.38 -1.74 0.18 0.00 0.82 0.00 0.00 66.70 66.35 1a49 h VAL 4040Cb 0.04 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.99 1a49 h VAL 4040CO -0.13 0.51 0.55 0.00 0.02 0.00 0.00 177.57 178.51 1a49 h ALA 4041N 0.44 1.55 0.00 1.67 0.00 0.15 -1.07 119.26 122.00 1a49 h ALA 4041Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a49 h ALA 4041Cb 1.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1a49 h ALA 4041CO 0.07 -0.08 -0.03 0.07 0.00 0.00 0.00 179.25 179.29 1a49 h ARG 4042N 0.70 0.00 -0.64 0.00 0.11 -0.65 -2.68 114.38 111.21 1a49 h ARG 4042Ca 0.55 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.63 1a49 h ARG 4042Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1a49 h ARG 4042CO -0.39 0.03 0.00 0.66 0.10 0.00 0.00 179.97 180.37 1a49 n TYR 4043N -3.82 1.16 -3.72 4.08 4.02 -0.41 -4.96 117.16 113.51 1a49 n TYR 4043Ca -0.03 -0.44 -0.30 0.00 -0.01 0.00 0.00 57.90 57.13 1a49 n TYR 4043Cb 0.11 -0.25 0.03 0.00 -0.02 0.00 0.00 39.34 39.22 1a49 n TYR 4043CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1a49 n ARG 4044N 0.61 -1.77 -1.03 -0.72 5.12 -1.01 -4.78 116.66 113.08 1a49 n ARG 4044Ca 0.18 0.46 -0.31 0.00 -1.93 0.00 0.00 57.85 56.25 1a49 n ARG 4044Cb 0.73 -4.25 0.13 0.00 -1.16 0.00 0.00 32.46 27.91 1a49 n ARG 4044CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a49 s PRO 4045N -6.06 1.60 0.03 5.56 0.04 -1.26 -4.94 135.00 129.96 1a49 s PRO 4045Ca 0.37 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1a49 s PRO 4045Cb -0.13 -1.82 -0.26 0.00 0.04 0.00 0.00 34.50 32.33 1a49 s PRO 4045CO 0.86 -2.13 0.97 -0.09 0.04 0.00 0.00 177.00 176.65 1a49 h ARG 4046N -1.49 0.18 -7.02 4.56 2.43 -1.93 -3.47 114.38 107.63 1a49 h ARG 4046Ca -0.45 -0.31 -0.46 0.00 -0.81 0.00 0.00 59.98 57.96 1a49 h ARG 4046Cb 1.25 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1a49 h ARG 4046CO 0.48 1.04 0.29 0.00 -1.51 0.00 0.00 179.97 180.28 1a49 s ALA 4047N -2.64 3.12 0.55 2.80 0.00 -1.26 -5.02 121.76 119.32 1a49 s ALA 4047Ca -0.06 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 1a49 s ALA 4047Cb 0.08 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1a49 s ALA 4047CO 0.85 0.05 1.35 -0.35 0.00 0.00 0.00 175.76 177.66 1a49 n PRO 4048N -0.92 1.66 -3.62 0.00 -0.04 -1.26 -4.60 135.00 126.22 1a49 n PRO 4048Ca 0.06 0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 63.73 1a49 n PRO 4048Cb 0.54 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1a49 n PRO 4048CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a49 s ILE 4049N -1.29 4.24 -0.62 0.52 1.01 0.30 0.22 121.20 125.57 1a49 s ILE 4049Ca 0.72 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1a49 s ILE 4049Cb -0.41 -3.53 0.10 0.00 0.01 0.00 0.00 42.46 38.63 1a49 s ILE 4049CO 0.49 -0.42 0.76 -0.63 0.00 0.00 0.00 174.94 175.14 1a49 s ILE 4050N 1.45 4.74 -0.21 2.92 1.01 0.98 0.20 121.20 132.28 1a49 s ILE 4050Ca 0.02 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 1a49 s ILE 4050Cb -0.22 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 1a49 s ILE 4050CO 0.03 -1.19 0.46 0.00 0.00 0.00 0.00 174.94 174.23 1a49 s ALA 4051N 2.89 3.55 -0.22 9.38 0.00 0.40 -1.09 121.76 136.67 1a49 s ALA 4051Ca 0.14 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 1a49 s ALA 4051Cb -0.22 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1a49 s ALA 4051CO 0.06 -0.41 0.11 0.08 0.00 0.00 0.00 175.76 175.60 1a49 s VAL 4052N 1.56 4.93 0.04 0.00 1.01 0.80 0.98 120.40 129.70 1a49 s VAL 4052Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1a49 s VAL 4052Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1a49 s VAL 4052CO 0.09 0.38 -0.04 0.28 0.00 0.00 0.00 175.10 175.81 1a49 s THR 4053N 0.94 0.28 -0.95 3.92 -1.32 0.19 -0.99 115.64 117.71 1a49 s THR 4053Ca 0.05 -1.22 0.23 0.00 -1.21 0.00 0.00 61.69 59.54 1a49 s THR 4053Cb -0.14 -0.71 -0.14 0.00 -1.51 0.00 0.00 72.50 70.00 1a49 s THR 4053CO 0.03 -0.61 1.08 0.54 -2.21 0.00 0.00 174.62 173.46 1a49 n ARG 4054N 1.13 0.04 -3.10 7.08 1.74 -1.26 -1.11 116.66 121.17 1a49 n ARG 4054Ca -0.21 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.43 1a49 n ARG 4054Cb 0.57 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1a49 n ARG 4054CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a49 s ASN 4055N -3.11 6.26 0.20 0.55 3.84 -1.26 -4.85 114.94 116.56 1a49 s ASN 4055Ca 0.08 -0.73 -0.11 0.00 0.21 0.00 0.00 52.86 52.31 1a49 s ASN 4055Cb 0.16 -2.32 0.23 0.00 -0.55 0.00 0.00 41.25 38.78 1a49 s ASN 4055CO 0.81 -0.92 1.74 0.45 -2.79 0.00 0.00 177.10 176.38 1a49 h HIS 4056N 9.02 0.30 -0.53 0.43 3.86 -1.93 -0.55 115.15 125.75 1a49 h HIS 4056Ca -0.27 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1a49 h HIS 4056Cb 1.09 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 1a49 h HIS 4056CO 0.77 0.07 0.35 0.37 0.86 0.00 0.00 177.93 180.34 1a49 h GLN 4057N 0.34 0.70 -0.29 2.45 4.15 -1.96 0.14 115.11 120.64 1a49 h GLN 4057Ca 0.28 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.72 1a49 h GLN 4057Cb 0.34 -0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.80 1a49 h GLN 4057CO -0.30 0.47 -0.25 1.15 -1.93 0.00 0.00 178.83 177.96 1a49 h THR 4058N 0.72 0.36 -0.64 2.39 2.02 -1.70 0.32 112.91 116.38 1a49 h THR 4058Ca 0.19 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.45 1a49 h THR 4058Cb -0.08 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 66.63 1a49 h THR 4058CO -0.04 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.15 1a49 h ALA 4059N 0.83 0.85 -0.21 6.16 0.00 -0.55 -2.23 119.26 124.11 1a49 h ALA 4059Ca 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1a49 h ALA 4059Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1a49 h ALA 4059CO -0.43 -0.08 0.03 0.00 0.00 0.00 0.00 179.25 178.77 1a49 h ARG 4060N 0.54 0.36 0.00 0.00 3.08 0.33 -3.04 114.38 115.65 1a49 h ARG 4060Ca 0.31 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1a49 h ARG 4060Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1a49 h ARG 4060CO -0.24 0.51 -0.05 1.96 -1.07 0.00 0.00 179.97 181.07 1a49 h GLN 4061N 0.15 0.00 0.00 0.04 4.20 -0.85 -2.94 115.11 115.70 1a49 h GLN 4061Ca 0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1a49 h GLN 4061Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1a49 h GLN 4061CO 0.01 0.05 -0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1a49 h ALA 4062N 1.95 1.02 -0.14 3.87 0.00 -1.28 -2.12 119.26 122.56 1a49 h ALA 4062Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1a49 h ALA 4062Cb 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a49 h ALA 4062CO 0.01 0.00 0.20 0.45 0.00 0.00 0.00 179.25 179.91 1a49 h HIS 4063N 0.00 0.00 0.00 0.00 3.86 -1.69 -0.85 115.15 116.47 1a49 h HIS 4063Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1a49 h HIS 4063Cb 0.06 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1a49 h HIS 4063CO 0.00 0.00 -0.15 -0.07 0.86 0.00 0.00 177.93 178.57 1a49 h LEU 4064N 0.00 0.00 -9.42 2.43 3.38 -1.64 -3.40 115.31 106.66 1a49 h LEU 4064Ca 0.07 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.43 1a49 h LEU 4064Cb 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1a49 h LEU 4064CO -0.00 0.15 -0.33 -0.31 0.09 0.00 0.00 178.44 178.04 1a49 s TYR 4065N -3.94 3.53 0.28 1.13 1.51 -0.33 -4.57 117.35 114.96 1a49 s TYR 4065Ca -0.01 0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 1a49 s TYR 4065Cb 0.12 -2.27 -0.12 0.00 -0.11 0.00 0.00 41.96 39.58 1a49 s TYR 4065CO 0.60 0.39 1.47 -2.13 -1.11 0.00 0.00 175.55 174.77 1a49 n ARG 4066N 3.00 2.33 -0.96 -0.62 3.00 -1.26 -2.88 116.66 119.26 1a49 n ARG 4066Ca -0.14 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1a49 n ARG 4066Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 32.46 30.46 1a49 n ARG 4066CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a49 n GLY 4067N 1.96 0.81 3.70 5.14 0.00 0.17 -4.71 105.19 112.27 1a49 n GLY 4067Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1a49 n GLY 4067CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a49 s ILE 4068N -3.32 5.18 -0.41 -0.61 1.01 -1.14 -0.54 121.20 121.37 1a49 s ILE 4068Ca 0.00 0.89 -0.04 0.00 0.00 0.00 0.00 60.65 61.50 1a49 s ILE 4068Cb 0.00 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.78 1a49 s ILE 4068CO 0.00 0.29 0.21 -0.36 0.00 0.00 0.00 174.94 175.08 1a49 s PHE 4069N 0.89 3.52 0.21 3.97 0.40 0.13 -4.74 117.98 122.37 1a49 s PHE 4069Ca 0.24 -2.22 -0.30 0.00 -0.60 0.00 0.00 56.93 54.05 1a49 s PHE 4069Cb -0.15 -3.12 -0.08 0.00 0.51 0.00 0.00 43.02 40.17 1a49 s PHE 4069CO 0.09 -0.95 1.13 -1.25 0.70 0.00 0.00 175.22 174.94 1a49 s PRO 4070N 1.20 4.58 -0.05 0.24 0.04 -1.26 -0.45 135.00 139.30 1a49 s PRO 4070Ca 0.06 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1a49 s PRO 4070Cb -0.23 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1a49 s PRO 4070CO -0.03 0.07 -0.04 0.08 0.04 0.00 0.00 177.00 177.12 1a49 s VAL 4071N -0.50 0.53 -0.22 -0.36 1.01 0.27 -4.73 120.40 116.41 1a49 s VAL 4071Ca 0.49 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1a49 s VAL 4071Cb -0.31 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1a49 s VAL 4071CO 0.38 0.23 0.36 -0.69 0.00 0.00 0.00 175.10 175.38 1a49 s VAL 4072N 1.06 5.22 -0.32 2.92 1.01 -1.26 0.56 120.40 129.59 1a49 s VAL 4072Ca -0.09 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1a49 s VAL 4072Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1a49 s VAL 4072CO -0.01 0.25 0.28 0.00 0.00 0.00 0.00 175.10 175.62 1a49 n LYS 4074N 5.20 2.76 -2.88 0.00 5.02 -1.26 -4.58 118.16 122.42 1a49 n LYS 4074Ca -0.11 -2.52 -0.34 0.00 -2.02 0.00 0.00 58.31 53.31 1a49 n LYS 4074Cb 0.50 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1a49 n LYS 4074CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a49 s ASP 4075N -1.01 7.02 0.81 4.39 1.11 -1.26 -5.03 116.67 122.71 1a49 s ASP 4075Ca 0.43 1.64 -0.11 0.00 0.18 0.00 0.00 52.55 54.69 1a49 s ASP 4075Cb 0.22 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.79 1a49 s ASP 4075CO 0.29 -0.23 1.13 -2.16 1.18 0.00 0.00 175.17 175.38 1a49 s PRO 4076N -2.78 1.79 -0.20 8.23 0.04 -1.26 -4.93 135.00 135.89 1a49 s PRO 4076Ca 0.56 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 1a49 s PRO 4076Cb -0.12 -1.83 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1a49 s PRO 4076CO 0.17 -2.03 0.97 0.08 0.04 0.00 0.00 177.00 176.23 1a49 s VAL 4077N -2.64 4.75 0.25 -0.36 1.01 -1.26 -5.02 120.40 117.13 1a49 s VAL 4077Ca 0.65 1.91 -0.30 0.00 0.00 0.00 0.00 61.98 64.25 1a49 s VAL 4077Cb -0.21 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 1a49 s VAL 4077CO 0.54 -0.09 1.09 -1.10 0.00 0.00 0.00 175.10 175.54 1a49 s GLN 4078N 2.73 4.64 0.52 2.72 -1.52 -1.26 -4.94 119.66 122.56 1a49 s GLN 4078Ca 0.43 1.77 0.32 0.00 -1.95 0.00 0.00 55.36 55.93 1a49 s GLN 4078Cb -0.16 -3.21 1.46 0.00 -0.22 0.00 0.00 33.01 30.88 1a49 s GLN 4078CO 0.10 0.20 1.84 1.05 -0.25 0.00 0.00 175.29 178.22 1a49 h GLU 4079N 4.14 0.05 -4.64 2.91 -0.00 -2.00 -3.38 114.58 111.67 1a49 h GLU 4079Ca -0.46 -0.00 -0.70 0.00 -0.00 0.00 0.00 59.36 58.20 1a49 h GLU 4079Cb 1.21 -0.01 -0.30 0.00 -0.00 0.00 0.00 28.75 29.65 1a49 h GLU 4079CO 0.68 0.04 -0.60 0.00 -0.00 0.00 0.00 179.01 179.13 1a49 s ALA 4080N -5.03 3.05 0.10 1.06 0.00 -1.26 -5.00 121.76 114.67 1a49 s ALA 4080Ca -0.06 -1.90 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 1a49 s ALA 4080Cb 0.23 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 21.11 1a49 s ALA 4080CO 0.79 -1.42 0.77 1.87 0.00 0.00 0.00 175.76 177.77 1a49 n TRP 4081N 4.76 -0.11 -0.04 0.00 -0.00 -1.26 0.33 117.44 121.12 1a49 n TRP 4081Ca -0.11 0.61 -0.14 0.00 -0.00 0.00 0.00 57.50 57.86 1a49 n TRP 4081Cb 0.44 -0.61 -0.09 0.00 -0.00 0.00 0.00 31.31 31.05 1a49 n TRP 4081CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1a49 h ALA 4082N 0.45 -0.83 -0.97 5.87 0.00 -1.94 2.51 119.26 124.35 1a49 h ALA 4082Ca 0.12 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.13 1a49 h ALA 4082Cb 0.25 1.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1a49 h ALA 4082CO -0.48 -1.06 0.62 0.93 0.00 0.00 0.00 179.25 179.25 1a49 h GLU 4083N -0.53 0.86 0.32 0.00 5.08 -0.53 0.68 114.58 120.47 1a49 h GLU 4083Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1a49 h GLU 4083Cb 0.66 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1a49 h GLU 4083CO -0.48 0.57 -0.15 0.22 -1.00 0.00 0.00 179.01 178.17 1a49 h ASP 4084N 0.89 -0.36 -0.81 1.42 3.58 0.56 0.24 116.42 121.94 1a49 h ASP 4084Ca 0.49 -0.12 0.06 0.00 0.42 0.00 0.00 57.03 57.89 1a49 h ASP 4084Cb 0.59 0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.68 1a49 h ASP 4084CO -0.26 -0.08 0.49 0.58 -2.88 0.00 0.00 179.24 177.08 1a49 h VAL 4085N -0.64 1.02 -0.13 2.25 2.07 0.45 -2.03 116.25 119.25 1a49 h VAL 4085Ca -0.04 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1a49 h VAL 4085Cb 0.46 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1a49 h VAL 4085CO 0.07 0.16 -0.31 0.44 0.02 0.00 0.00 177.57 177.96 1a49 h ASP 4086N 0.89 0.24 -0.77 0.57 3.32 0.75 0.22 116.42 121.64 1a49 h ASP 4086Ca 0.36 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 1a49 h ASP 4086Cb 0.18 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1a49 h ASP 4086CO -0.18 0.55 0.36 0.25 -1.72 0.00 0.00 179.24 178.50 1a49 h LEU 4087N 0.21 1.02 -0.10 1.55 5.85 -0.03 -0.67 115.31 123.15 1a49 h LEU 4087Ca 0.03 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1a49 h LEU 4087Cb 0.65 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1a49 h LEU 4087CO 0.05 0.87 -0.15 0.03 -0.34 0.00 0.00 178.44 178.91 1a49 h ARG 4088N 1.09 0.27 -0.63 1.25 3.08 -0.54 -2.76 114.38 116.15 1a49 h ARG 4088Ca 0.26 -0.16 0.10 0.00 0.07 0.00 0.00 59.98 60.25 1a49 h ARG 4088Cb 0.14 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1a49 h ARG 4088CO -0.03 0.73 0.24 0.28 -1.07 0.00 0.00 179.97 180.12 1a49 h VAL 4089N -0.16 0.76 -0.96 2.04 2.07 -0.54 -1.93 116.25 117.52 1a49 h VAL 4089Ca 0.01 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1a49 h VAL 4089Cb 0.70 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1a49 h VAL 4089CO 0.03 0.08 0.62 0.78 0.02 0.00 0.00 177.57 179.10 1a49 h ASN 4090N 0.42 0.99 -0.71 0.57 2.35 -1.04 -0.01 115.58 118.16 1a49 h ASN 4090Ca 0.32 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1a49 h ASN 4090Cb 0.41 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1a49 h ASN 4090CO -0.32 0.65 0.46 0.25 -1.65 0.00 0.00 177.43 176.82 1a49 h LEU 4091N 1.13 0.78 -0.14 1.61 5.85 -1.06 0.44 115.31 123.92 1a49 h LEU 4091Ca 0.41 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.15 1a49 h LEU 4091Cb 0.14 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1a49 h LEU 4091CO -0.15 0.55 -0.12 0.00 -0.34 0.00 0.00 178.44 178.38 1a49 h ALA 4092N 1.28 -0.02 -0.48 1.25 0.00 -0.75 0.34 119.26 120.89 1a49 h ALA 4092Ca 0.27 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1a49 h ALA 4092Cb -0.06 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1a49 h ALA 4092CO -0.08 -0.57 -0.36 1.98 0.00 0.00 0.00 179.25 180.22 1a49 h MET 4093N -0.14 -0.23 -0.49 0.00 -1.53 -0.69 0.30 114.93 112.15 1a49 h MET 4093Ca 0.09 0.02 -0.12 0.00 -3.44 0.00 0.00 59.70 56.25 1a49 h MET 4093Cb 0.28 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1a49 h MET 4093CO -0.23 -0.15 -0.17 -0.91 0.14 0.00 0.00 176.91 175.59 1a49 h ASN 4094N -0.24 1.00 0.34 1.39 4.21 0.19 0.14 115.58 122.61 1a49 h ASN 4094Ca 0.18 -0.38 -0.02 0.00 1.21 0.00 0.00 56.30 57.30 1a49 h ASN 4094Cb 0.56 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1a49 h ASN 4094CO -0.61 1.15 -0.16 0.58 -1.29 0.00 0.00 177.43 177.10 1a49 h VAL 4095N 0.84 0.68 -0.95 2.81 2.07 0.00 0.39 116.25 122.10 1a49 h VAL 4095Ca 0.12 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1a49 h VAL 4095Cb 0.74 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1a49 h VAL 4095CO 0.06 0.01 0.57 1.23 0.02 0.00 0.00 177.57 179.47 1a49 h GLY 4096N -0.49 1.54 1.01 2.17 0.00 -0.27 0.70 103.07 107.73 1a49 h GLY 4096Ca -0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1a49 h GLY 4096CO 0.08 0.12 -0.39 0.50 0.00 0.00 0.00 176.54 176.85 1a49 h LYS 4097N 0.90 0.73 -0.92 4.80 1.57 -0.61 0.87 116.57 123.90 1a49 h LYS 4097Ca 0.48 -0.43 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1a49 h LYS 4097Cb 0.50 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1a49 h LYS 4097CO -0.28 1.05 0.59 0.00 -0.57 0.00 0.00 179.45 180.24 1a49 h ALA 4098N 0.67 1.28 0.00 3.86 0.00 0.25 -1.67 119.26 123.64 1a49 h ALA 4098Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a49 h ALA 4098Cb 0.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1a49 h ALA 4098CO 0.09 0.36 -0.02 0.54 0.00 0.00 0.00 179.25 180.22 1a49 n ARG 4099N -4.57 0.16 -1.41 0.00 5.12 0.22 -4.91 116.66 111.27 1a49 n ARG 4099Ca 0.14 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 1a49 n ARG 4099Cb 0.18 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.79 1a49 n ARG 4099CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1a49 n GLY 4100N 1.38 0.50 0.15 -0.13 0.00 -0.63 -4.94 105.19 101.52 1a49 n GLY 4100Ca 0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1a49 n GLY 4100CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a49 h PHE 4101N 0.00 0.61 -3.14 1.61 0.04 -1.09 -3.45 116.94 111.53 1a49 h PHE 4101Ca 0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1a49 h PHE 4101Cb 0.52 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 1a49 h PHE 4101CO 0.00 1.18 0.14 -0.59 -0.60 0.00 0.00 178.31 178.43 1a49 s PHE 4102N -3.18 -0.25 0.50 -0.55 -0.12 -1.20 -4.90 117.98 108.27 1a49 s PHE 4102Ca -0.06 -0.08 0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1a49 s PHE 4102Cb 0.08 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1a49 s PHE 4102CO 0.87 -0.99 0.15 0.15 -0.05 0.00 0.00 175.22 175.35 1a49 s LYS 4103N -3.85 2.20 0.26 1.99 1.02 -1.26 -4.10 119.74 115.99 1a49 s LYS 4103Ca 0.07 -2.18 -0.30 0.00 0.02 0.00 0.00 55.97 53.58 1a49 s LYS 4103Cb -0.02 -1.78 -0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1a49 s LYS 4103CO -0.03 -0.37 1.53 0.21 -0.92 0.00 0.00 175.35 175.77 1a49 s LYS 4104N -3.99 4.19 0.00 1.68 2.20 -1.26 -1.13 119.74 121.44 1a49 s LYS 4104Ca 0.22 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1a49 s LYS 4104Cb 0.01 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1a49 s LYS 4104CO 0.12 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1a49 n GLY 4105N 2.42 3.43 3.58 5.54 0.00 0.85 -4.93 105.19 116.08 1a49 n GLY 4105Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1a49 n GLY 4105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a49 s ASP 4106N -0.81 1.41 -0.03 1.61 1.01 -0.28 -4.63 116.67 114.95 1a49 s ASP 4106Ca 0.00 1.02 0.07 0.00 0.71 0.00 0.00 52.55 54.35 1a49 s ASP 4106Cb 0.00 -1.55 -0.02 0.00 1.01 0.00 0.00 42.92 42.36 1a49 s ASP 4106CO 0.00 -3.87 -0.24 0.68 0.21 0.00 0.00 175.17 171.95 1a49 s VAL 4107N -2.83 2.19 0.15 -1.27 -7.23 -1.26 -0.77 120.40 109.38 1a49 s VAL 4107Ca 0.68 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1a49 s VAL 4107Cb -0.17 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1a49 s VAL 4107CO 0.58 0.58 -0.01 0.68 -0.31 0.00 0.00 175.10 176.62 1a49 s VAL 4108N -0.57 0.66 -0.17 1.32 -7.23 0.53 0.44 120.40 115.38 1a49 s VAL 4108Ca 0.08 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1a49 s VAL 4108Cb -0.11 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1a49 s VAL 4108CO -0.00 -0.58 0.04 -0.63 -0.31 0.00 0.00 175.10 173.61 1a49 s ILE 4109N -3.66 4.57 -0.22 -0.62 -1.09 -0.37 -0.76 121.20 119.04 1a49 s ILE 4109Ca 0.21 -0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 1a49 s ILE 4109Cb 0.06 -3.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.92 1a49 s ILE 4109CO 0.02 0.48 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.41 1a49 s VAL 4110N 0.29 2.72 -0.23 2.92 1.01 0.16 0.20 120.40 127.47 1a49 s VAL 4110Ca 0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1a49 s VAL 4110Cb -0.13 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1a49 s VAL 4110CO 0.01 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.73 1a49 s LEU 4111N 1.34 3.42 0.28 3.92 1.43 0.43 -1.39 118.68 128.10 1a49 s LEU 4111Ca 0.02 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1a49 s LEU 4111Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1a49 s LEU 4111CO -0.07 0.01 0.22 0.42 0.23 0.00 0.00 176.35 177.16 1a49 s THR 4112N 1.37 0.00 -0.12 5.49 -4.23 0.33 -2.37 115.64 116.10 1a49 s THR 4112Ca 0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1a49 s THR 4112Cb -0.15 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1a49 s THR 4112CO 0.03 0.00 0.03 -0.83 -0.54 0.00 0.00 174.62 173.31 1a49 s GLY 4113N -3.29 1.91 0.09 3.99 0.00 -1.26 0.17 107.32 108.92 1a49 s GLY 4113Ca 0.40 -0.76 -0.28 0.00 0.00 0.00 0.00 44.72 44.08 1a49 s GLY 4113CO 0.22 -0.37 1.66 -0.25 0.00 0.00 0.00 173.10 174.35 1a49 h TRP 4114N 5.55 -0.60 -2.12 1.90 -0.00 -1.90 -3.45 115.95 115.34 1a49 h TRP 4114Ca -0.47 0.00 -0.59 0.00 -0.00 0.00 0.00 58.89 57.83 1a49 h TRP 4114Cb 1.19 0.23 -0.14 0.00 -0.00 0.00 0.00 29.16 30.44 1a49 h TRP 4114CO 0.63 -0.34 -0.67 1.03 -0.00 0.00 0.00 178.44 179.09 1a49 s ARG 4115N -6.09 1.76 0.61 2.65 0.52 -1.26 -5.00 118.95 112.14 1a49 s ARG 4115Ca -0.16 -1.91 -0.19 0.00 -0.52 0.00 0.00 55.73 52.96 1a49 s ARG 4115Cb 0.06 -1.55 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 1a49 s ARG 4115CO 0.64 0.10 1.27 -1.25 0.02 0.00 0.00 175.30 176.08 1a49 s PRO 4116N -3.65 2.79 -1.51 3.54 0.05 -1.26 -1.94 135.00 133.02 1a49 s PRO 4116Ca 0.32 2.00 -0.13 0.00 0.05 0.00 0.00 61.00 63.24 1a49 s PRO 4116Cb 0.03 -1.93 0.08 0.00 0.05 0.00 0.00 34.50 32.73 1a49 s PRO 4116CO 0.15 -1.40 0.89 0.41 0.05 0.00 0.00 177.00 177.11 1a49 n GLY 4117N 0.74 -0.50 0.23 0.56 0.00 -1.26 -4.82 105.19 100.13 1a49 n GLY 4117Ca 0.14 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.44 1a49 n GLY 4117CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a49 h SER 4118N -1.89 0.00 0.00 1.61 0.02 -1.77 -3.47 113.55 108.05 1a49 h SER 4118Ca -0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1a49 h SER 4118Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1a49 h SER 4118CO 0.65 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 1a49 n GLY 4119N -0.02 2.58 3.61 -3.77 0.00 -1.26 -4.98 105.19 101.35 1a49 n GLY 4119Ca -0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 1a49 n GLY 4119CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a49 s PHE 4120N -1.36 -0.21 -0.82 1.61 -0.71 -1.26 -5.02 117.98 110.21 1a49 s PHE 4120Ca 0.00 0.04 -0.25 0.00 -1.04 0.00 0.00 56.93 55.67 1a49 s PHE 4120Cb 0.00 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.36 1a49 s PHE 4120CO 0.00 -0.56 1.81 0.95 -1.34 0.00 0.00 175.22 176.08 1a49 s THR 4121N -3.01 3.50 -2.22 -4.49 -4.23 -1.26 -4.42 115.64 99.51 1a49 s THR 4121Ca 0.09 -0.19 0.26 0.00 -1.18 0.00 0.00 61.69 60.67 1a49 s THR 4121Cb -0.00 -4.18 0.33 0.00 1.34 0.00 0.00 72.50 69.98 1a49 s THR 4121CO -0.04 -1.12 1.53 -0.46 -0.54 0.00 0.00 174.62 173.99 1a49 n ASN 4122N 12.66 1.58 -4.19 3.99 0.23 0.19 -4.67 115.26 125.04 1a49 n ASN 4122Ca 0.31 -1.33 -0.33 0.00 -0.53 0.00 0.00 54.58 52.69 1a49 n ASN 4122Cb 0.49 0.11 -0.16 0.00 -2.08 0.00 0.00 39.78 38.15 1a49 n ASN 4122CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1a49 s THR 4123N -2.25 2.31 -0.10 5.53 2.01 0.44 -4.89 115.64 118.69 1a49 s THR 4123Ca 0.29 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.45 1a49 s THR 4123Cb 0.20 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1a49 s THR 4123CO 0.43 0.53 -0.24 -0.32 -0.69 0.00 0.00 174.62 174.33 1a49 s MET 4124N 0.99 3.00 0.02 4.92 1.75 -1.26 0.12 119.30 128.84 1a49 s MET 4124Ca -0.02 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 53.55 1a49 s MET 4124Cb -0.15 -2.27 -0.02 0.00 2.84 0.00 0.00 34.83 35.24 1a49 s MET 4124CO -0.05 0.18 -0.04 1.03 -0.65 0.00 0.00 175.02 175.50 1a49 s ARG 4125N 0.33 0.31 -0.24 4.11 0.52 -0.48 -4.98 118.95 118.53 1a49 s ARG 4125Ca -0.18 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.36 1a49 s ARG 4125Cb -0.18 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 1a49 s ARG 4125CO 0.09 -0.01 0.34 0.08 0.02 0.00 0.00 175.30 175.82 1a49 s VAL 4126N -1.14 5.22 0.01 3.52 1.01 -1.26 -0.66 120.40 127.10 1a49 s VAL 4126Ca -0.11 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 1a49 s VAL 4126Cb -0.08 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 1a49 s VAL 4126CO -0.01 0.23 0.09 0.68 0.00 0.00 0.00 175.10 176.10 1a49 s VAL 4127N 1.57 0.09 0.17 2.92 -7.23 0.06 -4.98 120.40 113.00 1a49 s VAL 4127Ca 0.15 -0.78 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 1a49 s VAL 4127Cb -0.15 -0.42 -0.08 0.00 0.56 0.00 0.00 36.38 36.30 1a49 s VAL 4127CO 0.08 -0.43 0.64 -2.16 -0.31 0.00 0.00 175.10 172.93 1a49 s PRO 4128N -1.49 4.16 -0.41 4.82 0.04 -1.26 -0.35 135.00 140.51 1a49 s PRO 4128Ca -0.15 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 1a49 s PRO 4128Cb -0.08 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1a49 s PRO 4128CO 0.01 0.47 1.10 0.08 0.04 0.00 0.00 177.00 178.70 1a49 s VAL 4129N -1.42 4.34 -0.42 -0.36 1.01 0.05 -4.90 120.40 118.70 1a49 s VAL 4129Ca 0.39 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1a49 s VAL 4129Cb -0.17 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1a49 s VAL 4129CO 0.20 -0.80 0.11 -2.65 0.00 0.00 0.00 175.10 171.96