#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9x s LYS 3503N 0.00 2.19 0.56 9.51 1.02 -1.26 -5.01 119.74 126.75 1a9x s LYS 3503Ca 0.00 -2.40 -0.18 0.00 0.02 0.00 0.00 55.97 53.41 1a9x s LYS 3503Cb 0.00 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1a9x s LYS 3503CO 0.00 -1.12 1.08 -1.12 -0.92 0.00 0.00 175.35 173.27 1a9x s SER 3504N 0.55 5.84 0.01 2.83 0.01 -1.26 -0.38 113.70 121.30 1a9x s SER 3504Ca 0.15 1.97 -0.20 0.00 1.31 0.00 0.00 55.95 59.18 1a9x s SER 3504Cb -0.22 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.49 1a9x s SER 3504CO -0.03 -1.13 0.44 0.00 0.41 0.00 0.00 173.24 172.93 1a9x s ALA 3505N -2.12 -1.10 -0.05 1.44 0.00 -0.90 -2.38 121.76 116.65 1a9x s ALA 3505Ca 0.68 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1a9x s ALA 3505Cb -0.19 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1a9x s ALA 3505CO 0.30 -0.38 0.27 -1.17 0.00 0.00 0.00 175.76 174.78 1a9x s LEU 3506N -1.62 0.98 -0.12 0.00 2.96 0.16 -2.22 118.68 118.82 1a9x s LEU 3506Ca -0.09 0.26 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1a9x s LEU 3506Cb -0.02 1.05 0.01 0.00 0.50 0.00 0.00 46.19 47.73 1a9x s LEU 3506CO 0.02 -0.28 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.33 1a9x s LEU 3507N -0.68 2.06 -0.05 -0.68 2.96 -0.27 -0.28 118.68 121.75 1a9x s LEU 3507Ca -0.08 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1a9x s LEU 3507Cb -0.04 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1a9x s LEU 3507CO 0.02 0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.34 1a9x s VAL 3508N 0.61 1.15 0.18 1.68 1.01 0.12 -0.58 120.40 124.57 1a9x s VAL 3508Ca -0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1a9x s VAL 3508Cb -0.17 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1a9x s VAL 3508CO 0.03 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.08 1a9x s LEU 3509N 0.30 4.25 0.55 3.92 1.43 -0.72 0.12 118.68 128.55 1a9x s LEU 3509Ca -0.07 0.38 0.30 0.00 -1.03 0.00 0.00 54.13 53.70 1a9x s LEU 3509Cb -0.12 -3.14 1.46 0.00 0.03 0.00 0.00 46.19 44.42 1a9x s LEU 3509CO 0.02 -0.01 1.91 1.05 0.23 0.00 0.00 176.35 179.55 1a9x h GLU 3510N 2.16 0.00 -0.00 1.70 4.11 -1.26 1.19 114.58 122.48 1a9x h GLU 3510Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1a9x h GLU 3510Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1a9x h GLU 3510CO 0.69 0.00 -0.02 -0.40 0.07 0.00 0.00 179.01 179.35 1a9x n ASP 3511N -4.12 0.23 0.00 3.06 5.75 -1.26 -4.82 116.55 115.40 1a9x n ASP 3511Ca 0.14 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1a9x n ASP 3511Cb 0.81 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1a9x n ASP 3511CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a9x n GLY 3512N 1.15 0.67 3.75 6.12 0.00 0.41 -5.04 105.19 112.25 1a9x n GLY 3512Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1a9x n GLY 3512CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a9x s THR 3513N -2.36 2.24 0.09 2.61 2.01 -1.24 -4.70 115.64 114.28 1a9x s THR 3513Ca 0.00 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.29 1a9x s THR 3513Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1a9x s THR 3513CO 0.00 0.03 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.67 1a9x s GLN 3514N -0.59 1.83 -0.12 4.92 -0.21 -1.26 -1.75 119.66 122.49 1a9x s GLN 3514Ca 0.61 -1.13 -0.04 0.00 0.02 0.00 0.00 55.36 54.83 1a9x s GLN 3514Cb -0.46 -2.11 0.05 0.00 1.00 0.00 0.00 33.01 31.49 1a9x s GLN 3514CO 0.48 0.50 0.07 -0.06 -2.12 0.00 0.00 175.29 174.16 1a9x s PHE 3515N -1.04 0.20 -0.19 0.91 0.08 0.26 -5.01 117.98 113.19 1a9x s PHE 3515Ca 0.16 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 56.97 1a9x s PHE 3515Cb -0.10 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1a9x s PHE 3515CO 0.08 -0.39 0.21 -1.01 -0.10 0.00 0.00 175.22 174.01 1a9x s HIS 3516N 2.13 3.43 0.00 0.36 3.76 -1.26 -1.11 115.29 122.60 1a9x s HIS 3516Ca 0.03 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 1a9x s HIS 3516Cb -0.14 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1a9x s HIS 3516CO -0.07 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1a9x n GLY 3517N 3.52 4.19 3.37 -2.22 0.00 -0.94 -4.62 105.19 108.48 1a9x n GLY 3517Ca -0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1a9x n GLY 3517CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a9x s ARG 3518N 1.79 1.55 -0.06 1.61 3.52 -0.32 -2.13 118.95 124.91 1a9x s ARG 3518Ca 0.00 -1.25 -0.30 0.00 -0.13 0.00 0.00 55.73 54.06 1a9x s ARG 3518Cb 0.00 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1a9x s ARG 3518CO 0.00 0.47 0.99 0.00 -0.81 0.00 0.00 175.30 175.95 1a9x s ALA 3519N -0.96 3.31 0.00 6.12 0.00 0.48 0.21 121.76 130.92 1a9x s ALA 3519Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1a9x s ALA 3519Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1a9x s ALA 3519CO 0.04 -0.45 0.39 0.44 0.00 0.00 0.00 175.76 176.18 1a9x n ILE 3520N 4.29 0.11 -0.42 0.00 -5.35 -0.85 -4.89 119.36 112.25 1a9x n ILE 3520Ca 0.08 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1a9x n ILE 3520Cb 0.50 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 1a9x n ILE 3520CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a9x n GLY 3521N -0.05 5.35 3.81 3.28 0.00 -1.23 -4.61 105.19 111.74 1a9x n GLY 3521Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1a9x n GLY 3521CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 3522N -2.00 2.34 0.16 4.61 0.00 0.24 -4.76 121.76 122.36 1a9x s ALA 3522Ca 0.00 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 1a9x s ALA 3522Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1a9x s ALA 3522CO 0.00 -1.64 0.74 0.99 0.00 0.00 0.00 175.76 175.85 1a9x s THR 3523N -3.17 4.45 -5.00 0.00 2.01 -1.26 -4.49 115.64 108.18 1a9x s THR 3523Ca 0.60 1.57 0.00 0.00 0.31 0.00 0.00 61.69 64.18 1a9x s THR 3523Cb -0.14 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1a9x s THR 3523CO 0.54 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.56 1a9x n GLY 3524N 1.47 0.34 3.08 4.40 0.00 0.13 -4.96 105.19 109.65 1a9x n GLY 3524Ca -0.06 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 1a9x n GLY 3524CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 3525N -4.00 0.72 -0.01 1.61 1.04 -1.26 0.24 113.70 112.04 1a9x s SER 3525Ca 0.00 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1a9x s SER 3525Cb 0.00 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1a9x s SER 3525CO 0.00 -0.40 -0.02 0.00 0.98 0.00 0.00 173.24 173.80 1a9x s ALA 3526N -2.66 0.30 -0.02 5.32 0.00 0.19 -4.93 121.76 119.97 1a9x s ALA 3526Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1a9x s ALA 3526Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1a9x s ALA 3526CO -0.04 0.03 -0.13 0.08 0.00 0.00 0.00 175.76 175.70 1a9x s VAL 3527N 0.26 1.07 -3.63 0.00 1.01 -1.26 0.12 120.40 117.97 1a9x s VAL 3527Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a9x s VAL 3527Cb -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1a9x s VAL 3527CO -0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1a9x n GLY 3528N 2.86 -1.52 3.70 4.51 0.00 -0.89 -4.76 105.19 109.09 1a9x n GLY 3528Ca -0.15 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1a9x n GLY 3528CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1a9x s GLU 3529N -1.54 4.39 -0.19 1.61 2.12 -0.51 -0.05 118.70 124.53 1a9x s GLU 3529Ca 0.00 1.00 -0.24 0.00 0.36 0.00 0.00 54.97 56.09 1a9x s GLU 3529Cb 0.00 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1a9x s GLU 3529CO 0.00 -0.12 0.80 0.08 -0.54 0.00 0.00 175.26 175.48 1a9x s VAL 3530N 1.40 4.90 0.17 3.70 1.01 -0.33 0.25 120.40 131.50 1a9x s VAL 3530Ca 0.40 1.55 0.07 0.00 0.00 0.00 0.00 61.98 64.00 1a9x s VAL 3530Cb -0.18 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1a9x s VAL 3530CO 0.17 0.02 -0.16 0.68 0.00 0.00 0.00 175.10 175.82 1a9x s VAL 3531N 2.24 1.64 -0.02 2.92 -7.23 -0.60 -4.06 120.40 115.30 1a9x s VAL 3531Ca 0.36 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1a9x s VAL 3531Cb -0.16 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.92 1a9x s VAL 3531CO 0.11 -0.45 -0.21 0.72 -0.31 0.00 0.00 175.10 174.96 1a9x s PHE 3532N -2.44 2.50 -0.10 2.82 -0.12 -1.26 -0.61 117.98 118.78 1a9x s PHE 3532Ca 0.16 -0.31 0.03 0.00 -0.05 0.00 0.00 56.93 56.76 1a9x s PHE 3532Cb -0.03 -1.54 0.01 0.00 -0.63 0.00 0.00 43.02 40.83 1a9x s PHE 3532CO 0.06 0.09 -0.19 1.21 -0.05 0.00 0.00 175.22 176.34 1a9x s ASN 3533N -0.79 2.57 0.00 1.98 3.84 -0.00 -4.52 114.94 118.01 1a9x s ASN 3533Ca 0.11 -0.46 0.21 0.00 0.21 0.00 0.00 52.86 52.94 1a9x s ASN 3533Cb -0.10 -1.18 0.87 0.00 -0.55 0.00 0.00 41.25 40.29 1a9x s ASN 3533CO 0.00 0.08 1.61 0.35 -2.79 0.00 0.00 177.10 176.36 1a9x n THR 3534N 3.80 0.15 -1.67 -5.21 -2.24 -0.46 -1.98 114.28 106.67 1a9x n THR 3534Ca -0.20 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 1a9x n THR 3534Cb 0.52 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1a9x n THR 3534CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1a9x n SER 3535N 0.08 4.09 -0.01 3.42 7.64 -1.26 -4.72 113.62 122.85 1a9x n SER 3535Ca 0.16 0.93 0.14 0.00 1.01 0.00 0.00 58.87 61.12 1a9x n SER 3535Cb 0.28 -1.52 0.63 0.00 -1.01 0.00 0.00 64.21 62.59 1a9x n SER 3535CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1a9x n MET 3536N 6.88 0.21 -4.02 1.43 2.81 -1.26 -4.60 117.12 118.57 1a9x n MET 3536Ca 0.20 -0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 1a9x n MET 3536Cb 0.39 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 1a9x n MET 3536CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1a9x s THR 3537N -2.80 0.04 0.00 2.03 -4.23 -1.26 -4.96 115.64 104.45 1a9x s THR 3537Ca 0.20 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1a9x s THR 3537Cb 0.19 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1a9x s THR 3537CO 0.52 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1a9x n GLY 3538N -0.26 0.69 0.31 3.99 0.00 -1.26 -4.86 105.19 103.80 1a9x n GLY 3538Ca -0.04 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.54 1a9x n GLY 3538CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1a9x h TYR 3539N 0.00 0.85 -0.14 1.61 -0.00 -1.93 -0.77 116.97 116.61 1a9x h TYR 3539Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.76 1a9x h TYR 3539Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 36.47 1a9x h TYR 3539CO 0.00 0.28 0.08 0.37 -0.00 0.00 0.00 178.16 178.88 1a9x h GLN 3540N 0.73 0.19 -0.91 0.10 4.15 -1.91 0.05 115.11 117.50 1a9x h GLN 3540Ca 0.45 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.86 1a9x h GLN 3540Cb 0.54 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 1a9x h GLN 3540CO -0.31 0.19 0.60 0.93 -1.93 0.00 0.00 178.83 178.31 1a9x h GLU 3541N 0.14 1.19 0.06 1.69 3.07 -1.39 -2.02 114.58 117.32 1a9x h GLU 3541Ca 0.05 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1a9x h GLU 3541Cb 0.05 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 1a9x h GLU 3541CO -0.01 0.79 -0.03 0.82 -1.40 0.00 0.00 179.01 179.18 1a9x h ILE 3542N 1.23 0.97 0.00 3.13 2.04 -0.57 -2.84 117.51 121.46 1a9x h ILE 3542Ca 0.34 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 1a9x h ILE 3542Cb -0.12 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1a9x h ILE 3542CO -0.08 0.03 -0.03 -0.07 0.00 0.00 0.00 178.15 178.00 1a9x h LEU 3543N -0.13 0.00 -2.79 1.44 3.38 -0.69 -2.37 115.31 114.15 1a9x h LEU 3543Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a9x h LEU 3543Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1a9x h LEU 3543CO 0.01 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.92 1a9x n THR 3544N -4.47 1.74 -3.26 0.22 -2.24 -0.79 -1.10 114.28 104.39 1a9x n THR 3544Ca -0.03 -1.03 -0.40 0.00 -2.27 0.00 0.00 64.05 60.33 1a9x n THR 3544Cb 0.11 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.21 1a9x n THR 3544CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a9x s ASP 3545N -0.77 6.39 0.57 3.42 2.15 -0.89 -3.11 116.67 124.43 1a9x s ASP 3545Ca 0.43 0.41 0.30 0.00 0.43 0.00 0.00 52.55 54.12 1a9x s ASP 3545Cb 0.29 -2.27 1.45 0.00 -0.30 0.00 0.00 42.92 42.09 1a9x s ASP 3545CO 0.18 -0.30 1.85 -0.65 -0.17 0.00 0.00 175.17 176.08 1a9x h PRO 3546N 8.11 0.00 0.00 4.34 0.11 -1.87 0.12 132.00 142.80 1a9x h PRO 3546Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1a9x h PRO 3546Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1a9x h PRO 3546CO 0.71 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 179.27 1a9x h SER 3547N 0.00 0.00 -0.42 -2.05 0.02 -1.86 -1.73 113.55 107.52 1a9x h SER 3547Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1a9x h SER 3547Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1a9x h SER 3547CO -0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1a9x n TYR 3548N -3.09 0.80 -1.70 3.45 4.01 0.40 -4.26 117.16 116.78 1a9x n TYR 3548Ca -0.03 -0.34 -0.44 0.00 -0.16 0.00 0.00 57.90 56.93 1a9x n TYR 3548Cb 0.08 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 1a9x n TYR 3548CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a9x n SER 3549N 0.69 3.44 -0.83 7.72 2.88 -0.65 -1.05 113.62 125.82 1a9x n SER 3549Ca 0.16 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1a9x n SER 3549Cb 0.51 -1.50 -0.05 0.00 -0.75 0.00 0.00 64.21 62.42 1a9x n SER 3549CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1a9x n ARG 3550N 3.00 -0.78 -5.01 -1.46 5.12 -1.25 -4.66 116.66 111.63 1a9x n ARG 3550Ca 0.14 0.87 -0.29 0.00 -1.93 0.00 0.00 57.85 56.64 1a9x n ARG 3550Cb 0.33 -4.84 -0.15 0.00 -1.16 0.00 0.00 32.46 26.64 1a9x n ARG 3550CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1a9x s GLN 3551N -2.88 1.79 -0.39 5.56 -0.21 -0.21 -1.43 119.66 121.88 1a9x s GLN 3551Ca 0.00 -0.93 -0.14 0.00 0.02 0.00 0.00 55.36 54.30 1a9x s GLN 3551Cb 0.00 -1.82 0.01 0.00 1.00 0.00 0.00 33.01 32.20 1a9x s GLN 3551CO 0.00 0.49 0.29 0.42 -2.12 0.00 0.00 175.29 174.37 1a9x s ILE 3552N -0.67 5.26 -0.25 1.08 1.01 0.14 -0.39 121.20 127.38 1a9x s ILE 3552Ca 0.10 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 1a9x s ILE 3552Cb -0.09 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1a9x s ILE 3552CO 0.00 -0.21 0.59 -0.69 0.00 0.00 0.00 174.94 174.63 1a9x s VAL 3553N 1.73 5.02 -0.18 2.92 1.01 -0.39 -1.55 120.40 128.96 1a9x s VAL 3553Ca 0.06 1.05 -0.08 0.00 0.00 0.00 0.00 61.98 63.01 1a9x s VAL 3553Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1a9x s VAL 3553CO 0.10 0.05 0.09 -0.89 0.00 0.00 0.00 175.10 174.46 1a9x s THR 3554N 2.39 5.05 -0.21 3.92 2.01 0.23 -0.22 115.64 128.81 1a9x s THR 3554Ca 0.25 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 1a9x s THR 3554Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1a9x s THR 3554CO 0.09 0.48 0.09 -0.76 -0.69 0.00 0.00 174.62 173.82 1a9x s LEU 3555N 0.14 3.81 0.26 4.42 1.43 -0.64 -0.82 118.68 127.27 1a9x s LEU 3555Ca 0.07 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1a9x s LEU 3555Cb -0.12 -1.99 0.31 0.00 0.03 0.00 0.00 46.19 44.43 1a9x s LEU 3555CO -0.00 0.11 1.59 0.71 0.23 0.00 0.00 176.35 178.99 1a9x h THR 3556N 5.03 1.41 -2.76 5.49 1.35 -1.72 -3.42 112.91 118.29 1a9x h THR 3556Ca -0.37 -2.03 -0.55 0.00 -0.55 0.00 0.00 66.41 62.91 1a9x h THR 3556Cb 1.17 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.63 1a9x h THR 3556CO 0.67 0.59 0.98 -0.47 -0.25 0.00 0.00 175.52 177.04 1a9x s TYR 3557N -3.70 2.42 0.19 4.73 5.04 -1.26 -4.93 117.35 119.84 1a9x s TYR 3557Ca -0.03 0.57 -0.12 0.00 -2.44 0.00 0.00 57.07 55.05 1a9x s TYR 3557Cb 0.12 -3.74 0.22 0.00 0.35 0.00 0.00 41.96 38.91 1a9x s TYR 3557CO 0.78 -2.92 1.73 -1.00 -1.34 0.00 0.00 175.55 172.81 1a9x h PRO 3558N 8.78 0.32 -4.84 4.97 0.13 -1.94 -3.39 132.00 136.03 1a9x h PRO 3558Ca -0.35 -0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 64.07 1a9x h PRO 3558Cb 1.15 -0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 1a9x h PRO 3558CO 0.95 0.21 -0.11 -1.01 -0.23 0.00 0.00 178.00 177.81 1a9x s HIS 3559N -6.12 3.13 -0.20 1.56 3.76 -1.26 -0.46 115.29 115.69 1a9x s HIS 3559Ca -0.13 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.24 1a9x s HIS 3559Cb 0.16 -3.22 -0.00 0.00 1.11 0.00 0.00 32.58 30.63 1a9x s HIS 3559CO 0.73 -0.86 -0.09 0.42 -0.85 0.00 0.00 174.74 174.09 1a9x s ILE 3560N 2.28 3.00 0.00 0.60 -1.09 -0.97 -4.48 121.20 120.53 1a9x s ILE 3560Ca 0.12 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1a9x s ILE 3560Cb -0.19 -2.33 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1a9x s ILE 3560CO 0.12 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1a9x n GLY 3561N 4.65 1.22 0.42 6.18 0.00 -1.26 -4.18 105.19 112.21 1a9x n GLY 3561Ca -0.19 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.07 1a9x n GLY 3561CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a9x h ASN 3562N 0.00 0.00 -0.28 1.61 2.35 -1.83 -1.38 115.58 116.05 1a9x h ASN 3562Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a9x h ASN 3562Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1a9x h ASN 3562CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1a9x n VAL 3563N -4.24 1.68 -4.71 2.81 0.24 -1.26 0.56 118.33 113.41 1a9x n VAL 3563Ca 0.14 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.95 1a9x n VAL 3563Cb 0.78 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 1a9x n VAL 3563CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a9x n GLY 3564N -0.10 2.19 3.62 7.63 0.00 -0.52 -4.14 105.19 113.88 1a9x n GLY 3564Ca 0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1a9x n GLY 3564CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 3565N 0.00 0.01 0.07 2.61 -4.23 -0.60 -4.68 115.64 108.82 1a9x s THR 3565Ca 0.00 -1.08 -0.26 0.00 -1.18 0.00 0.00 61.69 59.17 1a9x s THR 3565Cb 0.00 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 72.01 1a9x s THR 3565CO 0.00 -0.05 0.68 0.54 -0.54 0.00 0.00 174.62 175.25 1a9x s ASN 3566N -2.94 -0.55 0.26 3.99 2.20 -1.26 0.13 114.94 116.76 1a9x s ASN 3566Ca 0.15 0.19 -0.05 0.00 -0.94 0.00 0.00 52.86 52.21 1a9x s ASN 3566Cb -0.02 0.54 0.30 0.00 -2.00 0.00 0.00 41.25 40.08 1a9x s ASN 3566CO 0.04 -0.80 1.87 0.44 -2.94 0.00 0.00 177.10 175.71 1a9x h ASP 3567N 2.26 1.01 -0.19 3.54 3.32 -1.99 -1.29 116.42 123.09 1a9x h ASP 3567Ca -0.30 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.71 1a9x h ASP 3567Cb 1.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1a9x h ASP 3567CO 0.37 0.83 0.28 0.00 -1.72 0.00 0.00 179.24 179.00 1a9x h ALA 3568N 1.33 1.72 -0.32 3.45 0.00 -1.98 -0.71 119.26 122.76 1a9x h ALA 3568Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a9x h ALA 3568Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a9x h ALA 3568CO -0.04 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1a9x n ASP 3569N -3.52 3.27 -4.82 0.00 8.00 -0.49 -4.87 116.55 114.13 1a9x n ASP 3569Ca 0.02 -2.41 -0.36 0.00 0.71 0.00 0.00 54.79 52.75 1a9x n ASP 3569Cb 0.40 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 1a9x n ASP 3569CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a9x s GLU 3570N -1.86 3.77 0.00 -1.24 2.02 -0.28 -3.35 118.70 117.77 1a9x s GLU 3570Ca 0.28 -0.14 0.19 0.00 0.02 0.00 0.00 54.97 55.33 1a9x s GLU 3570Cb 0.21 -3.29 0.55 0.00 0.10 0.00 0.00 34.13 31.70 1a9x s GLU 3570CO 0.10 0.57 1.44 0.39 0.02 0.00 0.00 175.26 177.78 1a9x n GLU 3571N 2.62 2.02 -3.94 1.61 -0.58 -1.25 -4.83 120.64 116.30 1a9x n GLU 3571Ca -0.18 -1.56 -0.00 0.00 -0.42 0.00 0.00 57.16 55.00 1a9x n GLU 3571Cb 0.54 -1.41 0.02 0.00 -0.57 0.00 0.00 31.44 30.02 1a9x n GLU 3571CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1a9x s SER 3572N -1.33 0.01 0.63 1.62 1.04 -1.18 -0.84 113.70 113.64 1a9x s SER 3572Ca 0.33 -0.44 0.39 0.00 0.48 0.00 0.00 55.95 56.72 1a9x s SER 3572Cb 0.18 0.32 2.13 0.00 0.10 0.00 0.00 66.02 68.75 1a9x s SER 3572CO 0.25 -0.63 2.29 0.77 0.98 0.00 0.00 173.24 176.90 1a9x h SER 3573N 2.00 0.00 -5.12 7.02 4.64 -1.91 -3.46 113.55 116.72 1a9x h SER 3573Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1a9x h SER 3573Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1a9x h SER 3573CO 0.34 0.01 0.13 0.00 -0.87 0.00 0.00 176.83 176.44 1a9x s GLN 3574N -4.20 1.96 -0.21 4.77 -2.07 -1.26 -5.12 119.66 113.53 1a9x s GLN 3574Ca -0.04 -1.34 -0.29 0.00 -1.82 0.00 0.00 55.36 51.86 1a9x s GLN 3574Cb 0.13 0.57 -0.01 0.00 -1.09 0.00 0.00 33.01 32.61 1a9x s GLN 3574CO 0.47 -0.89 1.25 0.08 -1.32 0.00 0.00 175.29 174.88 1a9x s VAL 3575N -3.11 4.29 -0.56 3.63 1.01 -1.26 -4.47 120.40 119.92 1a9x s VAL 3575Ca 0.18 1.54 0.22 0.00 0.00 0.00 0.00 61.98 63.91 1a9x s VAL 3575Cb -0.04 -4.07 -0.27 0.00 0.00 0.00 0.00 36.38 31.99 1a9x s VAL 3575CO 0.11 -0.22 0.72 1.41 0.00 0.00 0.00 175.10 177.12 1a9x n HIS 3576N 6.82 0.01 -1.78 5.22 -0.00 -0.26 -4.90 115.22 120.33 1a9x n HIS 3576Ca 0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 1a9x n HIS 3576Cb 0.45 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.99 30.20 1a9x n HIS 3576CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a9x s ALA 3577N -3.23 3.68 0.27 -1.41 0.00 -1.05 -3.50 121.76 116.52 1a9x s ALA 3577Ca 0.01 1.58 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1a9x s ALA 3577Cb 0.15 -3.63 0.37 0.00 0.00 0.00 0.00 23.12 20.00 1a9x s ALA 3577CO 0.88 -1.02 1.63 0.37 0.00 0.00 0.00 175.76 177.62 1a9x h GLN 3578N 4.08 0.12 -2.17 0.00 5.75 -0.87 -3.47 115.11 118.55 1a9x h GLN 3578Ca -0.49 -0.08 0.19 0.00 -0.15 0.00 0.00 58.65 58.13 1a9x h GLN 3578Cb 1.23 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.68 1a9x h GLN 3578CO 0.73 0.65 0.55 0.20 -2.65 0.00 0.00 178.83 178.31 1a9x s GLY 3579N -4.37 -0.31 -0.06 2.39 0.00 -1.23 -4.38 107.32 99.38 1a9x s GLY 3579Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1a9x s GLY 3579CO 0.77 0.10 -0.08 -2.27 0.00 0.00 0.00 173.10 171.62 1a9x s LEU 3580N -2.83 1.47 -0.17 0.66 2.96 -1.10 -1.27 118.68 118.40 1a9x s LEU 3580Ca 0.11 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1a9x s LEU 3580Cb -0.00 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1a9x s LEU 3580CO -0.01 -0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.14 1a9x s VAL 3581N 0.81 2.34 0.20 1.68 1.01 0.70 -1.13 120.40 126.01 1a9x s VAL 3581Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1a9x s VAL 3581Cb -0.15 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1a9x s VAL 3581CO 0.02 0.52 0.04 0.27 0.00 0.00 0.00 175.10 175.95 1a9x s ILE 3582N 1.06 0.55 -0.12 2.22 -4.36 -0.64 -1.63 121.20 118.29 1a9x s ILE 3582Ca -0.01 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.29 1a9x s ILE 3582Cb -0.14 -2.29 -0.26 0.00 1.25 0.00 0.00 42.46 41.01 1a9x s ILE 3582CO -0.06 -0.30 0.44 -0.09 0.24 0.00 0.00 174.94 175.17 1a9x h ARG 3583N 2.61 0.25 -2.95 0.37 9.65 -1.74 -3.00 114.38 119.57 1a9x h ARG 3583Ca -0.37 -0.43 -0.17 0.00 -1.10 0.00 0.00 59.98 57.92 1a9x h ARG 3583Cb 1.22 0.16 -0.28 0.00 -1.39 0.00 0.00 29.97 29.68 1a9x h ARG 3583CO 0.61 1.20 -0.42 0.34 2.80 0.00 0.00 179.97 184.51 1a9x s ASP 3584N -7.06 -0.33 -0.29 -3.80 -1.08 0.39 -1.36 116.67 103.14 1a9x s ASP 3584Ca -0.22 0.62 -0.14 0.00 -0.52 0.00 0.00 52.55 52.29 1a9x s ASP 3584Cb 0.06 0.53 -0.03 0.00 -1.46 0.00 0.00 42.92 42.02 1a9x s ASP 3584CO 0.76 -0.15 0.31 -0.22 0.52 0.00 0.00 175.17 176.38 1a9x s LEU 3585N 0.98 4.14 0.66 -1.34 2.96 -1.26 -2.30 118.68 122.52 1a9x s LEU 3585Ca -0.07 0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 1a9x s LEU 3585Cb -0.08 -2.29 -0.00 0.00 0.50 0.00 0.00 46.19 44.32 1a9x s LEU 3585CO -0.07 -0.18 1.18 -2.16 -1.32 0.00 0.00 176.35 173.80 1a9x s PRO 3586N 1.94 2.63 0.20 0.98 0.04 -1.26 -4.93 135.00 134.61 1a9x s PRO 3586Ca 0.11 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1a9x s PRO 3586Cb -0.16 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 32.74 1a9x s PRO 3586CO 0.11 -1.44 1.72 -0.07 0.04 0.00 0.00 177.00 177.36 1a9x h LEU 3587N 0.26 0.05 -8.64 -3.56 4.07 -1.97 -3.44 115.31 102.09 1a9x h LEU 3587Ca -0.49 0.10 -0.29 0.00 0.08 0.00 0.00 57.88 57.28 1a9x h LEU 3587Cb 1.28 0.12 -0.15 0.00 1.08 0.00 0.00 40.66 43.00 1a9x h LEU 3587CO 0.53 0.04 -0.68 0.27 -1.08 0.00 0.00 178.44 177.53 1a9x s ILE 3588N -6.11 0.78 -0.08 1.22 -4.36 -1.26 -5.13 121.20 106.26 1a9x s ILE 3588Ca -0.13 -1.99 -0.08 0.00 -0.26 0.00 0.00 60.65 58.20 1a9x s ILE 3588Cb 0.17 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1a9x s ILE 3588CO 0.74 -0.57 0.19 0.00 0.24 0.00 0.00 174.94 175.54 1a9x s ALA 3589N -3.58 3.86 -0.34 2.27 0.00 -1.26 -4.67 121.76 118.04 1a9x s ALA 3589Ca 0.21 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1a9x s ALA 3589Cb 0.05 -2.03 0.13 0.00 0.00 0.00 0.00 23.12 21.27 1a9x s ALA 3589CO 0.02 0.62 0.18 0.45 0.00 0.00 0.00 175.76 177.04 1a9x s SER 3590N -1.21 3.29 -0.29 0.00 0.15 0.19 -4.84 113.70 110.99 1a9x s SER 3590Ca 0.19 -1.97 -0.19 0.00 0.70 0.00 0.00 55.95 54.68 1a9x s SER 3590Cb -0.13 -0.51 0.18 0.00 -1.71 0.00 0.00 66.02 63.85 1a9x s SER 3590CO 0.08 -0.35 1.19 0.21 1.20 0.00 0.00 173.24 175.57 1a9x s ASN 3591N 1.29 -0.23 0.64 5.45 3.84 -1.26 -4.69 114.94 119.97 1a9x s ASN 3591Ca 0.15 0.39 0.25 0.00 0.21 0.00 0.00 52.86 53.86 1a9x s ASN 3591Cb -0.21 0.89 1.33 0.00 -0.55 0.00 0.00 41.25 42.71 1a9x s ASN 3591CO -0.11 -0.06 1.76 2.19 -2.79 0.00 0.00 177.10 178.09 1a9x h PHE 3592N 4.92 0.00 0.00 0.43 -0.00 -1.99 -1.35 116.94 118.96 1a9x h PHE 3592Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.70 1a9x h PHE 3592Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1a9x h PHE 3592CO 0.18 0.00 -0.76 0.00 -0.00 0.00 0.00 178.31 177.74 1a9x h ARG 3593N 0.00 0.00 -6.72 6.09 3.08 -1.95 -3.47 114.38 111.41 1a9x h ARG 3593Ca 0.08 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.60 1a9x h ARG 3593Cb 1.10 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.22 1a9x h ARG 3593CO -0.00 0.00 0.94 -1.71 -1.07 0.00 0.00 179.97 178.13 1a9x n ASN 3594N -2.26 3.88 0.00 7.04 5.15 -0.51 -4.56 115.26 124.00 1a9x n ASN 3594Ca 0.02 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 1a9x n ASN 3594Cb 0.47 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1a9x n ASN 3594CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1a9x n THR 3595N 3.03 0.00 -3.63 -0.44 -2.24 0.34 -4.90 114.28 106.45 1a9x n THR 3595Ca 0.12 -0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1a9x n THR 3595Cb 0.35 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1a9x n THR 3595CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a9x s GLU 3596N -1.01 0.55 0.64 -0.78 2.12 -1.15 -4.99 118.70 114.08 1a9x s GLU 3596Ca 0.00 1.00 -0.18 0.00 0.36 0.00 0.00 54.97 56.15 1a9x s GLU 3596Cb 0.00 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.56 1a9x s GLU 3596CO 0.00 -0.12 1.20 -0.40 -0.54 0.00 0.00 175.26 175.39 1a9x n ASP 3597N 4.21 1.68 -0.20 -1.70 5.75 -1.26 -1.56 116.55 123.48 1a9x n ASP 3597Ca -0.18 0.82 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 1a9x n ASP 3597Cb 0.57 -1.51 0.11 0.00 -1.03 0.00 0.00 41.12 39.26 1a9x n ASP 3597CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1a9x h LEU 3598N 0.48 0.13 -0.23 -2.12 5.85 -1.84 -0.78 115.31 116.80 1a9x h LEU 3598Ca -0.50 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 3598Cb 1.35 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1a9x h LEU 3598CO 0.52 0.08 0.11 -1.28 -0.34 0.00 0.00 178.44 177.52 1a9x h SER 3599N 0.34 0.31 -0.91 1.25 0.87 -1.91 -0.14 113.55 113.35 1a9x h SER 3599Ca 0.31 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1a9x h SER 3599Cb 0.42 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 1a9x h SER 3599CO -0.34 0.36 0.58 0.28 -0.53 0.00 0.00 176.83 177.17 1a9x h SER 3600N 0.24 0.94 -0.05 6.23 0.02 -1.76 -1.93 113.55 117.23 1a9x h SER 3600Ca 0.08 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1a9x h SER 3600Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1a9x h SER 3600CO -0.01 0.61 -0.01 0.22 -1.14 0.00 0.00 176.83 176.51 1a9x h TYR 3601N 1.08 -0.01 0.09 3.45 3.20 -0.68 0.50 116.97 124.60 1a9x h TYR 3601Ca 0.38 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1a9x h TYR 3601Cb 0.11 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1a9x h TYR 3601CO -0.02 -0.01 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.24 1a9x h LEU 3602N 0.01 -0.49 -0.24 2.82 3.38 -0.70 -1.00 115.31 119.09 1a9x h LEU 3602Ca 0.02 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1a9x h LEU 3602Cb 0.03 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 1a9x h LEU 3602CO -0.04 -0.25 -0.35 0.11 0.09 0.00 0.00 178.44 178.00 1a9x h LYS 3603N -0.34 -0.35 -0.64 1.13 1.57 -1.23 0.44 116.57 117.15 1a9x h LYS 3603Ca 0.03 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1a9x h LYS 3603Cb 0.36 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1a9x h LYS 3603CO -0.10 -0.23 0.45 -0.09 -0.57 0.00 0.00 179.45 178.90 1a9x h ARG 3604N -0.36 0.16 -0.07 3.15 2.43 -0.57 0.27 114.38 119.38 1a9x h ARG 3604Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1a9x h ARG 3604Cb 0.56 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1a9x h ARG 3604CO -0.44 0.11 0.00 0.72 -1.51 0.00 0.00 179.97 178.85 1a9x n HIS 3605N -4.41 0.07 -3.37 2.20 8.25 0.60 -4.95 115.22 113.62 1a9x n HIS 3605Ca 0.12 -0.04 -0.18 0.00 -0.26 0.00 0.00 57.72 57.36 1a9x n HIS 3605Cb 0.60 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.78 1a9x n HIS 3605CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a9x n ASN 3606N 0.65 -4.06 -4.69 0.41 3.02 0.12 -4.96 115.26 105.76 1a9x n ASN 3606Ca 0.17 -0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 53.86 1a9x n ASN 3606Cb 0.45 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 34.99 1a9x n ASN 3606CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1a9x s ILE 3607N -3.30 4.53 -0.14 2.41 -1.09 -0.27 -4.80 121.20 118.53 1a9x s ILE 3607Ca 0.27 -0.16 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1a9x s ILE 3607Cb -0.12 -2.94 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1a9x s ILE 3607CO 0.64 0.58 0.83 -0.69 -1.23 0.00 0.00 174.94 175.07 1a9x s VAL 3608N -0.67 4.90 -0.01 2.92 1.01 -1.26 0.83 120.40 128.12 1a9x s VAL 3608Ca 0.11 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.71 1a9x s VAL 3608Cb -0.12 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1a9x s VAL 3608CO 0.02 0.07 0.06 0.00 0.00 0.00 0.00 175.10 175.25 1a9x s ALA 3609N 1.88 -0.12 -0.02 5.51 0.00 -1.26 -2.73 121.76 125.01 1a9x s ALA 3609Ca 0.39 -0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1a9x s ALA 3609Cb -0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1a9x s ALA 3609CO 0.14 -0.08 -0.20 -1.50 0.00 0.00 0.00 175.76 174.11 1a9x s ILE 3610N -0.49 1.63 0.40 0.00 2.07 -0.29 -2.00 121.20 122.52 1a9x s ILE 3610Ca -0.06 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.32 1a9x s ILE 3610Cb -0.04 -1.37 0.01 0.00 0.13 0.00 0.00 42.46 41.20 1a9x s ILE 3610CO 0.00 0.46 0.06 0.00 -1.91 0.00 0.00 174.94 173.55 1a9x n ALA 3611N 2.71 0.40 -3.74 1.50 0.00 0.13 -1.62 120.51 119.88 1a9x n ALA 3611Ca -0.16 -1.76 -0.25 0.00 0.00 0.00 0.00 53.44 51.27 1a9x n ALA 3611Cb 0.53 0.92 0.04 0.00 0.00 0.00 0.00 19.45 20.94 1a9x n ALA 3611CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a9x n ASP 3612N -1.36 -3.63 -4.34 0.00 8.00 -0.46 -1.17 116.55 113.59 1a9x n ASP 3612Ca -0.14 -0.73 -0.21 0.00 0.71 0.00 0.00 54.79 54.42 1a9x n ASP 3612Cb 0.50 -4.27 -0.11 0.00 -0.02 0.00 0.00 41.12 37.22 1a9x n ASP 3612CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1a9x s ILE 3613N -3.43 1.85 -1.14 0.53 -5.25 -1.24 -4.51 121.20 108.01 1a9x s ILE 3613Ca 0.37 -2.01 -0.22 0.00 -0.99 0.00 0.00 60.65 57.80 1a9x s ILE 3613Cb -0.18 -1.91 -0.01 0.00 2.95 0.00 0.00 42.46 43.31 1a9x s ILE 3613CO 0.80 -0.37 1.79 -0.62 -1.79 0.00 0.00 174.94 174.74 1a9x s ASP 3614N -2.85 5.88 0.43 4.36 -1.08 -1.26 -4.29 116.67 117.86 1a9x s ASP 3614Ca 0.18 -1.68 0.30 0.00 -0.52 0.00 0.00 52.55 50.83 1a9x s ASP 3614Cb -0.05 -2.58 1.51 0.00 -1.46 0.00 0.00 42.92 40.35 1a9x s ASP 3614CO 0.07 -2.14 1.90 0.71 0.52 0.00 0.00 175.17 176.23 1a9x h THR 3615N 6.31 0.00 -0.00 1.71 1.35 -1.92 -2.06 112.91 118.31 1a9x h THR 3615Ca 0.26 -0.10 -0.12 0.00 -0.55 0.00 0.00 66.41 65.90 1a9x h THR 3615Cb 0.94 0.83 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1a9x h THR 3615CO 1.33 0.00 -0.47 -0.09 -0.25 0.00 0.00 175.52 176.04 1a9x h ARG 3616N 0.00 0.32 -0.71 4.72 2.43 -1.92 -0.47 114.38 118.75 1a9x h ARG 3616Ca 0.00 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1a9x h ARG 3616Cb 0.12 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1a9x h ARG 3616CO 0.00 1.03 0.22 -0.22 -1.51 0.00 0.00 179.97 179.49 1a9x h LYS 3617N -0.25 1.11 -0.17 0.20 3.64 -1.84 0.36 116.57 119.62 1a9x h LYS 3617Ca -0.06 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1a9x h LYS 3617Cb 1.19 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1a9x h LYS 3617CO 0.09 0.96 0.11 1.25 -2.27 0.00 0.00 179.45 179.59 1a9x h LEU 3618N 1.05 0.20 -0.15 5.20 5.85 -1.39 -2.01 115.31 124.07 1a9x h LEU 3618Ca 0.23 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1a9x h LEU 3618Cb 0.31 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1a9x h LEU 3618CO -0.01 0.18 0.07 0.74 -0.34 0.00 0.00 178.44 179.08 1a9x h THR 3619N 0.21 1.14 -0.86 1.05 2.02 -0.70 -0.51 112.91 115.26 1a9x h THR 3619Ca 0.06 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 66.90 1a9x h THR 3619Cb 0.01 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1a9x h THR 3619CO -0.01 0.13 0.56 0.03 0.37 0.00 0.00 175.52 176.60 1a9x h ARG 3620N 0.10 0.88 -0.15 6.66 3.08 -0.19 -0.08 114.38 124.69 1a9x h ARG 3620Ca 0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1a9x h ARG 3620Cb 0.15 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1a9x h ARG 3620CO -0.01 0.59 -0.03 1.25 -1.07 0.00 0.00 179.97 180.70 1a9x h LEU 3621N 0.91 0.29 -0.96 3.04 5.85 -1.02 -0.61 115.31 122.81 1a9x h LEU 3621Ca 0.38 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1a9x h LEU 3621Cb 0.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1a9x h LEU 3621CO -0.15 0.58 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.09 1a9x h LEU 3622N -0.01 0.30 -0.33 2.25 3.38 -0.68 -0.54 115.31 119.69 1a9x h LEU 3622Ca 0.04 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1a9x h LEU 3622Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1a9x h LEU 3622CO 0.01 0.65 -0.04 -0.09 0.09 0.00 0.00 178.44 179.07 1a9x h ARG 3623N 0.25 0.60 -0.18 1.13 2.43 -0.85 0.21 114.38 117.97 1a9x h ARG 3623Ca 0.03 -0.21 -0.21 0.00 -0.81 0.00 0.00 59.98 58.78 1a9x h ARG 3623Cb 0.77 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1a9x h ARG 3623CO 0.06 0.75 -0.70 0.93 -1.51 0.00 0.00 179.97 179.50 1a9x h GLU 3624N 0.39 0.79 0.00 0.20 4.39 -0.89 -3.36 114.58 116.10 1a9x h GLU 3624Ca 0.09 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1a9x h GLU 3624Cb 0.51 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1a9x h GLU 3624CO 0.02 1.22 -1.32 1.63 -1.16 0.00 0.00 179.01 179.40 1a9x n LYS 3625N -3.99 0.77 0.00 2.33 5.02 -0.23 -5.09 118.16 116.97 1a9x n LYS 3625Ca -0.07 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1a9x n LYS 3625Cb 0.71 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1a9x n LYS 3625CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a9x n GLY 3626N 1.43 0.64 3.53 0.72 0.00 0.73 -4.97 105.19 107.25 1a9x n GLY 3626Ca 0.00 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1a9x n GLY 3626CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x n ALA 3627N 0.94 -0.73 -2.63 4.61 0.00 -0.47 -4.57 120.51 117.66 1a9x n ALA 3627Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1a9x n ALA 3627Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 1a9x n ALA 3627CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1a9x s GLN 3628N -2.55 0.63 0.35 0.00 -0.21 -1.26 -5.03 119.66 111.59 1a9x s GLN 3628Ca 0.71 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 55.15 1a9x s GLN 3628Cb -0.41 0.24 -0.07 0.00 1.00 0.00 0.00 33.01 33.78 1a9x s GLN 3628CO 0.52 -0.16 0.71 -0.80 -2.12 0.00 0.00 175.29 173.44 1a9x s ASN 3629N -2.32 6.58 0.33 5.90 0.01 -1.26 -1.18 114.94 122.99 1a9x s ASN 3629Ca -0.02 1.09 -0.09 0.00 -0.71 0.00 0.00 52.86 53.12 1a9x s ASN 3629Cb 0.01 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.38 1a9x s ASN 3629CO -0.06 -0.30 0.56 -0.83 -1.51 0.00 0.00 177.10 174.97 1a9x s GLY 3630N -2.88 0.90 -0.00 0.66 0.00 0.93 -0.82 107.32 106.10 1a9x s GLY 3630Ca 0.50 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 1a9x s GLY 3630CO 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 173.10 172.69 1a9x s ILE 3632N -0.34 2.92 -0.12 0.00 1.01 0.32 -0.70 121.20 124.30 1a9x s ILE 3632Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1a9x s ILE 3632Cb -0.02 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1a9x s ILE 3632CO -0.00 0.54 -0.19 -0.63 0.00 0.00 0.00 174.94 174.66 1a9x s ILE 3633N 0.16 1.80 -0.15 2.92 1.01 0.61 0.55 121.20 128.09 1a9x s ILE 3633Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.76 1a9x s ILE 3633Cb -0.15 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1a9x s ILE 3633CO 0.05 0.50 -0.19 0.00 0.00 0.00 0.00 174.94 175.30 1a9x s ALA 3634N 0.83 2.17 0.00 9.38 0.00 0.14 0.36 121.76 134.64 1a9x s ALA 3634Ca -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1a9x s ALA 3634Cb -0.16 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1a9x s ALA 3634CO -0.01 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1a9x n GLY 3635N 4.40 -1.75 0.44 0.00 0.00 -1.00 0.20 105.19 107.48 1a9x n GLY 3635Ca -0.20 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 1a9x n GLY 3635CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a9x h ASP 3636N 0.00 -2.03 -3.12 1.61 3.32 -1.95 -3.34 116.42 110.92 1a9x h ASP 3636Ca 0.00 0.29 -0.59 0.00 0.02 0.00 0.00 57.03 56.75 1a9x h ASP 3636Cb 0.00 0.87 -0.40 0.00 0.22 0.00 0.00 39.33 40.02 1a9x h ASP 3636CO 0.00 -0.31 -0.78 0.20 -1.72 0.00 0.00 179.24 176.63 1a9x s ASN 3637N -5.29 3.52 0.15 6.45 -0.87 -1.26 -4.67 114.94 112.97 1a9x s ASN 3637Ca -0.13 -2.21 -0.31 0.00 -1.57 0.00 0.00 52.86 48.63 1a9x s ASN 3637Cb 0.10 -0.77 -0.10 0.00 -0.02 0.00 0.00 41.25 40.46 1a9x s ASN 3637CO 0.62 -0.32 1.59 -2.84 -2.57 0.00 0.00 177.10 173.57 1a9x s PRO 3638N 0.93 4.21 -0.68 -0.60 0.02 -1.25 -4.91 135.00 132.73 1a9x s PRO 3638Ca 0.16 2.36 -0.26 0.00 0.02 0.00 0.00 61.00 63.27 1a9x s PRO 3638Cb -0.22 -3.25 0.04 0.00 0.02 0.00 0.00 34.50 31.09 1a9x s PRO 3638CO -0.07 -0.63 1.16 0.34 -0.33 0.00 0.00 177.00 177.47 1a9x s ASP 3639N 1.41 6.23 0.56 2.53 2.15 -1.26 -4.92 116.67 123.37 1a9x s ASP 3639Ca 0.71 -0.46 0.30 0.00 0.43 0.00 0.00 52.55 53.53 1a9x s ASP 3639Cb -0.43 -2.52 1.68 0.00 -0.30 0.00 0.00 42.92 41.35 1a9x s ASP 3639CO 0.31 -1.63 2.17 0.00 -0.17 0.00 0.00 175.17 175.86 1a9x h ALA 3640N 9.77 1.37 0.17 3.66 0.00 -2.00 -1.36 119.26 130.88 1a9x h ALA 3640Ca -0.27 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 1a9x h ALA 3640Cb 1.06 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.85 1a9x h ALA 3640CO 1.22 0.07 -1.33 0.00 0.00 0.00 0.00 179.25 179.21 1a9x h ALA 3641N 1.94 0.03 -0.65 0.00 0.00 -2.00 -2.77 119.26 115.82 1a9x h ALA 3641Ca -0.00 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1a9x h ALA 3641Cb 0.16 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1a9x h ALA 3641CO 0.01 0.91 0.10 1.25 0.00 0.00 0.00 179.25 181.51 1a9x h LEU 3642N 0.10 1.03 -0.66 0.00 5.85 -1.84 -0.81 115.31 118.97 1a9x h LEU 3642Ca -0.18 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 1a9x h LEU 3642Cb 2.03 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1a9x h LEU 3642CO 0.22 1.03 0.41 0.00 -0.34 0.00 0.00 178.44 179.76 1a9x h ALA 3643N 1.09 0.84 -0.57 1.25 0.00 -1.31 -1.01 119.26 119.54 1a9x h ALA 3643Ca 0.20 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1a9x h ALA 3643Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1a9x h ALA 3643CO 0.01 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.76 1a9x h LEU 3644N 0.90 1.04 0.33 0.00 5.85 -1.27 -0.46 115.31 121.71 1a9x h LEU 3644Ca 0.24 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1a9x h LEU 3644Cb -0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1a9x h LEU 3644CO -0.05 1.12 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.84 1a9x h GLU 3645N 0.94 -0.57 -0.91 1.25 4.81 -0.80 0.53 114.58 119.82 1a9x h GLU 3645Ca 0.16 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1a9x h GLU 3645Cb 0.62 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1a9x h GLU 3645CO 0.04 -0.38 0.55 0.87 -0.73 0.00 0.00 179.01 179.36 1a9x h LYS 3646N -0.59 0.90 -0.29 1.92 1.57 -1.00 0.24 116.57 119.32 1a9x h LYS 3646Ca -0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1a9x h LYS 3646Cb 0.51 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1a9x h LYS 3646CO -0.00 0.59 0.13 0.00 -0.57 0.00 0.00 179.45 179.60 1a9x h ALA 3647N 1.48 0.37 0.00 3.86 0.00 -0.55 -1.35 119.26 123.07 1a9x h ALA 3647Ca 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1a9x h ALA 3647Cb 0.37 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1a9x h ALA 3647CO -0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 178.87 1a9x h ARG 3648N 0.33 0.00 0.00 0.00 3.08 0.98 -3.01 114.38 115.77 1a9x h ARG 3648Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a9x h ARG 3648Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1a9x h ARG 3648CO -0.01 0.08 -0.38 0.00 -1.07 0.00 0.00 179.97 178.59 1a9x h ALA 3649N 1.92 0.80 -2.25 0.04 0.00 0.11 -3.46 119.26 116.42 1a9x h ALA 3649Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1a9x h ALA 3649Cb 0.66 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.49 1a9x h ALA 3649CO 0.01 0.00 0.91 0.34 0.00 0.00 0.00 179.25 180.51 1a9x n PHE 3650N -2.75 2.34 -0.08 0.00 7.35 -0.57 -4.88 117.46 118.87 1a9x n PHE 3650Ca 0.03 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1a9x n PHE 3650Cb 0.51 -2.60 0.29 0.00 0.35 0.00 0.00 39.48 38.03 1a9x n PHE 3650CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1a9x h PRO 3651N 7.06 0.71 0.00 -7.13 0.14 -1.90 -3.49 132.00 127.38 1a9x h PRO 3651Ca -0.46 -0.10 0.00 0.00 0.14 0.00 0.00 66.00 65.58 1a9x h PRO 3651Cb 1.25 -0.13 0.00 0.00 0.14 0.00 0.00 31.00 32.26 1a9x h PRO 3651CO 0.91 0.58 0.00 0.41 0.14 0.00 0.00 178.00 180.04 1a9x n GLY 3652N -1.13 2.20 0.14 1.56 0.00 -1.26 -4.81 105.19 101.89 1a9x n GLY 3652Ca 0.04 -1.76 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 1a9x n GLY 3652CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a9x h LEU 3653N 0.00 0.00 -9.30 0.99 4.07 -1.94 -3.41 115.31 105.71 1a9x h LEU 3653Ca 0.00 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.38 1a9x h LEU 3653Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 1a9x h LEU 3653CO 0.00 0.61 1.18 -3.20 -1.08 0.00 0.00 178.44 175.94 1a9x n ASN 3654N -3.60 3.78 0.00 -0.43 4.05 -1.26 0.01 115.26 117.81 1a9x n ASN 3654Ca -0.00 0.92 0.00 0.00 0.45 0.00 0.00 54.58 55.95 1a9x n ASN 3654Cb 0.65 -1.45 0.00 0.00 1.23 0.00 0.00 39.78 40.22 1a9x n ASN 3654CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1a9x n GLY 3655N 4.52 0.67 3.47 8.20 0.00 -1.26 -5.02 105.19 115.77 1a9x n GLY 3655Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1a9x n GLY 3655CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a9x s MET 3656N -0.05 3.25 -0.31 1.61 0.00 0.10 -4.86 119.30 119.03 1a9x s MET 3656Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 55.69 54.61 1a9x s MET 3656Cb 0.00 -3.75 0.01 0.00 0.00 0.00 0.00 34.83 31.09 1a9x s MET 3656CO 0.00 -0.53 1.01 0.34 0.00 0.00 0.00 175.02 175.84 1a9x s ASP 3657N 1.65 6.88 -0.00 1.11 -1.08 -1.26 -1.55 116.67 122.42 1a9x s ASP 3657Ca 0.05 0.98 0.09 0.00 -0.52 0.00 0.00 52.55 53.15 1a9x s ASP 3657Cb -0.18 -2.51 -0.11 0.00 -1.46 0.00 0.00 42.92 38.66 1a9x s ASP 3657CO 0.09 -0.81 0.35 0.18 0.52 0.00 0.00 175.17 175.49 1a9x n LEU 3658N 6.70 0.34 -0.13 -1.34 4.77 -1.26 -4.53 117.00 121.54 1a9x n LEU 3658Ca 0.10 -0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 55.66 1a9x n LEU 3658Cb 0.47 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1a9x n LEU 3658CO 0.57 0.08 0.92 0.00 -1.33 0.00 0.00 177.39 177.63 1a9x h ALA 3659N 1.21 0.47 0.00 -1.18 0.00 -1.80 -0.21 119.26 117.75 1a9x h ALA 3659Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a9x h ALA 3659Cb 0.27 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a9x h ALA 3659CO 0.00 -0.30 -0.12 1.57 0.00 0.00 0.00 179.25 180.40 1a9x h LYS 3660N 0.24 0.00 0.00 0.00 2.10 -1.89 -0.95 116.57 116.06 1a9x h LYS 3660Ca 0.20 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.77 1a9x h LYS 3660Cb 0.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1a9x h LYS 3660CO -0.25 0.12 -0.40 0.93 -2.00 0.00 0.00 179.45 177.84 1a9x h GLU 3661N 0.00 0.00 0.00 0.07 4.39 -1.30 -3.31 114.58 114.43 1a9x h GLU 3661Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a9x h GLU 3661Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1a9x h GLU 3661CO 0.02 0.40 -1.00 1.33 -1.16 0.00 0.00 179.01 178.60 1a9x n VAL 3662N -3.36 0.00 -0.93 3.13 0.24 -0.85 -5.03 118.33 111.53 1a9x n VAL 3662Ca 0.01 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.76 1a9x n VAL 3662Cb 0.60 0.74 0.11 0.00 -1.47 0.00 0.00 33.84 33.82 1a9x n VAL 3662CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1a9x n THR 3663N -1.55 0.58 -1.84 3.34 5.66 -0.42 -4.70 114.28 115.34 1a9x n THR 3663Ca 0.01 -0.24 -0.32 0.00 -3.05 0.00 0.00 64.05 60.45 1a9x n THR 3663Cb 0.28 -0.70 0.03 0.00 -1.55 0.00 0.00 70.33 68.39 1a9x n THR 3663CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1a9x s THR 3664N -2.27 3.78 -0.05 1.09 -1.32 -1.26 -4.96 115.64 110.65 1a9x s THR 3664Ca 0.60 0.75 -0.02 0.00 -1.21 0.00 0.00 61.69 61.82 1a9x s THR 3664Cb -0.25 -3.33 -0.26 0.00 -1.51 0.00 0.00 72.50 67.15 1a9x s THR 3664CO 0.64 -0.58 0.65 0.00 -2.21 0.00 0.00 174.62 173.12 1a9x h ALA 3665N -0.00 0.42 -3.99 11.08 0.00 -1.98 -3.40 119.26 121.38 1a9x h ALA 3665Ca -0.46 -1.27 -0.39 0.00 0.00 0.00 0.00 54.91 52.79 1a9x h ALA 3665Cb 1.22 0.47 -0.29 0.00 0.00 0.00 0.00 17.79 19.19 1a9x h ALA 3665CO 0.56 1.28 -0.78 -1.83 0.00 0.00 0.00 179.25 178.49 1a9x s GLU 3666N -2.59 0.74 0.72 0.00 -1.05 -1.26 -4.88 118.70 110.38 1a9x s GLU 3666Ca -0.13 -0.31 -0.16 0.00 -0.15 0.00 0.00 54.97 54.23 1a9x s GLU 3666Cb 0.07 -0.71 -0.02 0.00 -0.44 0.00 0.00 34.13 33.03 1a9x s GLU 3666CO 0.82 0.17 0.75 0.00 0.95 0.00 0.00 175.26 177.96 1a9x n ALA 3667N 2.93 -0.86 -3.69 -0.84 0.00 -1.26 -4.80 120.51 112.00 1a9x n ALA 3667Ca -0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.00 1a9x n ALA 3667Cb 0.57 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1a9x n ALA 3667CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1a9x s TYR 3668N -1.87 -0.32 0.01 0.00 1.13 0.15 -4.97 117.35 111.48 1a9x s TYR 3668Ca 0.69 -0.04 -0.14 0.00 -1.41 0.00 0.00 57.07 56.17 1a9x s TYR 3668Cb -0.35 0.65 -0.06 0.00 -1.10 0.00 0.00 41.96 41.11 1a9x s TYR 3668CO 0.54 -1.08 0.42 0.45 -2.51 0.00 0.00 175.55 173.36 1a9x s SER 3669N -2.85 6.81 -0.10 -0.18 0.15 -1.26 0.02 113.70 116.28 1a9x s SER 3669Ca 0.07 0.97 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 1a9x s SER 3669Cb -0.04 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1a9x s SER 3669CO -0.01 0.31 0.03 0.86 1.20 0.00 0.00 173.24 175.62 1a9x s TRP 3670N -1.12 0.62 -0.02 3.44 -0.11 0.66 -4.93 118.94 117.49 1a9x s TRP 3670Ca 0.25 -0.28 0.13 0.00 1.22 0.00 0.00 56.10 57.42 1a9x s TRP 3670Cb -0.17 -0.80 0.22 0.00 -1.50 0.00 0.00 33.47 31.22 1a9x s TRP 3670CO 0.14 -0.39 1.09 0.25 -4.62 0.00 0.00 176.95 173.42 1a9x n THR 3671N 5.16 0.23 -3.81 5.86 -2.24 -1.26 0.65 114.28 118.86 1a9x n THR 3671Ca -0.07 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.64 1a9x n THR 3671Cb 0.49 0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 1a9x n THR 3671CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a9x s GLN 3672N -0.34 4.05 0.00 -0.78 0.74 -1.26 0.49 119.66 122.56 1a9x s GLN 3672Ca 0.18 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.30 1a9x s GLN 3672Cb 0.20 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1a9x s GLN 3672CO -0.07 0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 1a9x n GLY 3673N 3.82 0.09 3.78 2.59 0.00 -1.26 -3.88 105.19 110.32 1a9x n GLY 3673Ca -0.16 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 1a9x n GLY 3673CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a9x s SER 3674N -1.00 4.36 0.53 1.61 1.04 -1.25 -4.55 113.70 114.44 1a9x s SER 3674Ca 0.00 1.44 -0.18 0.00 0.48 0.00 0.00 55.95 57.69 1a9x s SER 3674Cb 0.00 -2.18 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 1a9x s SER 3674CO 0.00 -2.07 1.04 0.86 0.98 0.00 0.00 173.24 174.06 1a9x s TRP 3675N -3.06 3.01 0.01 5.02 -0.00 -1.26 -4.14 118.94 118.52 1a9x s TRP 3675Ca 0.61 1.54 0.00 0.00 -0.00 0.00 0.00 56.10 58.25 1a9x s TRP 3675Cb -0.15 -3.03 -0.01 0.00 -0.00 0.00 0.00 33.47 30.28 1a9x s TRP 3675CO 0.55 -0.94 -0.01 0.95 -0.00 0.00 0.00 176.95 177.51 1a9x s THR 3676N -2.22 0.05 0.28 5.86 -4.23 -0.76 -4.94 115.64 109.68 1a9x s THR 3676Ca 0.65 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1a9x s THR 3676Cb -0.16 -0.09 0.27 0.00 1.34 0.00 0.00 72.50 73.86 1a9x s THR 3676CO 0.28 -0.13 1.76 0.25 -0.54 0.00 0.00 174.62 176.25 1a9x h LEU 3677N 5.75 0.64 0.37 4.79 5.85 -1.98 1.39 115.31 132.12 1a9x h LEU 3677Ca -0.26 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1a9x h LEU 3677Cb 1.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1a9x h LEU 3677CO 0.48 0.23 -0.18 0.74 -0.34 0.00 0.00 178.44 179.38 1a9x h THR 3678N 0.68 0.18 -0.41 1.05 2.02 -2.03 -3.35 112.91 111.05 1a9x h THR 3678Ca 0.52 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1a9x h THR 3678Cb 0.79 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1a9x h THR 3678CO -0.38 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.16 1a9x n GLY 3679N 0.37 1.53 7.00 2.16 0.00 -1.13 -5.05 105.19 110.07 1a9x n GLY 3679Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1a9x n GLY 3679CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 3680N 1.44 0.79 3.72 -0.02 0.00 0.47 -4.54 105.19 107.06 1a9x n GLY 3680Ca 0.19 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1a9x n GLY 3680CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9x s LEU 3681N 0.00 4.40 0.66 0.99 1.43 -1.26 -1.82 118.68 123.07 1a9x s LEU 3681Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1a9x s LEU 3681Cb 0.00 -3.35 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1a9x s LEU 3681CO 0.00 -0.12 1.05 -2.16 0.23 0.00 0.00 176.35 175.35 1a9x s PRO 3682N 0.52 3.26 0.32 1.29 0.04 -1.26 -5.02 135.00 134.15 1a9x s PRO 3682Ca 0.44 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1a9x s PRO 3682Cb -0.20 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1a9x s PRO 3682CO 0.24 -0.83 1.23 -1.14 0.04 0.00 0.00 177.00 176.55 1a9x s GLN 3683N -5.13 4.41 0.44 4.56 0.74 -1.26 -4.76 119.66 118.67 1a9x s GLN 3683Ca 0.56 2.06 -0.25 0.00 0.05 0.00 0.00 55.36 57.79 1a9x s GLN 3683Cb -0.12 -3.07 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 1a9x s GLN 3683CO 0.54 -0.08 1.24 0.00 -0.55 0.00 0.00 175.29 176.44 1a9x n ALA 3684N 0.85 1.15 -1.62 1.58 0.00 -1.26 -4.76 120.51 116.45 1a9x n ALA 3684Ca -0.00 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 1a9x n ALA 3684Cb 0.43 -2.25 0.12 0.00 0.00 0.00 0.00 19.45 17.75 1a9x n ALA 3684CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a9x s LYS 3685N -2.28 1.53 0.31 0.00 1.02 0.18 -4.92 119.74 115.58 1a9x s LYS 3685Ca 0.63 0.33 -0.14 0.00 0.02 0.00 0.00 55.97 56.80 1a9x s LYS 3685Cb -0.50 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 34.84 1a9x s LYS 3685CO 0.56 -1.94 0.72 0.15 -0.92 0.00 0.00 175.35 173.93 1a9x s LYS 3686N -5.32 3.98 0.52 1.68 3.01 -1.26 -4.82 119.74 117.53 1a9x s LYS 3686Ca 0.63 0.63 0.20 0.00 -1.01 0.00 0.00 55.97 56.42 1a9x s LYS 3686Cb -0.14 -2.45 1.35 0.00 -1.01 0.00 0.00 37.83 35.59 1a9x s LYS 3686CO 0.53 0.17 2.12 1.49 0.51 0.00 0.00 175.35 180.17 1a9x h GLU 3687N 2.27 0.00 -0.00 1.68 4.81 -1.97 -1.31 114.58 120.06 1a9x h GLU 3687Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1a9x h GLU 3687Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1a9x h GLU 3687CO 0.66 0.06 -0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 1a9x n ASP 3688N -4.21 0.01 -0.78 1.04 5.75 -1.26 -2.92 116.55 114.18 1a9x n ASP 3688Ca -0.03 0.21 0.07 0.00 -0.01 0.00 0.00 54.79 55.03 1a9x n ASP 3688Cb 0.15 -0.40 0.20 0.00 -1.03 0.00 0.00 41.12 40.03 1a9x n ASP 3688CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1a9x n GLU 3689N -1.40 1.98 -3.71 0.11 1.02 -0.49 -4.74 120.64 113.41 1a9x n GLU 3689Ca 0.10 -1.51 -0.28 0.00 -0.02 0.00 0.00 57.16 55.45 1a9x n GLU 3689Cb 0.30 -1.33 -0.16 0.00 -0.02 0.00 0.00 31.44 30.22 1a9x n GLU 3689CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a9x s LEU 3690N -1.03 1.33 0.45 -4.62 1.43 -1.15 -4.95 118.68 110.14 1a9x s LEU 3690Ca 0.29 -1.08 0.17 0.00 -1.03 0.00 0.00 54.13 52.49 1a9x s LEU 3690Cb 0.15 -0.62 1.04 0.00 0.03 0.00 0.00 46.19 46.79 1a9x s LEU 3690CO 0.20 -0.35 1.97 1.55 0.23 0.00 0.00 176.35 179.94 1a9x h PRO 3691N 8.23 0.00 -6.24 1.29 0.13 -1.80 -3.42 132.00 130.19 1a9x h PRO 3691Ca -0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.41 1a9x h PRO 3691Cb 1.08 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.13 1a9x h PRO 3691CO 0.38 0.22 -0.61 -0.06 -0.23 0.00 0.00 178.00 177.70 1a9x s PHE 3692N -4.40 2.89 -0.24 1.56 0.08 0.11 -4.98 117.98 113.00 1a9x s PHE 3692Ca -0.03 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 56.89 1a9x s PHE 3692Cb 0.15 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 1a9x s PHE 3692CO 0.67 0.55 -0.12 -1.58 -0.10 0.00 0.00 175.22 174.65 1a9x s HIS 3693N -2.04 3.02 -0.05 0.36 2.46 -1.26 0.52 115.29 118.30 1a9x s HIS 3693Ca 0.30 -2.08 0.04 0.00 0.47 0.00 0.00 55.06 53.80 1a9x s HIS 3693Cb -0.08 -1.87 -0.02 0.00 -0.13 0.00 0.00 32.58 30.47 1a9x s HIS 3693CO 0.21 -0.84 -0.18 0.08 -2.47 0.00 0.00 174.74 171.54 1a9x s VAL 3694N 1.19 2.73 -0.25 0.89 1.01 -0.62 0.17 120.40 125.53 1a9x s VAL 3694Ca -0.05 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 1a9x s VAL 3694Cb -0.18 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1a9x s VAL 3694CO -0.07 0.58 0.13 -0.69 0.00 0.00 0.00 175.10 175.05 1a9x s VAL 3695N -0.54 4.90 -0.19 2.92 1.01 0.14 -1.31 120.40 127.33 1a9x s VAL 3695Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1a9x s VAL 3695Cb -0.11 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1a9x s VAL 3695CO 0.01 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.36 1a9x s ALA 3696N 1.47 2.77 -0.17 5.51 0.00 -0.36 0.14 121.76 131.12 1a9x s ALA 3696Ca 0.06 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 1a9x s ALA 3696Cb -0.15 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 1a9x s ALA 3696CO 0.06 -0.18 1.00 0.71 0.00 0.00 0.00 175.76 177.36 1a9x s TYR 3697N 1.05 3.42 -0.62 0.00 1.51 0.50 -1.52 117.35 121.69 1a9x s TYR 3697Ca 0.00 1.49 -0.24 0.00 -1.01 0.00 0.00 57.07 57.32 1a9x s TYR 3697Cb -0.15 -3.20 0.05 0.00 -0.11 0.00 0.00 41.96 38.55 1a9x s TYR 3697CO -0.01 -0.35 1.00 0.34 -1.11 0.00 0.00 175.55 175.42 1a9x s ASP 3698N 1.16 6.25 -0.15 2.29 2.15 0.10 -2.49 116.67 125.98 1a9x s ASP 3698Ca 0.45 -0.61 0.16 0.00 0.43 0.00 0.00 52.55 52.98 1a9x s ASP 3698Cb -0.17 -2.45 0.61 0.00 -0.30 0.00 0.00 42.92 40.62 1a9x s ASP 3698CO 0.12 -1.39 1.52 0.49 -0.17 0.00 0.00 175.17 175.74 1a9x n PHE 3699N 7.81 1.25 0.00 -5.34 3.72 -1.26 -3.20 117.46 120.44 1a9x n PHE 3699Ca -0.00 -0.72 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 1a9x n PHE 3699Cb 0.47 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1a9x n PHE 3699CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a9x n GLY 3700N 0.30 0.69 3.76 1.37 0.00 -1.22 -3.85 105.19 106.24 1a9x n GLY 3700Ca 0.22 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1a9x n GLY 3700CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 3701N -0.69 3.45 0.23 4.61 0.00 -1.23 -4.13 121.76 124.00 1a9x s ALA 3701Ca 0.00 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1a9x s ALA 3701Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1a9x s ALA 3701CO 0.00 -0.39 0.96 0.15 0.00 0.00 0.00 175.76 176.48 1a9x s LYS 3702N -1.42 4.82 0.34 0.00 1.02 -1.26 -4.87 119.74 118.38 1a9x s LYS 3702Ca 0.48 1.51 0.06 0.00 0.02 0.00 0.00 55.97 58.03 1a9x s LYS 3702Cb -0.35 -3.28 0.72 0.00 -0.52 0.00 0.00 37.83 34.39 1a9x s LYS 3702CO 0.45 0.46 1.91 0.00 -0.92 0.00 0.00 175.35 177.25 1a9x h ARG 3703N 4.30 0.78 -0.06 1.68 3.08 -1.31 -2.12 114.38 120.72 1a9x h ARG 3703Ca -0.45 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.57 1a9x h ARG 3703Cb 1.20 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1a9x h ARG 3703CO 0.68 0.51 0.06 -0.97 -1.07 0.00 0.00 179.97 179.19 1a9x h ASN 3704N 0.80 0.00 -0.38 7.04 -1.24 -1.92 -0.11 115.58 119.77 1a9x h ASN 3704Ca 0.39 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.31 1a9x h ASN 3704Cb 0.44 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1a9x h ASN 3704CO -0.16 0.00 -0.10 0.40 -1.29 0.00 0.00 177.43 176.28 1a9x h ILE 3705N 0.00 1.28 -0.30 2.57 2.04 -1.70 -1.86 117.51 119.53 1a9x h ILE 3705Ca 0.03 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1a9x h ILE 3705Cb 0.15 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1a9x h ILE 3705CO -0.00 0.40 0.01 -0.07 0.00 0.00 0.00 178.15 178.48 1a9x h LEU 3706N 0.55 0.52 -0.99 1.44 3.38 -1.13 -2.63 115.31 116.45 1a9x h LEU 3706Ca 0.10 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1a9x h LEU 3706Cb 0.62 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1a9x h LEU 3706CO 0.04 0.70 0.23 0.03 0.09 0.00 0.00 178.44 179.53 1a9x h ARG 3707N 0.33 0.96 -0.63 1.13 3.08 -1.08 -2.02 114.38 116.16 1a9x h ARG 3707Ca 0.09 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1a9x h ARG 3707Cb 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1a9x h ARG 3707CO 0.01 0.80 0.22 0.52 -1.07 0.00 0.00 179.97 180.45 1a9x h MET 3708N 0.94 0.93 -0.46 0.04 2.86 -1.22 0.79 114.93 118.81 1a9x h MET 3708Ca 0.22 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1a9x h MET 3708Cb 0.22 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1a9x h MET 3708CO -0.01 0.79 0.01 -0.07 1.06 0.00 0.00 176.91 178.68 1a9x h LEU 3709N 0.91 0.79 -0.67 1.22 3.38 -1.16 -2.44 115.31 117.34 1a9x h LEU 3709Ca 0.21 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1a9x h LEU 3709Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1a9x h LEU 3709CO -0.01 0.90 0.35 0.58 0.09 0.00 0.00 178.44 180.35 1a9x h VAL 3710N 0.66 1.21 -0.10 1.22 2.07 -0.89 -0.84 116.25 119.58 1a9x h VAL 3710Ca 0.13 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1a9x h VAL 3710Cb 0.49 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1a9x h VAL 3710CO 0.02 0.24 0.08 0.44 0.02 0.00 0.00 177.57 178.37 1a9x h ASP 3711N 0.92 0.00 -0.36 0.57 3.32 -0.57 -0.35 116.42 119.94 1a9x h ASP 3711Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1a9x h ASP 3711Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1a9x h ASP 3711CO -0.04 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.02 1a9x n ARG 3712N -4.30 1.87 0.00 3.56 1.74 -0.38 -4.92 116.66 114.23 1a9x n ARG 3712Ca -0.00 -1.35 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1a9x n ARG 3712Cb 0.20 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1a9x n ARG 3712CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9x n GLY 3713N 1.11 0.43 3.75 -0.13 0.00 -0.14 -4.97 105.19 105.25 1a9x n GLY 3713Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1a9x n GLY 3713CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ARG 3715N 0.09 3.77 0.05 0.00 1.70 0.18 -3.91 118.95 120.84 1a9x s ARG 3715Ca 0.27 0.08 0.04 0.00 -0.47 0.00 0.00 55.73 55.65 1a9x s ARG 3715Cb -0.16 -3.25 -0.04 0.00 -0.57 0.00 0.00 34.95 30.93 1a9x s ARG 3715CO 0.13 0.64 -0.04 -0.51 -1.08 0.00 0.00 175.30 174.44 1a9x s LEU 3716N -0.73 3.30 -0.32 -1.89 1.43 0.21 -1.58 118.68 119.10 1a9x s LEU 3716Ca 0.18 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1a9x s LEU 3716Cb -0.14 -1.98 0.08 0.00 0.03 0.00 0.00 46.19 44.18 1a9x s LEU 3716CO 0.07 0.22 0.01 -0.89 0.23 0.00 0.00 176.35 175.99 1a9x s THR 3717N -1.16 2.51 -0.17 5.49 2.01 -0.43 -0.24 115.64 123.65 1a9x s THR 3717Ca 0.21 -1.91 -0.20 0.00 0.31 0.00 0.00 61.69 60.10 1a9x s THR 3717Cb -0.11 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1a9x s THR 3717CO 0.13 -0.34 0.59 -0.63 -0.69 0.00 0.00 174.62 173.68 1a9x s ILE 3718N 1.06 5.06 0.13 1.82 -1.09 0.10 -1.22 121.20 127.06 1a9x s ILE 3718Ca 0.01 1.13 0.09 0.00 -2.23 0.00 0.00 60.65 59.65 1a9x s ILE 3718Cb -0.20 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1a9x s ILE 3718CO -0.05 0.17 -0.15 0.68 -1.23 0.00 0.00 174.94 174.35 1a9x s VAL 3719N 1.57 2.99 0.57 2.92 -7.23 -0.58 -0.67 120.40 119.98 1a9x s VAL 3719Ca 0.28 -1.50 -0.21 0.00 -1.81 0.00 0.00 61.98 58.75 1a9x s VAL 3719Cb -0.16 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1a9x s VAL 3719CO 0.11 0.06 1.25 -2.65 -0.31 0.00 0.00 175.10 173.56 1a9x n PRO 3720N 0.63 1.42 -0.36 4.82 -0.02 -1.26 -0.72 135.00 139.51 1a9x n PRO 3720Ca -0.14 0.53 0.27 0.00 -2.02 0.00 0.00 63.50 62.14 1a9x n PRO 3720Cb 0.53 -2.46 0.55 0.00 -0.02 0.00 0.00 33.50 32.10 1a9x n PRO 3720CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a9x h ALA 3721N 1.10 2.37 -0.29 3.55 0.00 -1.79 -1.28 119.26 122.92 1a9x h ALA 3721Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a9x h ALA 3721Cb 1.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1a9x h ALA 3721CO 0.55 -0.86 0.00 1.04 0.00 0.00 0.00 179.25 179.98 1a9x n GLN 3722N -4.67 1.94 -1.68 0.00 3.00 -1.26 -4.60 117.38 110.11 1a9x n GLN 3722Ca 0.29 -1.43 -0.45 0.00 -0.01 0.00 0.00 57.00 55.40 1a9x n GLN 3722Cb 1.05 -1.39 -0.03 0.00 0.00 0.00 0.00 30.24 29.87 1a9x n GLN 3722CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1a9x n THR 3723N 0.65 0.54 -1.57 5.09 -1.04 -0.48 -4.94 114.28 112.53 1a9x n THR 3723Ca 0.16 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 1a9x n THR 3723Cb 0.38 -1.61 0.05 0.00 -1.82 0.00 0.00 70.33 67.33 1a9x n THR 3723CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1a9x s SER 3724N 0.62 5.37 0.19 8.00 1.04 -1.26 -4.91 113.70 122.74 1a9x s SER 3724Ca 0.72 1.63 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 1a9x s SER 3724Cb -0.63 -2.50 0.12 0.00 0.10 0.00 0.00 66.02 63.12 1a9x s SER 3724CO 0.44 -1.45 1.81 0.00 0.98 0.00 0.00 173.24 175.02 1a9x h ALA 3725N -0.71 0.89 -0.34 5.32 0.00 -1.92 -1.83 119.26 120.67 1a9x h ALA 3725Ca -0.44 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1a9x h ALA 3725Cb 1.21 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1a9x h ALA 3725CO 0.57 0.40 0.12 0.93 0.00 0.00 0.00 179.25 181.27 1a9x h GLU 3726N 0.95 0.26 -0.23 0.00 3.07 -1.94 0.13 114.58 116.82 1a9x h GLU 3726Ca 0.25 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1a9x h GLU 3726Cb 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1a9x h GLU 3726CO -0.04 0.17 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.28 1a9x h ASP 3727N 0.27 0.32 0.46 1.42 3.32 -1.87 -2.26 116.42 118.08 1a9x h ASP 3727Ca 0.15 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1a9x h ASP 3727Cb 0.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1a9x h ASP 3727CO -0.15 0.39 -0.22 0.58 -1.72 0.00 0.00 179.24 178.12 1a9x h VAL 3728N 0.34 0.00 -1.26 -1.35 2.07 -0.33 -3.13 116.25 112.59 1a9x h VAL 3728Ca 0.08 -0.31 0.37 0.00 0.82 0.00 0.00 66.70 67.65 1a9x h VAL 3728Cb 0.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 1a9x h VAL 3728CO 0.01 0.00 1.02 -0.07 0.02 0.00 0.00 177.57 178.55 1a9x h LEU 3729N -0.93 0.00 -1.58 2.57 3.38 -0.74 1.57 115.31 119.58 1a9x h LEU 3729Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1a9x h LEU 3729Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a9x h LEU 3729CO 0.10 0.00 -0.16 0.11 0.09 0.00 0.00 178.44 178.59 1a9x h LYS 3730N 0.00 0.00 -0.00 1.13 1.57 -1.34 -2.28 116.57 115.64 1a9x h LYS 3730Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1a9x h LYS 3730Cb 2.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.94 1a9x h LYS 3730CO -0.01 0.16 -0.03 -1.33 -0.57 0.00 0.00 179.45 177.67 1a9x n MET 3731N -3.48 0.33 -3.40 3.15 2.81 0.54 -4.95 117.12 112.12 1a9x n MET 3731Ca -0.01 -0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.65 1a9x n MET 3731Cb 0.32 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.39 1a9x n MET 3731CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1a9x n ASN 3732N -1.31 -5.74 -4.74 7.83 4.13 -0.86 -4.96 115.26 109.62 1a9x n ASN 3732Ca 0.12 -0.79 -0.37 0.00 1.68 0.00 0.00 54.58 55.22 1a9x n ASN 3732Cb 0.28 -4.68 0.06 0.00 -1.54 0.00 0.00 39.78 33.90 1a9x n ASN 3732CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1a9x s PRO 3733N -4.94 2.63 0.12 3.52 0.04 -1.26 -4.88 135.00 130.23 1a9x s PRO 3733Ca 0.41 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.60 1a9x s PRO 3733Cb -0.08 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.45 1a9x s PRO 3733CO 0.77 -1.53 1.15 -0.44 0.04 0.00 0.00 177.00 177.00 1a9x h ASP 3734N 0.62 0.00 -4.84 6.66 3.32 0.14 -3.47 116.42 118.84 1a9x h ASP 3734Ca -0.51 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.57 1a9x h ASP 3734Cb 1.33 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.74 1a9x h ASP 3734CO 0.54 0.83 0.33 -0.83 -1.72 0.00 0.00 179.24 178.38 1a9x s GLY 3735N -4.73 -0.55 -0.19 2.75 0.00 -0.95 -4.35 107.32 99.30 1a9x s GLY 3735Ca 0.00 0.77 -0.00 0.00 0.00 0.00 0.00 44.72 45.48 1a9x s GLY 3735CO 0.80 0.29 -0.16 -0.42 0.00 0.00 0.00 173.10 173.61 1a9x s ILE 3736N -3.33 2.44 -0.15 0.90 1.01 -0.10 0.27 121.20 122.25 1a9x s ILE 3736Ca 0.02 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1a9x s ILE 3736Cb -0.01 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1a9x s ILE 3736CO -0.10 0.51 -0.00 0.12 0.00 0.00 0.00 174.94 175.46 1a9x s PHE 3737N 1.32 3.11 -0.44 3.97 5.36 0.37 -1.72 117.98 129.95 1a9x s PHE 3737Ca 0.05 -0.09 -0.07 0.00 -0.96 0.00 0.00 56.93 55.86 1a9x s PHE 3737Cb -0.13 -1.95 0.11 0.00 -0.34 0.00 0.00 43.02 40.71 1a9x s PHE 3737CO -0.10 0.13 0.29 -0.51 -1.46 0.00 0.00 175.22 173.57 1a9x s LEU 3738N 0.08 5.48 1.20 6.12 1.43 -0.59 0.19 118.68 132.60 1a9x s LEU 3738Ca 0.02 -1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 51.06 1a9x s LEU 3738Cb -0.13 -1.95 0.29 0.00 0.03 0.00 0.00 46.19 44.43 1a9x s LEU 3738CO 0.02 -0.63 1.03 -0.94 0.23 0.00 0.00 176.35 176.06 1a9x s SER 3739N 2.34 0.77 0.91 2.29 1.04 -1.04 -2.02 113.70 117.99 1a9x s SER 3739Ca 0.06 1.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.55 1a9x s SER 3739Cb -0.25 -1.82 0.14 0.00 0.10 0.00 0.00 66.02 64.19 1a9x s SER 3739CO -0.02 -4.28 1.19 0.54 0.98 0.00 0.00 173.24 171.65 1a9x s ASN 3740N -2.98 3.59 0.00 7.02 4.22 -1.18 -1.45 114.94 124.16 1a9x s ASN 3740Ca 0.68 0.72 0.00 0.00 -2.14 0.00 0.00 52.86 52.12 1a9x s ASN 3740Cb -0.20 -1.12 0.00 0.00 1.28 0.00 0.00 41.25 41.21 1a9x s ASN 3740CO 0.61 -2.48 0.00 0.61 -2.04 0.00 0.00 177.10 173.81 1a9x n GLY 3741N -2.86 1.19 3.72 0.45 0.00 -1.26 -3.45 105.19 102.98 1a9x n GLY 3741Ca 0.09 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1a9x n GLY 3741CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a9x s PRO 3742N -2.00 0.59 2.97 1.61 0.04 -1.25 -4.68 135.00 132.28 1a9x s PRO 3742Ca 0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1a9x s PRO 3742Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1a9x s PRO 3742CO 0.00 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1a9x n GLY 3743N -1.53 0.88 3.76 0.56 0.00 -1.26 -3.92 105.19 103.68 1a9x n GLY 3743Ca 0.06 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1a9x n GLY 3743CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a9x s ASP 3744N -4.00 7.39 0.08 1.61 -1.08 -0.60 -4.92 116.67 115.16 1a9x s ASP 3744Ca 0.00 1.65 0.02 0.00 -0.52 0.00 0.00 52.55 53.70 1a9x s ASP 3744Cb 0.00 -2.52 -0.25 0.00 -1.46 0.00 0.00 42.92 38.70 1a9x s ASP 3744CO 0.00 0.12 1.14 1.55 0.52 0.00 0.00 175.17 178.49 1a9x h PRO 3745N 4.83 0.13 -0.76 4.34 0.13 -1.87 -3.40 132.00 135.39 1a9x h PRO 3745Ca -0.45 -0.21 0.07 0.00 -0.87 0.00 0.00 66.00 64.53 1a9x h PRO 3745Cb 1.21 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1a9x h PRO 3745CO 0.68 1.06 -0.45 0.00 -0.23 0.00 0.00 178.00 179.06 1a9x n ALA 3746N -2.47 -0.48 0.50 -0.56 0.00 -1.26 -1.43 120.51 114.81 1a9x n ALA 3746Ca -0.06 0.64 0.05 0.00 0.00 0.00 0.00 53.44 54.07 1a9x n ALA 3746Cb 0.99 -0.02 0.26 0.00 0.00 0.00 0.00 19.45 20.69 1a9x n ALA 3746CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a9x n PRO 3747N -4.75 0.15 -1.22 0.00 -0.04 -1.26 -4.10 135.00 123.78 1a9x n PRO 3747Ca 0.02 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.42 1a9x n PRO 3747Cb 0.20 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.06 1a9x n PRO 3747CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x h ASP 3749N 3.78 0.33 -0.54 0.00 2.03 -1.84 0.33 116.42 120.52 1a9x h ASP 3749Ca 0.48 0.24 -0.05 0.00 -0.73 0.00 0.00 57.03 56.97 1a9x h ASP 3749Cb 0.94 0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 39.66 1a9x h ASP 3749CO 0.90 -0.36 0.16 0.10 -1.03 0.00 0.00 179.24 179.01 1a9x h TYR 3750N 0.08 0.93 0.06 4.15 -0.00 -1.95 -1.61 116.97 118.62 1a9x h TYR 3750Ca 0.81 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.73 59.45 1a9x h TYR 3750Cb 2.07 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 38.53 1a9x h TYR 3750CO -0.03 0.76 -0.03 0.00 -0.00 0.00 0.00 178.16 178.86 1a9x h ALA 3751N 1.30 -0.08 -0.99 0.10 0.00 -0.61 -1.83 119.26 117.16 1a9x h ALA 3751Ca 0.19 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.05 1a9x h ALA 3751Cb 0.29 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1a9x h ALA 3751CO -0.00 -0.34 0.62 0.82 0.00 0.00 0.00 179.25 180.34 1a9x h ILE 3752N -0.48 0.83 0.02 0.00 2.04 -1.24 -0.79 117.51 117.89 1a9x h ILE 3752Ca -0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1a9x h ILE 3752Cb 0.43 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1a9x h ILE 3752CO 0.01 0.16 -0.01 0.74 0.00 0.00 0.00 178.15 179.05 1a9x h THR 3753N 0.87 1.20 -0.78 -0.27 2.02 -1.24 -2.58 112.91 112.12 1a9x h THR 3753Ca 0.52 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1a9x h THR 3753Cb 0.67 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 1a9x h THR 3753CO -0.29 0.17 0.49 0.00 0.37 0.00 0.00 175.52 176.26 1a9x h ALA 3754N 0.68 1.03 -0.71 6.16 0.00 -0.52 -2.67 119.26 123.21 1a9x h ALA 3754Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1a9x h ALA 3754Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1a9x h ALA 3754CO 0.00 0.29 0.19 0.82 0.00 0.00 0.00 179.25 180.56 1a9x h ILE 3755N 0.95 1.26 -0.69 0.00 2.04 -1.14 -1.05 117.51 118.88 1a9x h ILE 3755Ca 0.31 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1a9x h ILE 3755Cb 0.03 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1a9x h ILE 3755CO -0.12 0.36 0.29 1.56 0.00 0.00 0.00 178.15 180.25 1a9x h GLN 3756N 1.07 1.01 0.03 2.37 4.20 -1.30 0.24 115.11 122.72 1a9x h GLN 3756Ca 0.23 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1a9x h GLN 3756Cb 0.34 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1a9x h GLN 3756CO -0.00 0.81 -0.01 0.87 -0.67 0.00 0.00 178.83 179.82 1a9x h LYS 3757N 0.99 -0.04 -0.95 1.46 6.56 -1.01 -2.01 116.57 121.58 1a9x h LYS 3757Ca 0.24 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.91 1a9x h LYS 3757Cb 0.16 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.77 1a9x h LYS 3757CO -0.02 0.04 0.61 0.74 -2.06 0.00 0.00 179.45 178.75 1a9x h PHE 3758N -0.10 1.09 0.00 -1.35 0.04 -0.19 0.26 116.94 116.69 1a9x h PHE 3758Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1a9x h PHE 3758Cb 0.09 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 37.89 1a9x h PHE 3758CO -0.06 0.54 0.00 1.28 -0.60 0.00 0.00 178.31 179.47 1a9x n LEU 3759N -4.52 0.00 0.13 1.54 4.77 0.75 -0.74 117.00 118.93 1a9x n LEU 3759Ca 0.15 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1a9x n LEU 3759Cb 0.24 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1a9x n LEU 3759CO 0.32 -0.09 0.24 -0.33 -1.33 0.00 0.00 177.39 176.20 1a9x h GLU 3760N 0.00 0.00 0.00 3.23 5.08 -0.10 -3.47 114.58 119.33 1a9x h GLU 3760Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1a9x h GLU 3760Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1a9x h GLU 3760CO 0.00 0.09 0.01 0.25 -1.00 0.00 0.00 179.01 178.35 1a9x n THR 3761N -2.87 0.00 0.07 1.13 -2.24 0.08 -5.06 114.28 105.39 1a9x n THR 3761Ca -0.00 -0.13 0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1a9x n THR 3761Cb 0.60 -1.32 0.13 0.00 -2.10 0.00 0.00 70.33 67.64 1a9x n THR 3761CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a9x n ASP 3762N -2.99 2.66 -4.75 3.42 8.00 -1.26 -4.91 116.55 116.72 1a9x n ASP 3762Ca 0.01 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.28 1a9x n ASP 3762Cb 0.05 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1a9x n ASP 3762CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a9x s ILE 3763N -1.01 3.13 0.32 0.53 1.01 -1.26 -4.84 121.20 119.07 1a9x s ILE 3763Ca 0.22 1.00 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 1a9x s ILE 3763Cb 0.12 -3.64 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 1a9x s ILE 3763CO 0.17 0.19 1.21 -2.84 0.00 0.00 0.00 174.94 173.67 1a9x s PRO 3764N -0.73 4.44 -0.11 2.79 0.02 -1.26 -4.77 135.00 135.38 1a9x s PRO 3764Ca 0.53 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1a9x s PRO 3764Cb -0.37 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.09 1a9x s PRO 3764CO 0.42 -0.04 -0.11 0.08 -0.33 0.00 0.00 177.00 177.02 1a9x s VAL 3765N -1.17 1.27 -0.10 3.83 1.01 -0.66 -0.92 120.40 123.67 1a9x s VAL 3765Ca 0.48 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1a9x s VAL 3765Cb -0.36 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1a9x s VAL 3765CO 0.47 0.40 -0.16 0.12 0.00 0.00 0.00 175.10 175.94 1a9x s PHE 3766N 1.35 1.93 -0.01 5.22 5.36 -0.70 -1.47 117.98 129.65 1a9x s PHE 3766Ca -0.00 -0.86 0.07 0.00 -0.96 0.00 0.00 56.93 55.18 1a9x s PHE 3766Cb -0.14 -1.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.15 1a9x s PHE 3766CO -0.06 -0.43 -0.23 0.20 -1.46 0.00 0.00 175.22 173.24 1a9x s GLY 3767N 0.85 1.15 0.00 13.12 0.00 -0.20 -1.54 107.32 120.71 1a9x s GLY 3767Ca -0.10 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.64 1a9x s GLY 3767CO 0.01 -0.87 0.96 1.39 0.00 0.00 0.00 173.10 174.59 1a9x n ILE 3768N 2.40 0.71 0.00 0.90 5.41 -0.86 -1.04 119.36 126.88 1a9x n ILE 3768Ca -0.16 -0.86 0.00 0.00 1.00 0.00 0.00 62.75 62.74 1a9x n ILE 3768Cb 0.52 0.67 0.00 0.00 -0.71 0.00 0.00 39.64 40.12 1a9x n ILE 3768CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1a9x n LEU 3770N -0.04 0.00 -0.05 1.39 7.94 -1.26 -3.07 117.00 121.91 1a9x n LEU 3770Ca 0.04 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 55.03 1a9x n LEU 3770Cb 0.25 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.67 1a9x n LEU 3770CO 0.03 0.00 1.18 1.23 -1.11 0.00 0.00 177.39 178.72 1a9x h GLY 3771N 0.00 0.59 1.01 -3.96 0.00 -1.36 0.24 103.07 99.59 1a9x h GLY 3771Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 1a9x h GLY 3771CO 0.00 0.14 -0.53 0.84 0.00 0.00 0.00 176.54 176.99 1a9x h HIS 3772N 0.47 0.88 -0.59 5.60 -0.00 -1.70 -1.33 115.15 118.49 1a9x h HIS 3772Ca 0.23 -0.35 -0.05 0.00 -0.00 0.00 0.00 60.37 60.20 1a9x h HIS 3772Cb 0.32 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1a9x h HIS 3772CO -0.00 1.15 0.18 1.96 -0.00 0.00 0.00 177.93 181.22 1a9x h GLN 3773N 0.37 0.91 -0.60 5.26 4.20 -1.70 0.01 115.11 123.57 1a9x h GLN 3773Ca -0.02 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 1a9x h GLN 3773Cb 1.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 1a9x h GLN 3773CO 0.11 0.82 0.17 -0.07 -0.67 0.00 0.00 178.83 179.19 1a9x h LEU 3774N 0.83 0.89 -0.68 1.46 3.38 -1.00 0.22 115.31 120.40 1a9x h LEU 3774Ca 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1a9x h LEU 3774Cb 0.29 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1a9x h LEU 3774CO -0.01 0.87 0.23 0.25 0.09 0.00 0.00 178.44 179.88 1a9x h LEU 3775N 0.85 0.98 -0.38 1.67 5.85 -0.86 -1.34 115.31 122.08 1a9x h LEU 3775Ca 0.19 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1a9x h LEU 3775Cb 0.32 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1a9x h LEU 3775CO -0.00 0.91 0.08 0.00 -0.34 0.00 0.00 178.44 179.09 1a9x h ALA 3776N 1.10 0.51 -0.84 1.25 0.00 -0.34 -2.29 119.26 118.65 1a9x h ALA 3776Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a9x h ALA 3776Cb 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1a9x h ALA 3776CO -0.01 0.20 0.54 -0.07 0.00 0.00 0.00 179.25 179.91 1a9x h LEU 3777N 0.48 0.91 -1.91 0.00 3.38 -0.35 0.67 115.31 118.48 1a9x h LEU 3777Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a9x h LEU 3777Cb 0.33 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a9x h LEU 3777CO 0.00 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1a9x h ALA 3778N 1.34 1.00 -0.05 1.53 0.00 -1.07 -1.86 119.26 120.14 1a9x h ALA 3778Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1a9x h ALA 3778Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a9x h ALA 3778CO -0.11 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.57 1a9x n SER 3779N -2.96 2.86 0.00 0.00 7.64 -0.45 -4.72 113.62 115.99 1a9x n SER 3779Ca -0.01 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1a9x n SER 3779Cb 0.20 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1a9x n SER 3779CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a9x n GLY 3780N 1.34 0.79 3.98 0.23 0.00 -0.70 -4.70 105.19 106.13 1a9x n GLY 3780Ca 0.15 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1a9x n GLY 3780CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9x s ALA 3781N -2.00 3.51 0.07 4.61 0.00 0.10 -4.64 121.76 123.40 1a9x s ALA 3781Ca 0.00 -1.52 0.09 0.00 0.00 0.00 0.00 51.96 50.53 1a9x s ALA 3781Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 1a9x s ALA 3781CO 0.00 -1.44 -0.23 0.15 0.00 0.00 0.00 175.76 174.24 1a9x s LYS 3782N -5.18 1.45 0.15 0.00 1.02 -1.26 -4.32 119.74 111.60 1a9x s LYS 3782Ca 0.65 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 55.60 1a9x s LYS 3782Cb -0.07 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1a9x s LYS 3782CO 0.44 0.42 0.14 0.95 -0.92 0.00 0.00 175.35 176.38 1a9x s THR 3783N -0.90 4.57 0.18 2.17 -4.23 -1.26 -0.06 115.64 116.11 1a9x s THR 3783Ca 0.09 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1a9x s THR 3783Cb -0.09 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1a9x s THR 3783CO 0.03 -0.06 -0.06 0.68 -0.54 0.00 0.00 174.62 174.67 1a9x s VAL 3784N -1.68 1.07 -0.21 2.29 -7.23 0.30 -4.85 120.40 110.08 1a9x s VAL 3784Ca 0.31 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.33 1a9x s VAL 3784Cb -0.11 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 1a9x s VAL 3784CO 0.24 -0.58 0.19 -0.75 -0.31 0.00 0.00 175.10 173.88 1a9x s LYS 3785N -3.80 4.16 0.63 4.82 2.20 -1.26 -0.71 119.74 125.78 1a9x s LYS 3785Ca 0.21 -0.15 -0.14 0.00 -0.36 0.00 0.00 55.97 55.53 1a9x s LYS 3785Cb 0.04 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1a9x s LYS 3785CO 0.03 0.19 1.06 -1.64 -0.36 0.00 0.00 175.35 174.63 1a9x s MET 3786N 0.66 3.19 0.20 4.03 -1.94 0.29 -4.93 119.30 120.79 1a9x s MET 3786Ca 0.10 1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 55.09 1a9x s MET 3786Cb -0.12 -2.02 0.23 0.00 2.01 0.00 0.00 34.83 34.92 1a9x s MET 3786CO 0.02 -0.91 1.75 -0.22 -0.01 0.00 0.00 175.02 175.65 1a9x h LYS 3787N 0.04 0.40 0.00 2.03 3.64 -1.98 -3.38 116.57 117.32 1a9x h LYS 3787Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1a9x h LYS 3787Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1a9x h LYS 3787CO 0.57 0.27 0.00 1.97 -2.27 0.00 0.00 179.45 179.99 1a9x n PHE 3788N -4.97 0.00 -1.97 1.91 1.16 -1.26 -1.37 117.46 110.95 1a9x n PHE 3788Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 1a9x n PHE 3788Cb 0.23 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 1a9x n PHE 3788CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1a9x n GLY 3789N 0.00 -2.20 3.07 4.97 0.00 -1.26 -4.85 105.19 104.91 1a9x n GLY 3789Ca 0.00 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1a9x n GLY 3789CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a9x s HIS 3790N -0.50 2.56 -0.33 1.61 3.76 -0.24 -5.00 115.29 117.14 1a9x s HIS 3790Ca 0.00 -1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 53.37 1a9x s HIS 3790Cb 0.00 -1.78 0.13 0.00 1.11 0.00 0.00 32.58 32.04 1a9x s HIS 3790CO 0.00 -0.76 0.22 -1.01 -0.85 0.00 0.00 174.74 172.34 1a9x s HIS 3791N 1.36 0.37 -0.06 1.40 3.76 -1.25 -0.77 115.29 120.10 1a9x s HIS 3791Ca 0.03 -1.19 -0.24 0.00 -0.15 0.00 0.00 55.06 53.51 1a9x s HIS 3791Cb -0.14 -0.80 0.08 0.00 1.11 0.00 0.00 32.58 32.83 1a9x s HIS 3791CO -0.11 -0.86 1.07 0.41 -0.85 0.00 0.00 174.74 174.40 1a9x n GLY 3792N 4.51 0.18 0.73 -2.22 0.00 -0.92 -1.35 105.19 106.12 1a9x n GLY 3792Ca 0.06 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.16 1a9x n GLY 3792CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a9x n GLY 3793N -0.77 3.53 1.12 -0.02 0.00 -1.26 -0.32 105.19 107.47 1a9x n GLY 3793Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.09 1a9x n GLY 3793CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a9x n ASN 3794N -0.64 1.09 -4.56 1.61 6.94 -1.14 -4.44 115.26 114.14 1a9x n ASN 3794Ca 0.13 -2.47 -0.43 0.00 -0.02 0.00 0.00 54.58 51.79 1a9x n ASN 3794Cb 0.80 -0.34 -0.05 0.00 -2.36 0.00 0.00 39.78 37.83 1a9x n ASN 3794CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1a9x s HIS 3795N -0.84 2.98 -0.11 -2.53 2.46 -0.70 -4.75 115.29 111.80 1a9x s HIS 3795Ca 0.31 0.29 -0.29 0.00 0.47 0.00 0.00 55.06 55.84 1a9x s HIS 3795Cb 0.33 -3.75 -0.04 0.00 -0.13 0.00 0.00 32.58 28.99 1a9x s HIS 3795CO -0.12 -1.00 1.57 -1.25 -2.47 0.00 0.00 174.74 171.47 1a9x s PRO 3796N 3.44 4.11 -0.09 2.88 0.04 -1.26 0.37 135.00 144.49 1a9x s PRO 3796Ca 0.33 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.37 1a9x s PRO 3796Cb -0.11 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1a9x s PRO 3796CO 0.23 -0.92 -0.20 0.08 0.04 0.00 0.00 177.00 176.24 1a9x s VAL 3797N 4.19 1.77 -0.13 -0.36 1.01 0.12 -0.45 120.40 126.54 1a9x s VAL 3797Ca 0.69 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1a9x s VAL 3797Cb -0.29 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1a9x s VAL 3797CO 0.26 0.50 0.23 -0.75 0.00 0.00 0.00 175.10 175.34 1a9x s LYS 3798N 0.46 3.93 -0.67 2.72 2.20 0.69 -0.44 119.74 128.62 1a9x s LYS 3798Ca -0.17 0.00 -0.24 0.00 -0.36 0.00 0.00 55.97 55.21 1a9x s LYS 3798Cb -0.17 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1a9x s LYS 3798CO 0.07 0.49 1.03 0.34 -0.36 0.00 0.00 175.35 176.93 1a9x s ASP 3799N -0.26 6.17 0.56 1.43 -1.08 -0.23 -1.24 116.67 122.02 1a9x s ASP 3799Ca 0.15 -0.85 0.24 0.00 -0.52 0.00 0.00 52.55 51.56 1a9x s ASP 3799Cb -0.13 -2.45 1.52 0.00 -1.46 0.00 0.00 42.92 40.40 1a9x s ASP 3799CO 0.04 -1.53 2.15 -0.37 0.52 0.00 0.00 175.17 175.99 1a9x h VAL 3800N 5.99 0.73 -0.13 1.11 -1.51 -1.80 0.30 116.25 120.94 1a9x h VAL 3800Ca -0.29 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.00 1a9x h VAL 3800Cb 1.07 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1a9x h VAL 3800CO 1.20 0.00 -0.69 -0.33 -1.23 0.00 0.00 177.57 176.52 1a9x h GLU 3801N 0.00 0.54 0.00 5.19 5.08 -1.90 -3.27 114.58 120.22 1a9x h GLU 3801Ca 0.05 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1a9x h GLU 3801Cb 0.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a9x h GLU 3801CO -0.00 1.04 -0.87 1.63 -1.00 0.00 0.00 179.01 179.81 1a9x n LYS 3802N -3.89 1.31 -3.39 2.33 5.02 -0.97 -5.00 118.16 113.57 1a9x n LYS 3802Ca -0.05 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.05 1a9x n LYS 3802Cb 0.69 -1.31 0.08 0.00 -0.02 0.00 0.00 35.03 34.47 1a9x n LYS 3802CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1a9x n ASN 3803N -1.45 -3.42 -4.22 4.39 5.15 0.10 -5.02 115.26 110.79 1a9x n ASN 3803Ca 0.03 -0.55 -0.19 0.00 -0.60 0.00 0.00 54.58 53.27 1a9x n ASN 3803Cb 0.28 -4.77 -0.12 0.00 -0.53 0.00 0.00 39.78 34.64 1a9x n ASN 3803CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1a9x s VAL 3804N -3.32 1.30 -0.12 3.44 -7.23 -1.17 -4.99 120.40 108.31 1a9x s VAL 3804Ca 0.19 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1a9x s VAL 3804Cb -0.08 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1a9x s VAL 3804CO 0.68 -0.31 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.44 1a9x s VAL 3805N -1.73 4.02 0.05 1.32 1.01 -1.26 -1.06 120.40 122.74 1a9x s VAL 3805Ca 0.05 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.77 1a9x s VAL 3805Cb -0.07 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1a9x s VAL 3805CO 0.03 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 1a9x s MET 3806N -0.17 2.07 -0.26 2.72 0.23 0.41 -4.93 119.30 119.37 1a9x s MET 3806Ca 0.04 -0.98 -0.20 0.00 -1.03 0.00 0.00 55.69 53.51 1a9x s MET 3806Cb -0.13 -2.20 -0.02 0.00 -1.53 0.00 0.00 34.83 30.96 1a9x s MET 3806CO 0.02 0.54 0.61 0.42 -2.03 0.00 0.00 175.02 174.58 1a9x s ILE 3807N -0.95 4.99 0.32 3.16 -1.09 -1.26 0.11 121.20 126.48 1a9x s ILE 3807Ca 0.15 1.05 0.09 0.00 -2.23 0.00 0.00 60.65 59.71 1a9x s ILE 3807Cb -0.11 -3.93 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1a9x s ILE 3807CO 0.06 0.01 -0.10 0.42 -1.23 0.00 0.00 174.94 174.10 1a9x s THR 3808N 2.49 2.12 -0.18 2.92 -4.23 0.16 -4.20 115.64 114.71 1a9x s THR 3808Ca 0.25 -2.21 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 1a9x s THR 3808Cb -0.15 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1a9x s THR 3808CO 0.09 -0.25 0.40 0.00 -0.54 0.00 0.00 174.62 174.33 1a9x s ALA 3809N -2.70 3.55 0.04 3.99 0.00 -1.26 -1.72 121.76 123.66 1a9x s ALA 3809Ca 0.31 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1a9x s ALA 3809Cb 0.02 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1a9x s ALA 3809CO 0.15 -0.20 -0.20 -0.65 0.00 0.00 0.00 175.76 174.86 1a9x s GLN 3810N 1.10 1.32 -0.46 0.00 -1.52 0.56 -1.12 119.66 119.53 1a9x s GLN 3810Ca 0.20 -0.92 0.04 0.00 -1.95 0.00 0.00 55.36 52.73 1a9x s GLN 3810Cb -0.15 -1.42 0.23 0.00 -0.22 0.00 0.00 33.01 31.45 1a9x s GLN 3810CO 0.08 0.36 0.92 -1.71 -0.25 0.00 0.00 175.29 174.69 1a9x n ASN 3811N 1.83 -2.69 -3.68 5.90 5.15 -0.87 -2.16 115.26 118.73 1a9x n ASN 3811Ca -0.17 -2.81 -0.14 0.00 -0.60 0.00 0.00 54.58 50.85 1a9x n ASN 3811Cb 0.53 1.57 -0.08 0.00 -0.53 0.00 0.00 39.78 41.27 1a9x n ASN 3811CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1a9x s HIS 3812N 0.67 -0.46 -0.40 1.20 -3.43 0.05 -5.01 115.29 107.91 1a9x s HIS 3812Ca 0.30 0.96 0.07 0.00 -0.80 0.00 0.00 55.06 55.59 1a9x s HIS 3812Cb 0.16 0.21 -0.06 0.00 -1.43 0.00 0.00 32.58 31.46 1a9x s HIS 3812CO -0.17 -0.38 0.34 0.41 -2.00 0.00 0.00 174.74 172.95 1a9x n GLY 3813N 1.93 0.23 3.54 -1.38 0.00 -1.26 -1.08 105.19 107.17 1a9x n GLY 3813Ca -0.17 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1a9x n GLY 3813CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a9x s PHE 3814N -1.57 2.60 0.18 1.61 0.40 -1.26 0.10 117.98 120.05 1a9x s PHE 3814Ca 0.03 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1a9x s PHE 3814Cb 0.05 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 1a9x s PHE 3814CO 0.27 0.45 -0.03 0.00 0.70 0.00 0.00 175.22 176.61 1a9x s ALA 3815N -1.41 1.48 -0.11 5.36 0.00 0.12 -4.85 121.76 122.34 1a9x s ALA 3815Ca 0.22 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 1a9x s ALA 3815Cb -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1a9x s ALA 3815CO 0.13 -0.23 0.44 0.08 0.00 0.00 0.00 175.76 176.18 1a9x s VAL 3816N -3.50 5.18 -0.12 0.00 1.01 -1.26 -0.54 120.40 121.17 1a9x s VAL 3816Ca 0.22 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1a9x s VAL 3816Cb 0.05 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1a9x s VAL 3816CO 0.04 0.37 1.21 -0.62 0.00 0.00 0.00 175.10 176.10 1a9x s ASP 3817N 0.39 7.01 0.10 3.32 2.15 0.92 -4.46 116.67 126.10 1a9x s ASP 3817Ca 0.24 1.72 -0.23 0.00 0.43 0.00 0.00 52.55 54.72 1a9x s ASP 3817Cb -0.15 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.82 1a9x s ASP 3817CO 0.10 -0.66 1.71 -0.08 -0.17 0.00 0.00 175.17 176.07 1a9x h GLU 3818N 7.78 -0.08 -2.11 4.34 4.81 -1.95 -3.14 114.58 124.23 1a9x h GLU 3818Ca -0.30 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1a9x h GLU 3818Cb 1.13 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1a9x h GLU 3818CO 0.93 -0.05 0.01 0.00 -0.73 0.00 0.00 179.01 179.16 1a9x n ALA 3819N -2.26 2.98 -1.19 2.92 0.00 -1.26 -0.63 120.51 121.07 1a9x n ALA 3819Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1a9x n ALA 3819Cb 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1a9x n ALA 3819CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9x n THR 3820N 1.98 0.00 -1.68 0.00 -2.24 -1.19 -5.08 114.28 106.07 1a9x n THR 3820Ca 0.05 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.37 1a9x n THR 3820Cb 0.30 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1a9x n THR 3820CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1a9x n LEU 3821N 0.00 3.64 -4.70 3.22 7.94 0.20 -4.44 117.00 122.86 1a9x n LEU 3821Ca 0.00 0.98 -0.30 0.00 -1.11 0.00 0.00 56.01 55.57 1a9x n LEU 3821Cb 0.07 -1.44 0.14 0.00 0.53 0.00 0.00 43.42 42.73 1a9x n LEU 3821CO 0.00 -0.00 0.67 -2.16 -1.11 0.00 0.00 177.39 174.79 1a9x s PRO 3822N 3.50 1.28 0.11 1.96 0.05 -1.26 -4.88 135.00 135.75 1a9x s PRO 3822Ca 0.88 1.15 0.18 0.00 0.05 0.00 0.00 61.00 63.26 1a9x s PRO 3822Cb -0.61 -1.79 0.76 0.00 0.05 0.00 0.00 34.50 32.91 1a9x s PRO 3822CO 0.46 -2.32 1.56 0.00 0.05 0.00 0.00 177.00 176.74 1a9x n ALA 3823N -3.98 1.64 1.12 8.56 0.00 -1.26 -1.83 120.51 124.77 1a9x n ALA 3823Ca 0.09 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1a9x n ALA 3823Cb 0.53 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 19.05 1a9x n ALA 3823CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1a9x n ASN 3824N -1.80 1.96 -4.25 0.00 2.04 -1.26 -4.66 115.26 107.28 1a9x n ASN 3824Ca 0.03 -1.74 -0.38 0.00 -0.44 0.00 0.00 54.58 52.06 1a9x n ASN 3824Cb 0.19 -0.11 -0.12 0.00 -2.53 0.00 0.00 39.78 37.21 1a9x n ASN 3824CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1a9x s LEU 3825N -1.63 4.48 -0.04 -4.53 1.43 -0.76 0.75 118.68 118.38 1a9x s LEU 3825Ca 0.34 -1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 1a9x s LEU 3825Cb 0.19 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1a9x s LEU 3825CO 0.28 -0.37 0.35 -0.60 0.23 0.00 0.00 176.35 176.24 1a9x s ARG 3826N 1.37 3.88 -0.04 1.70 3.52 0.33 -4.75 118.95 124.96 1a9x s ARG 3826Ca -0.00 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 55.58 1a9x s ARG 3826Cb -0.20 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1a9x s ARG 3826CO 0.02 0.64 1.39 0.08 -0.81 0.00 0.00 175.30 176.62 1a9x s VAL 3827N -0.85 3.85 -0.16 7.11 1.01 -1.26 -0.14 120.40 129.95 1a9x s VAL 3827Ca 0.22 1.17 0.08 0.00 0.00 0.00 0.00 61.98 63.44 1a9x s VAL 3827Cb -0.15 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 1a9x s VAL 3827CO 0.11 -0.04 0.24 0.35 0.00 0.00 0.00 175.10 175.76 1a9x n THR 3828N 4.91 0.00 -3.64 3.92 -2.24 0.04 -4.88 114.28 112.40 1a9x n THR 3828Ca 0.14 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 1a9x n THR 3828Cb 0.44 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1a9x n THR 3828CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1a9x s HIS 3829N -2.19 -0.46 0.05 4.78 3.76 -1.18 -2.58 115.29 117.46 1a9x s HIS 3829Ca -0.00 0.84 -0.03 0.00 -0.15 0.00 0.00 55.06 55.72 1a9x s HIS 3829Cb 0.05 0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.98 1a9x s HIS 3829CO 0.32 -0.48 0.03 0.15 -0.85 0.00 0.00 174.74 173.91 1a9x s LYS 3830N -1.04 0.62 0.24 1.40 1.02 -0.38 -0.96 119.74 120.64 1a9x s LYS 3830Ca -0.10 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 1a9x s LYS 3830Cb -0.03 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1a9x s LYS 3830CO 0.06 -0.14 0.96 0.45 -0.92 0.00 0.00 175.35 175.77 1a9x s SER 3831N -2.66 7.60 0.03 2.83 0.15 -0.36 -0.23 113.70 121.06 1a9x s SER 3831Ca 0.03 1.97 0.25 0.00 0.70 0.00 0.00 55.95 58.90 1a9x s SER 3831Cb 0.04 -2.61 0.49 0.00 -1.71 0.00 0.00 66.02 62.24 1a9x s SER 3831CO -0.09 0.11 1.41 0.18 1.20 0.00 0.00 173.24 176.06 1a9x n LEU 3832N 1.54 0.52 0.12 3.45 4.32 0.40 -1.04 117.00 126.31 1a9x n LEU 3832Ca -0.02 0.08 -0.24 0.00 -0.02 0.00 0.00 56.01 55.82 1a9x n LEU 3832Cb 0.47 -0.24 -0.15 0.00 -1.62 0.00 0.00 43.42 41.87 1a9x n LEU 3832CO 0.50 0.07 -0.36 -0.26 -1.22 0.00 0.00 177.39 176.13 1a9x h PHE 3833N 0.00 0.86 0.00 -1.77 0.04 -1.92 -3.43 116.94 110.72 1a9x h PHE 3833Ca 0.00 -0.63 0.00 0.00 2.80 0.00 0.00 57.97 60.14 1a9x h PHE 3833Cb 0.56 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1a9x h PHE 3833CO 0.00 1.60 0.00 -0.40 -0.60 0.00 0.00 178.31 178.91 1a9x n ASP 3834N -3.66 0.07 0.00 2.17 5.68 -1.25 -5.03 116.55 114.54 1a9x n ASP 3834Ca -0.20 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1a9x n ASP 3834Cb 1.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.07 1a9x n ASP 3834CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9x n GLY 3835N -0.00 0.82 3.79 6.12 0.00 -0.21 -5.01 105.19 110.70 1a9x n GLY 3835Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1a9x n GLY 3835CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9x s THR 3836N -3.20 3.49 0.15 2.61 -4.23 -1.26 -4.66 115.64 108.54 1a9x s THR 3836Ca 0.00 0.74 -0.31 0.00 -1.18 0.00 0.00 61.69 60.94 1a9x s THR 3836Cb 0.00 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.49 1a9x s THR 3836CO 0.00 -0.38 1.41 -0.22 -0.54 0.00 0.00 174.62 174.89 1a9x s LEU 3837N -4.49 4.38 0.00 4.79 2.96 -1.26 -1.23 118.68 123.83 1a9x s LEU 3837Ca 0.66 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 57.00 1a9x s LEU 3837Cb -0.19 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1a9x s LEU 3837CO 0.36 -0.67 0.00 0.00 -1.32 0.00 0.00 176.35 174.73 1a9x n GLN 3838N 3.57 2.66 -3.59 1.98 1.13 -0.14 -4.70 117.38 118.28 1a9x n GLN 3838Ca 0.10 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 55.00 1a9x n GLN 3838Cb 0.41 -0.78 -0.07 0.00 0.11 0.00 0.00 30.24 29.91 1a9x n GLN 3838CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1a9x s GLY 3839N -1.52 -0.50 0.06 1.08 0.00 -0.83 0.03 107.32 105.64 1a9x s GLY 3839Ca 0.00 1.35 -0.04 0.00 0.00 0.00 0.00 44.72 46.03 1a9x s GLY 3839CO 0.00 1.04 0.05 -0.26 0.00 0.00 0.00 173.10 173.93 1a9x s ILE 3840N -0.76 0.18 -0.10 0.90 -4.36 -0.68 -0.78 121.20 115.61 1a9x s ILE 3840Ca -0.08 -1.50 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1a9x s ILE 3840Cb -0.02 -1.34 0.05 0.00 1.25 0.00 0.00 42.46 42.40 1a9x s ILE 3840CO 0.07 -0.83 0.21 -2.28 0.24 0.00 0.00 174.94 172.35 1a9x s HIS 3841N -3.64 -0.28 0.00 1.37 2.46 0.80 -1.61 115.29 114.39 1a9x s HIS 3841Ca 0.04 0.71 -0.30 0.00 0.47 0.00 0.00 55.06 55.98 1a9x s HIS 3841Cb 0.05 -0.03 -0.06 0.00 -0.13 0.00 0.00 32.58 32.42 1a9x s HIS 3841CO -0.09 -0.24 1.44 1.03 -2.47 0.00 0.00 174.74 174.41 1a9x s ARG 3842N 1.48 4.27 0.23 2.88 1.81 0.22 0.12 118.95 129.96 1a9x s ARG 3842Ca -0.07 2.01 0.25 0.00 -1.72 0.00 0.00 55.73 56.21 1a9x s ARG 3842Cb -0.11 -3.59 0.88 0.00 -0.45 0.00 0.00 34.95 31.68 1a9x s ARG 3842CO -0.08 -0.61 1.75 0.25 -0.68 0.00 0.00 175.30 175.94 1a9x n THR 3843N 4.71 0.67 0.10 0.02 -2.24 0.23 -3.54 114.28 114.24 1a9x n THR 3843Ca 0.14 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1a9x n THR 3843Cb 0.43 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.87 1a9x n THR 3843CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a9x n ASP 3844N -2.24 1.22 -3.86 3.42 5.75 -1.26 -5.03 116.55 114.54 1a9x n ASP 3844Ca 0.04 -1.11 -0.10 0.00 -0.01 0.00 0.00 54.79 53.61 1a9x n ASP 3844Cb 0.35 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.36 1a9x n ASP 3844CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a9x s LYS 3845N -0.21 0.69 -0.61 0.11 -0.14 -1.23 -5.05 119.74 113.28 1a9x s LYS 3845Ca 0.03 -0.68 -0.05 0.00 -1.36 0.00 0.00 55.97 53.91 1a9x s LYS 3845Cb 0.02 0.28 -0.10 0.00 -1.68 0.00 0.00 37.83 36.35 1a9x s LYS 3845CO 0.03 -0.20 2.30 -0.35 -0.76 0.00 0.00 175.35 176.38 1a9x n PRO 3846N 0.64 1.88 -4.23 -1.68 -0.04 -1.26 -4.23 135.00 126.09 1a9x n PRO 3846Ca -0.19 -1.19 -0.20 0.00 -0.04 0.00 0.00 63.50 61.89 1a9x n PRO 3846Cb 0.59 -2.23 -0.16 0.00 -0.04 0.00 0.00 33.50 31.67 1a9x n PRO 3846CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9x s ALA 3847N 2.67 0.69 0.16 0.55 0.00 -1.26 -1.65 121.76 122.91 1a9x s ALA 3847Ca 0.43 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 1a9x s ALA 3847Cb 0.15 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1a9x s ALA 3847CO -0.02 0.04 0.48 -0.59 0.00 0.00 0.00 175.76 175.67 1a9x s PHE 3848N 0.62 -0.22 0.16 0.00 -0.71 -0.54 -0.61 117.98 116.68 1a9x s PHE 3848Ca -0.09 -0.09 -0.21 0.00 -1.04 0.00 0.00 56.93 55.50 1a9x s PHE 3848Cb -0.12 0.35 0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1a9x s PHE 3848CO 0.00 -0.80 0.56 -1.54 -1.34 0.00 0.00 175.22 172.10 1a9x s SER 3849N -2.82 -0.47 -0.05 1.98 1.04 -0.64 -1.03 113.70 111.72 1a9x s SER 3849Ca 0.05 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1a9x s SER 3849Cb 0.00 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.71 1a9x s SER 3849CO -0.09 -0.98 -0.12 0.12 0.98 0.00 0.00 173.24 173.16 1a9x s PHE 3850N -3.78 1.31 0.20 5.02 5.36 -0.21 -1.68 117.98 124.20 1a9x s PHE 3850Ca 0.03 -0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 1a9x s PHE 3850Cb -0.01 -0.94 0.14 0.00 -0.34 0.00 0.00 43.02 41.88 1a9x s PHE 3850CO -0.11 -0.19 1.61 0.37 -1.46 0.00 0.00 175.22 175.44 1a9x h GLN 3851N 6.62 0.82 0.00 10.12 5.75 -0.71 -3.38 115.11 134.33 1a9x h GLN 3851Ca -0.33 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 1a9x h GLN 3851Cb 1.18 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1a9x h GLN 3851CO 0.48 0.97 0.00 0.41 -2.65 0.00 0.00 178.83 178.04 1a9x n GLY 3852N -0.19 -0.54 3.01 2.39 0.00 -1.26 -4.79 105.19 103.80 1a9x n GLY 3852Ca -0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 1a9x n GLY 3852CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a9x s ASN 3853N -1.00 4.68 0.54 1.61 -0.87 -0.27 -4.93 114.94 114.69 1a9x s ASN 3853Ca 0.00 -2.73 0.20 0.00 -1.57 0.00 0.00 52.86 48.76 1a9x s ASN 3853Cb 0.00 -1.70 1.40 0.00 -0.02 0.00 0.00 41.25 40.94 1a9x s ASN 3853CO 0.00 -0.32 2.15 -0.65 -2.57 0.00 0.00 177.10 175.72 1a9x h PRO 3854N 6.96 0.00 0.00 -0.60 0.11 -1.85 -0.09 132.00 136.53 1a9x h PRO 3854Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1a9x h PRO 3854Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1a9x h PRO 3854CO 0.66 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1a9x n GLU 3855N -4.36 0.59 0.00 1.05 0.00 -1.26 -3.57 120.64 113.09 1a9x n GLU 3855Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a9x n GLU 3855Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1a9x n GLU 3855CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a9x n ALA 3856N -1.17 0.00 -3.35 -1.84 0.00 -0.05 -4.83 120.51 109.27 1a9x n ALA 3856Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.42 1a9x n ALA 3856Cb 0.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.63 1a9x n ALA 3856CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1a9x n SER 3857N 3.26 -6.38 -4.92 0.00 2.88 -1.26 -4.73 113.62 102.46 1a9x n SER 3857Ca 0.00 -0.24 -0.20 0.00 -1.33 0.00 0.00 58.87 57.10 1a9x n SER 3857Cb 0.00 -3.34 0.05 0.00 -0.75 0.00 0.00 64.21 60.17 1a9x n SER 3857CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a9x s PRO 3858N -3.37 2.33 0.00 -1.46 0.04 -1.26 -4.74 135.00 126.54 1a9x s PRO 3858Ca 0.15 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1a9x s PRO 3858Cb -0.02 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1a9x s PRO 3858CO 0.83 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1a9x n GLY 3859N -2.34 0.89 3.76 0.56 0.00 -1.26 -4.81 105.19 101.98 1a9x n GLY 3859Ca 0.12 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 1a9x n GLY 3859CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a9x s PRO 3860N -0.98 3.31 0.00 1.61 0.02 -1.26 -4.88 135.00 132.82 1a9x s PRO 3860Ca 0.00 2.01 0.26 0.00 0.02 0.00 0.00 61.00 63.29 1a9x s PRO 3860Cb 0.00 -2.25 1.23 0.00 0.02 0.00 0.00 34.50 33.51 1a9x s PRO 3860CO 0.00 -0.98 1.83 0.72 -0.33 0.00 0.00 177.00 178.24 1a9x n HIS 3861N -0.95 0.04 -0.16 6.54 8.25 -1.26 -4.48 115.22 123.20 1a9x n HIS 3861Ca 0.10 -0.02 0.25 0.00 -0.26 0.00 0.00 57.72 57.78 1a9x n HIS 3861Cb 0.47 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.24 1a9x n HIS 3861CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1a9x h ASP 3862N 1.26 0.10 -0.01 0.41 3.32 -1.91 -1.99 116.42 117.60 1a9x h ASP 3862Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1a9x h ASP 3862Cb 0.27 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1a9x h ASP 3862CO 0.00 0.04 -0.01 0.00 -1.72 0.00 0.00 179.24 177.55 1a9x n ALA 3863N -2.65 2.56 -0.24 3.45 0.00 -1.26 -4.41 120.51 117.96 1a9x n ALA 3863Ca 0.17 -0.51 0.22 0.00 0.00 0.00 0.00 53.44 53.32 1a9x n ALA 3863Cb 0.83 -1.07 0.56 0.00 0.00 0.00 0.00 19.45 19.77 1a9x n ALA 3863CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9x h ALA 3864N 4.43 2.37 0.00 0.00 0.00 -1.41 -0.88 119.26 123.77 1a9x h ALA 3864Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a9x h ALA 3864Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a9x h ALA 3864CO 0.00 -0.67 0.00 -2.30 0.00 0.00 0.00 179.25 176.28 1a9x n PRO 3865N -4.47 0.05 0.21 0.00 -0.02 -1.26 -0.39 135.00 129.12 1a9x n PRO 3865Ca 0.20 0.29 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 1a9x n PRO 3865Cb 0.79 -1.50 0.45 0.00 -0.02 0.00 0.00 33.50 33.22 1a9x n PRO 3865CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a9x h LEU 3866N 0.00 0.00 -0.46 2.45 4.07 -1.51 -2.14 115.31 117.72 1a9x h LEU 3866Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1a9x h LEU 3866Cb 0.06 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1a9x h LEU 3866CO 0.00 0.30 0.28 -0.26 -1.08 0.00 0.00 178.44 177.68 1a9x h PHE 3867N 0.00 0.53 0.00 1.13 0.04 -0.92 -2.64 116.94 115.09 1a9x h PHE 3867Ca -0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1a9x h PHE 3867Cb 0.63 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 1a9x h PHE 3867CO 0.00 0.32 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.52 1a9x h ASP 3868N 0.57 0.00 -0.56 2.17 3.32 -1.51 -2.34 116.42 118.08 1a9x h ASP 3868Ca 0.18 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1a9x h ASP 3868Cb -0.02 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1a9x h ASP 3868CO -0.07 0.07 -0.08 -0.74 -1.72 0.00 0.00 179.24 176.70 1a9x h HIS 3869N 0.00 1.17 -0.73 4.55 2.76 -1.43 -1.08 115.15 120.38 1a9x h HIS 3869Ca -0.00 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 57.90 1a9x h HIS 3869Cb 0.14 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.77 1a9x h HIS 3869CO 0.00 1.06 0.28 0.35 -1.30 0.00 0.00 177.93 178.32 1a9x h PHE 3870N 0.94 1.12 -0.69 5.26 3.57 -1.46 -1.23 116.94 124.45 1a9x h PHE 3870Ca 0.15 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1a9x h PHE 3870Cb 0.65 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1a9x h PHE 3870CO 0.04 0.86 0.33 0.82 -2.23 0.00 0.00 178.31 178.14 1a9x h ILE 3871N 1.05 1.22 0.42 1.41 1.08 -1.14 -1.50 117.51 120.06 1a9x h ILE 3871Ca 0.24 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1a9x h ILE 3871Cb 0.22 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.29 1a9x h ILE 3871CO -0.02 0.26 -0.35 -0.33 -0.69 0.00 0.00 178.15 177.02 1a9x h GLU 3872N 0.98 -0.75 -0.87 2.37 5.08 -0.40 0.16 114.58 121.15 1a9x h GLU 3872Ca 0.24 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.83 1a9x h GLU 3872Cb 0.10 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.41 1a9x h GLU 3872CO -0.03 -0.50 0.43 -0.07 -1.00 0.00 0.00 179.01 177.84 1a9x h LEU 3873N -0.77 0.46 -0.02 1.33 3.38 -0.97 0.51 115.31 119.23 1a9x h LEU 3873Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1a9x h LEU 3873Cb 0.67 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1a9x h LEU 3873CO -0.02 0.13 0.01 0.40 0.09 0.00 0.00 178.44 179.05 1a9x h ILE 3874N 0.53 1.02 -0.39 1.22 2.04 -0.67 0.11 117.51 121.37 1a9x h ILE 3874Ca 0.51 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.36 1a9x h ILE 3874Cb 0.83 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1a9x h ILE 3874CO -0.43 0.02 0.08 -0.33 0.00 0.00 0.00 178.15 177.49 1a9x h GLU 3875N -0.00 0.20 -0.49 2.37 5.08 0.11 0.27 114.58 122.12 1a9x h GLU 3875Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1a9x h GLU 3875Cb 0.02 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1a9x h GLU 3875CO -0.00 0.14 0.32 0.37 -1.00 0.00 0.00 179.01 178.83 1a9x h GLN 3876N 0.21 0.63 0.00 2.33 4.15 -0.66 -0.54 115.11 121.22 1a9x h GLN 3876Ca 0.19 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 1a9x h GLN 3876Cb 0.22 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1a9x h GLN 3876CO -0.24 0.41 -0.19 -0.92 -1.93 0.00 0.00 178.83 175.96 1a9x h TYR 3877N 0.65 0.00 0.00 3.99 3.20 0.04 -0.87 116.97 123.97 1a9x h TYR 3877Ca 0.18 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1a9x h TYR 3877Cb -0.06 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1a9x h TYR 3877CO -0.05 0.19 -0.41 0.00 -1.64 0.00 0.00 178.16 176.26 1a9x h ARG 3878N 0.00 0.00 -0.76 1.82 3.08 0.59 -3.17 114.38 115.95 1a9x h ARG 3878Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1a9x h ARG 3878Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1a9x h ARG 3878CO 0.02 0.32 0.46 0.87 -1.07 0.00 0.00 179.97 180.57 1a9x h LYS 3879N 0.00 0.84 -0.03 0.04 1.57 0.33 -3.51 116.57 115.82 1a9x h LYS 3879Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1a9x h LYS 3879Cb 1.26 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1a9x h LYS 3879CO 0.04 0.55 0.00 2.41 -0.57 0.00 0.00 179.45 181.89