#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4o h GLU 21 N 0.00 0.00 0.00 -0.67 4.11 -1.96 -3.30 114.58 112.76 3m4o h GLU 21 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3m4o h GLU 21 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3m4o h GLU 21 CO 0.00 0.00 -1.46 0.43 0.07 0.00 0.00 179.01 178.05 3m4o n SER 22 N -2.48 0.74 -4.08 3.06 7.64 -1.26 -2.30 113.62 114.94 3m4o n SER 22 Ca 0.02 0.32 -0.44 0.00 1.01 0.00 0.00 58.87 59.78 3m4o n SER 22 Cb 0.49 0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 64.07 3m4o n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m4o n ALA 23 N -2.37 -2.76 -1.01 -0.43 0.00 -1.24 -4.52 120.51 108.17 3m4o n ALA 23 Ca -0.09 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 3m4o n ALA 23 Cb 0.79 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.88 3m4o n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3m4o s PRO 24 N -0.93 1.70 0.24 0.00 0.04 -1.26 0.22 135.00 135.01 3m4o s PRO 24 Ca 0.59 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 3m4o s PRO 24 Cb -0.84 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 3m4o s PRO 24 CO 0.53 -2.09 0.91 0.96 0.04 0.00 0.00 177.00 177.34 3m4o s ILE 25 N -2.78 4.16 0.56 0.56 -4.36 -1.26 -4.44 121.20 113.65 3m4o s ILE 25 Ca 0.64 1.95 -0.02 0.00 -0.26 0.00 0.00 60.65 62.96 3m4o s ILE 25 Cb -0.20 -4.22 0.02 0.00 1.25 0.00 0.00 42.46 39.32 3m4o s ILE 25 CO 0.57 0.42 0.82 0.42 0.24 0.00 0.00 174.94 177.41 3m4o s THR 26 N -1.27 3.12 0.16 8.37 -4.23 -1.26 -4.34 115.64 116.18 3m4o s THR 26 Ca 0.42 -0.42 -0.24 0.00 -1.18 0.00 0.00 61.69 60.27 3m4o s THR 26 Cb -0.24 -3.21 0.03 0.00 1.34 0.00 0.00 72.50 70.43 3m4o s THR 26 CO 0.29 -0.18 1.60 0.00 -0.54 0.00 0.00 174.62 175.79 3m4o h ALA 27 N -0.02 -0.25 -0.64 3.99 0.00 -1.96 -2.55 119.26 117.83 3m4o h ALA 27 Ca -0.44 0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.68 3m4o h ALA 27 Cb 1.28 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 19.65 3m4o h ALA 27 CO 0.57 -0.75 -0.15 0.93 0.00 0.00 0.00 179.25 179.84 3m4o h GLU 28 N -0.29 0.01 0.00 0.00 4.39 -2.01 0.17 114.58 116.85 3m4o h GLU 28 Ca 0.15 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3m4o h GLU 28 Cb 0.54 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3m4o h GLU 28 CO -0.50 0.00 0.39 -0.25 -1.16 0.00 0.00 179.01 177.50 3m4o n ASP 29 N -5.43 0.19 0.22 1.42 8.00 -0.96 -0.86 116.55 119.13 3m4o n ASP 29 Ca 0.08 0.41 0.06 0.00 0.71 0.00 0.00 54.79 56.05 3m4o n ASP 29 Cb 0.33 -0.33 0.52 0.00 -0.02 0.00 0.00 41.12 41.63 3m4o n ASP 29 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3m4o h SER 30 N 0.00 0.00 1.53 -2.24 0.87 -0.75 -2.95 113.55 110.01 3m4o h SER 30 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3m4o h SER 30 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3m4o h SER 30 CO 0.00 0.21 -0.35 -0.50 -0.53 0.00 0.00 176.83 175.66 3m4o h TRP 31 N 0.00 0.00 -0.85 2.24 4.06 -1.21 -2.12 115.95 118.07 3m4o h TRP 31 Ca -0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3m4o h TRP 31 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.52 3m4o h TRP 31 CO 0.00 0.00 0.47 0.00 -3.56 0.00 0.00 178.44 175.35 3m4o h ALA 32 N 2.11 1.09 -0.04 1.49 0.00 -1.69 -1.83 119.26 120.40 3m4o h ALA 32 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3m4o h ALA 32 Cb 0.94 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3m4o h ALA 32 CO 0.00 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 180.00 3m4o h VAL 33 N 1.18 1.45 -0.64 0.00 2.07 -1.59 -2.78 116.25 115.95 3m4o h VAL 33 Ca 0.30 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.44 3m4o h VAL 33 Cb 0.02 2.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 3m4o h VAL 33 CO -0.05 0.41 0.08 0.40 0.02 0.00 0.00 177.57 178.44 3m4o h ILE 34 N -0.39 0.54 -0.99 4.57 1.08 -1.40 0.92 117.51 121.84 3m4o h ILE 34 Ca -0.00 -0.07 0.18 0.00 -0.39 0.00 0.00 64.86 64.58 3m4o h ILE 34 Cb 0.73 0.33 -0.10 0.00 -3.07 0.00 0.00 36.82 34.71 3m4o h ILE 34 CO 0.03 0.04 0.61 0.28 -0.69 0.00 0.00 178.15 178.42 3m4o h SER 35 N 0.20 0.76 0.05 1.72 0.02 -1.26 -2.71 113.55 112.32 3m4o h SER 35 Ca 0.34 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3m4o h SER 35 Cb 0.56 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3m4o h SER 35 CO -0.49 0.30 -0.02 0.00 -1.14 0.00 0.00 176.83 175.48 3m4o h ALA 36 N 1.62 -0.07 -2.95 3.77 0.00 -0.54 -2.91 119.26 118.18 3m4o h ALA 36 Ca 0.55 -0.18 -0.55 0.00 0.00 0.00 0.00 54.91 54.73 3m4o h ALA 36 Cb 0.87 0.03 0.16 0.00 0.00 0.00 0.00 17.79 18.84 3m4o h ALA 36 CO -0.33 -0.36 0.47 0.12 0.00 0.00 0.00 179.25 179.15 3m4o s PHE 37 N -4.72 2.03 0.00 0.00 5.36 -0.95 -2.43 117.98 117.27 3m4o s PHE 37 Ca -0.15 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3m4o s PHE 37 Cb 0.03 -3.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.08 3m4o s PHE 37 CO 0.65 -2.87 0.00 1.19 -1.46 0.00 0.00 175.22 172.73 3m4o n PHE 38 N -2.25 0.00 -0.34 10.12 0.99 -1.26 -4.51 117.46 120.21 3m4o n PHE 38 Ca 0.15 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.76 3m4o n PHE 38 Cb 0.49 0.00 0.36 0.00 -1.00 0.00 0.00 39.48 39.33 3m4o n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3m4o h ARG 39 N 0.00 0.55 0.16 -1.08 3.08 -1.43 0.67 114.38 116.33 3m4o h ARG 39 Ca 0.00 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.69 3m4o h ARG 39 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3m4o h ARG 39 CO 0.00 0.37 -1.63 1.49 -1.07 0.00 0.00 179.97 179.13 3m4o h GLU 40 N 0.57 0.33 0.00 0.04 4.81 -1.71 -3.42 114.58 115.21 3m4o h GLU 40 Ca 0.62 -0.57 -0.33 0.00 -0.13 0.00 0.00 59.36 58.94 3m4o h GLU 40 Cb 1.14 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 3m4o h GLU 40 CO -0.47 1.27 -2.25 1.63 -0.73 0.00 0.00 179.01 178.46 3m4o n LYS 41 N -3.72 1.01 -0.62 1.92 5.02 -1.02 -5.10 118.16 115.64 3m4o n LYS 41 Ca -0.25 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.13 3m4o n LYS 41 Cb 1.01 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 34.53 3m4o n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m4o n GLY 42 N 1.92 -1.98 0.02 0.72 0.00 0.23 -3.69 105.19 102.40 3m4o n GLY 42 Ca -0.30 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3m4o n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4o n LEU 43 N 0.00 0.58 -0.35 0.99 4.77 -1.26 -3.88 117.00 117.85 3m4o n LEU 43 Ca 0.00 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3m4o n LEU 43 Cb 0.28 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 3m4o n LEU 43 CO 0.00 0.08 0.59 1.33 -1.33 0.00 0.00 177.39 178.07 3m4o n VAL 44 N -1.70 1.52 -0.16 4.08 0.24 -1.26 -4.88 118.33 116.17 3m4o n VAL 44 Ca 0.04 -1.54 -0.04 0.00 -2.04 0.00 0.00 64.34 60.76 3m4o n VAL 44 Cb 0.37 0.13 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 3m4o n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3m4o n SER 45 N -0.55 -0.42 -0.27 -1.34 3.41 -1.24 -0.48 113.62 112.73 3m4o n SER 45 Ca 0.11 0.98 0.23 0.00 -0.26 0.00 0.00 58.87 59.93 3m4o n SER 45 Cb 0.53 -0.23 0.43 0.00 -0.26 0.00 0.00 64.21 64.68 3m4o n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m4o n GLN 46 N -3.94 -0.05 0.22 4.33 -0.00 -1.26 0.53 117.38 117.20 3m4o n GLN 46 Ca 0.01 1.18 -0.13 0.00 -0.00 0.00 0.00 57.00 58.06 3m4o n GLN 46 Cb 0.10 -2.05 -0.07 0.00 -0.00 0.00 0.00 30.24 28.22 3m4o n GLN 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3m4o h GLN 47 N 0.00 -0.56 -0.62 2.61 1.08 -1.15 -1.68 115.11 114.79 3m4o h GLN 47 Ca 0.66 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.93 3m4o h GLN 47 Cb 1.65 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 29.17 3m4o h GLN 47 CO -0.68 -0.25 0.38 -0.07 -0.95 0.00 0.00 178.83 177.25 3m4o h LEU 48 N -0.96 0.60 -0.89 1.46 3.38 -1.03 0.25 115.31 118.12 3m4o h LEU 48 Ca -0.06 0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.11 3m4o h LEU 48 Cb 0.57 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 3m4o h LEU 48 CO 0.10 0.42 0.44 0.44 0.09 0.00 0.00 178.44 179.92 3m4o h ASP 49 N 0.73 0.46 1.07 -0.43 3.45 0.02 -2.37 116.42 119.35 3m4o h ASP 49 Ca 0.26 0.13 -0.18 0.00 0.43 0.00 0.00 57.03 57.66 3m4o h ASP 49 Cb 0.05 0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.86 3m4o h ASP 49 CO -0.11 0.10 -0.97 -1.28 -1.57 0.00 0.00 179.24 175.41 3m4o h SER 50 N 0.52 0.00 1.12 6.45 0.87 -0.11 -3.17 113.55 119.23 3m4o h SER 50 Ca 0.53 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.96 3m4o h SER 50 Cb 0.92 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 3m4o h SER 50 CO -0.45 0.78 -0.65 0.15 -0.53 0.00 0.00 176.83 176.13 3m4o h PHE 51 N 0.00 0.00 0.01 2.24 3.57 -0.73 -3.15 116.94 118.87 3m4o h PHE 51 Ca -0.06 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 3m4o h PHE 51 Cb 1.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.39 3m4o h PHE 51 CO 0.00 0.65 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.71 3m4o h ASN 52 N 0.00 0.08 0.00 0.41 2.35 -1.53 -2.53 115.58 114.36 3m4o h ASN 52 Ca -0.01 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 3m4o h ASN 52 Cb 1.38 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.73 3m4o h ASN 52 CO 0.08 0.92 0.00 1.67 -1.65 0.00 0.00 177.43 178.46 3m4o n GLN 53 N -4.60 0.09 0.00 0.81 -0.06 -1.20 -1.37 117.38 111.06 3m4o n GLN 53 Ca -0.10 0.59 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 3m4o n GLN 53 Cb 0.46 -1.81 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 3m4o n GLN 53 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3m4o n PHE 54 N -2.01 0.00 0.00 3.69 7.35 -1.19 -2.96 117.46 122.34 3m4o n PHE 54 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3m4o n PHE 54 Cb 0.03 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.86 3m4o n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3m4o n VAL 55 N 0.00 0.00 -0.00 -2.13 0.31 -0.96 0.11 118.33 115.66 3m4o n VAL 55 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 3m4o n VAL 55 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 3m4o n VAL 55 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3m4o h ASP 56 N 0.00 0.87 0.00 4.52 3.32 -1.48 -3.41 116.42 120.24 3m4o h ASP 56 Ca 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3m4o h ASP 56 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3m4o h ASP 56 CO 0.00 1.38 -0.01 -1.22 -1.72 0.00 0.00 179.24 177.67 3m4o n TYR 57 N -3.91 0.00 0.20 4.55 4.02 0.31 -4.70 117.16 117.62 3m4o n TYR 57 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.92 3m4o n TYR 57 Cb 0.76 -0.01 0.58 0.00 -0.02 0.00 0.00 39.34 40.65 3m4o n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3m4o h THR 58 N -0.01 0.00 0.07 -0.72 2.02 -1.37 0.46 112.91 113.35 3m4o h THR 58 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 3m4o h THR 58 Cb 0.01 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3m4o h THR 58 CO 0.00 0.00 -1.12 0.25 0.37 0.00 0.00 175.52 175.02 3m4o h LEU 59 N 0.00 0.66 -1.25 2.58 5.85 -1.79 -2.77 115.31 118.59 3m4o h LEU 59 Ca 0.00 -0.59 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 3m4o h LEU 59 Cb 0.30 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3m4o h LEU 59 CO 0.00 1.41 -0.36 -0.61 -0.34 0.00 0.00 178.44 178.54 3m4o h GLN 60 N 0.23 0.00 -0.05 1.25 5.75 -1.19 -2.76 115.11 118.34 3m4o h GLN 60 Ca -0.13 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.20 3m4o h GLN 60 Cb 1.79 0.00 0.01 0.00 1.07 0.00 0.00 27.48 30.35 3m4o h GLN 60 CO 0.20 0.36 -0.62 -0.44 -2.65 0.00 0.00 178.83 175.67 3m4o h ASP 61 N 0.00 0.64 0.55 -0.69 5.19 -1.53 -3.21 116.42 117.37 3m4o h ASP 61 Ca -0.00 -0.70 -0.12 0.00 -0.62 0.00 0.00 57.03 55.58 3m4o h ASP 61 Cb 0.69 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 3m4o h ASP 61 CO 0.05 1.25 -0.57 0.40 -3.12 0.00 0.00 179.24 177.24 3m4o h ILE 62 N 0.09 1.41 0.00 0.35 1.08 -1.52 -3.19 117.51 115.73 3m4o h ILE 62 Ca -0.06 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.45 3m4o h ILE 62 Cb 1.30 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 3m4o h ILE 62 CO 0.13 0.56 0.00 -0.29 -0.69 0.00 0.00 178.15 177.86 3m4o h ILE 63 N 0.01 0.00 -4.14 -0.67 6.09 -1.52 -3.42 117.51 113.86 3m4o h ILE 63 Ca -0.01 -0.43 -0.69 0.00 -1.37 0.00 0.00 64.86 62.36 3m4o h ILE 63 Cb 1.02 1.33 -0.24 0.00 0.47 0.00 0.00 36.82 39.39 3m4o h ILE 63 CO 0.08 0.00 -0.80 0.00 -3.07 0.00 0.00 178.15 174.36 3m4o n GLU 65 N 2.27 0.00 0.19 0.00 0.28 -1.26 -4.74 120.64 117.38 3m4o n GLU 65 Ca -0.17 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 56.96 3m4o n GLU 65 Cb 0.52 0.00 0.36 0.00 1.43 0.00 0.00 31.44 33.75 3m4o n GLU 65 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 3m4o h ASP 66 N 0.00 0.00 0.00 -1.84 2.03 -1.95 -3.35 116.42 111.31 3m4o h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3m4o h ASP 66 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3m4o h ASP 66 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 179.24 177.97 3m4o n SER 67 N -2.78 0.00 -4.77 4.15 2.88 -1.26 -4.48 113.62 107.36 3m4o n SER 67 Ca 0.04 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.17 3m4o n SER 67 Cb 0.43 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 3m4o n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m4o s THR 68 N -4.59 2.14 0.33 2.46 -1.32 -1.26 -4.70 115.64 108.70 3m4o s THR 68 Ca 0.00 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.69 3m4o s THR 68 Cb 0.00 -3.09 -0.06 0.00 -1.51 0.00 0.00 72.50 67.84 3m4o s THR 68 CO 0.00 0.03 -0.06 -0.76 -2.21 0.00 0.00 174.62 171.62 3m4o s LEU 69 N -1.46 2.61 -0.29 9.08 1.43 -1.26 -5.01 118.68 123.78 3m4o s LEU 69 Ca 0.56 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3m4o s LEU 69 Cb -0.46 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 44.98 3m4o s LEU 69 CO 0.56 -0.32 2.72 -0.38 0.23 0.00 0.00 176.35 179.17 3m4o n ILE 70 N -0.73 3.02 -0.32 -0.59 2.08 -1.26 -4.86 119.36 116.71 3m4o n ILE 70 Ca -0.05 -2.16 0.00 0.00 0.56 0.00 0.00 62.75 61.10 3m4o n ILE 70 Cb 0.64 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 3m4o n ILE 70 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3m4o n ILE 90 N 1.15 -0.42 -4.36 1.39 2.08 -1.15 -5.10 119.36 112.95 3m4o n ILE 90 Ca 0.39 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.45 3m4o n ILE 90 Cb 0.63 -0.85 -0.17 0.00 -0.75 0.00 0.00 39.64 38.51 3m4o n ILE 90 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3m4o s SER 91 N -0.09 1.88 0.25 4.38 1.04 0.02 -4.56 113.70 116.62 3m4o s SER 91 Ca 0.00 -0.30 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 3m4o s SER 91 Cb 0.00 -0.82 -0.09 0.00 0.10 0.00 0.00 66.02 65.21 3m4o s SER 91 CO 0.00 -0.02 0.87 -0.36 0.98 0.00 0.00 173.24 174.72 3m4o s PHE 92 N 0.99 3.81 0.00 5.02 0.40 -1.26 -2.20 117.98 124.73 3m4o s PHE 92 Ca -0.08 1.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 3m4o s PHE 92 Cb -0.15 -2.86 0.00 0.00 0.51 0.00 0.00 43.02 40.52 3m4o s PHE 92 CO -0.00 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.68 3m4o n GLY 93 N 1.03 2.71 3.75 4.36 0.00 0.32 -4.78 105.19 112.58 3m4o n GLY 93 Ca -0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3m4o n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m4o s LYS 94 N 3.30 4.23 -0.02 1.61 2.36 -1.26 -4.53 119.74 125.42 3m4o s LYS 94 Ca 0.00 2.37 -0.01 0.00 -2.55 0.00 0.00 55.97 55.78 3m4o s LYS 94 Cb 0.00 -3.09 -0.04 0.00 -1.05 0.00 0.00 37.83 33.66 3m4o s LYS 94 CO 0.00 -0.47 0.07 -1.50 1.55 0.00 0.00 175.35 175.00 3m4o s ILE 95 N -0.04 4.68 -0.05 5.43 2.07 -1.26 -0.20 121.20 131.82 3m4o s ILE 95 Ca 0.60 -0.37 0.05 0.00 -1.41 0.00 0.00 60.65 59.52 3m4o s ILE 95 Cb -0.43 -3.11 -0.01 0.00 0.13 0.00 0.00 42.46 39.04 3m4o s ILE 95 CO 0.45 0.40 -0.21 -0.31 -1.91 0.00 0.00 174.94 173.35 3m4o s TYR 96 N -1.14 2.10 -0.19 3.50 4.12 0.66 -4.97 117.35 121.43 3m4o s TYR 96 Ca 0.21 -0.63 -0.03 0.00 0.02 0.00 0.00 57.07 56.64 3m4o s TYR 96 Cb -0.12 -1.40 -0.01 0.00 -1.52 0.00 0.00 41.96 38.91 3m4o s TYR 96 CO 0.12 -0.20 -0.07 0.14 0.02 0.00 0.00 175.55 175.56 3m4o s VAL 97 N -0.05 3.32 0.84 0.71 -7.23 -1.26 -0.95 120.40 115.78 3m4o s VAL 97 Ca -0.04 -0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 3m4o s VAL 97 Cb -0.13 -2.48 0.10 0.00 0.56 0.00 0.00 36.38 34.43 3m4o s VAL 97 CO 0.03 0.46 1.10 -0.89 -0.31 0.00 0.00 175.10 175.48 3m4o s THR 98 N 1.10 2.86 -0.24 5.32 2.01 -0.82 -5.00 115.64 120.88 3m4o s THR 98 Ca 0.01 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 3m4o s THR 98 Cb -0.15 -2.91 0.01 0.00 0.01 0.00 0.00 72.50 69.47 3m4o s THR 98 CO -0.01 -0.36 1.05 -0.54 -0.69 0.00 0.00 174.62 174.07 3m4o s LYS 99 N -5.06 4.24 0.01 4.92 -0.14 -1.26 -4.67 119.74 117.78 3m4o s LYS 99 Ca 0.62 1.35 -0.03 0.00 -1.36 0.00 0.00 55.97 56.55 3m4o s LYS 99 Cb -0.16 -3.66 -0.01 0.00 -1.68 0.00 0.00 37.83 32.32 3m4o s LYS 99 CO 0.55 -0.66 0.06 -2.30 -0.76 0.00 0.00 175.35 172.24 3m4o n PRO 100 N 6.39 0.00 -3.73 -1.68 -0.02 -1.26 -4.84 135.00 129.85 3m4o n PRO 100 Ca 0.12 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 3m4o n PRO 100 Cb 0.46 -0.09 -0.03 0.00 -0.02 0.00 0.00 33.50 33.81 3m4o n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3m4o s MET 101 N -0.05 1.42 0.09 -0.52 -1.94 -0.96 -3.02 119.30 114.31 3m4o s MET 101 Ca 0.06 -0.86 0.08 0.00 -1.71 0.00 0.00 55.69 53.26 3m4o s MET 101 Cb -0.08 0.53 -0.03 0.00 2.01 0.00 0.00 34.83 37.26 3m4o s MET 101 CO 0.04 -0.61 -0.20 0.14 -0.01 0.00 0.00 175.02 174.39 3m4o s VAL 102 N -3.87 1.60 -0.37 -6.03 -7.23 -1.05 -4.57 120.40 98.88 3m4o s VAL 102 Ca 0.09 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3m4o s VAL 102 Cb -0.01 -1.45 0.11 0.00 0.56 0.00 0.00 36.38 35.58 3m4o s VAL 102 CO -0.02 -0.05 0.10 0.21 -0.31 0.00 0.00 175.10 175.03 3m4o s ASN 103 N -1.76 4.50 0.21 4.85 3.84 -1.26 -1.88 114.94 123.44 3m4o s ASN 103 Ca 0.05 -2.23 -0.30 0.00 0.21 0.00 0.00 52.86 50.59 3m4o s ASN 103 Cb -0.10 -1.46 -0.09 0.00 -0.55 0.00 0.00 41.25 39.06 3m4o s ASN 103 CO 0.04 -0.36 1.21 -1.61 -2.79 0.00 0.00 177.10 173.59 3m4o s GLU 104 N 0.81 4.49 0.39 0.43 0.41 -1.24 -4.96 118.70 119.02 3m4o s GLU 104 Ca 0.12 1.92 -0.28 0.00 -0.41 0.00 0.00 54.97 56.32 3m4o s GLU 104 Cb -0.20 -3.21 -0.11 0.00 -1.78 0.00 0.00 34.13 28.83 3m4o s GLU 104 CO -0.09 -0.08 1.47 -1.54 -0.49 0.00 0.00 175.26 174.53 3m4o s SER 105 N -0.03 6.29 -0.90 -0.19 1.04 -1.12 -2.21 113.70 116.59 3m4o s SER 105 Ca 0.52 3.02 -0.06 0.00 0.48 0.00 0.00 55.95 59.90 3m4o s SER 105 Cb -0.34 -2.67 0.01 0.00 0.10 0.00 0.00 66.02 63.13 3m4o s SER 105 CO 0.39 -0.90 0.62 -0.67 0.98 0.00 0.00 173.24 173.65 3m4o n ASP 106 N 0.38 -4.72 -3.59 7.02 2.03 -1.26 -4.83 116.55 111.57 3m4o n ASP 106 Ca 0.01 -1.03 -0.04 0.00 0.52 0.00 0.00 54.79 54.25 3m4o n ASP 106 Cb 0.40 -1.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.10 3m4o n ASP 106 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3m4o s GLY 107 N -3.09 -0.35 0.87 0.27 0.00 -0.94 -5.14 107.32 98.94 3m4o s GLY 107 Ca 0.09 1.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.82 3m4o s GLY 107 CO 0.91 0.35 1.19 -0.62 0.00 0.00 0.00 173.10 174.93 3m4o n VAL 108 N -0.24 0.00 -3.09 1.40 0.31 -1.26 -4.59 118.33 110.86 3m4o n VAL 108 Ca -0.04 -0.97 -0.40 0.00 -0.01 0.00 0.00 64.34 62.93 3m4o n VAL 108 Cb 0.60 -1.48 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 3m4o n VAL 108 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3m4o s THR 109 N -3.58 5.05 0.09 2.52 -1.32 -1.26 -3.70 115.64 113.45 3m4o s THR 109 Ca 0.68 1.33 0.10 0.00 -1.21 0.00 0.00 61.69 62.59 3m4o s THR 109 Cb -0.02 -3.99 -0.03 0.00 -1.51 0.00 0.00 72.50 66.94 3m4o s THR 109 CO 0.48 0.22 -0.25 -2.28 -2.21 0.00 0.00 174.62 170.57 3m4o s HIS 110 N 1.07 2.19 -0.60 9.09 2.46 -0.79 -4.98 115.29 123.73 3m4o s HIS 110 Ca 0.34 -0.39 -0.28 0.00 0.47 0.00 0.00 55.06 55.20 3m4o s HIS 110 Cb -0.17 -1.24 0.02 0.00 -0.13 0.00 0.00 32.58 31.07 3m4o s HIS 110 CO 0.15 0.24 1.30 0.00 -2.47 0.00 0.00 174.74 173.95 3m4o s ALA 111 N -0.97 2.87 -0.56 1.58 0.00 -1.26 -2.53 121.76 120.88 3m4o s ALA 111 Ca 0.12 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 3m4o s ALA 111 Cb -0.10 -4.11 0.04 0.00 0.00 0.00 0.00 23.12 18.96 3m4o s ALA 111 CO 0.04 -2.89 0.94 -1.17 0.00 0.00 0.00 175.76 172.68 3m4o s LEU 112 N 5.56 4.15 0.16 0.00 2.96 -1.17 -4.96 118.68 125.38 3m4o s LEU 112 Ca 0.45 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 3m4o s LEU 112 Cb -0.09 -2.77 -0.07 0.00 0.50 0.00 0.00 46.19 43.76 3m4o s LEU 112 CO 0.23 -1.25 0.63 -0.31 -1.32 0.00 0.00 176.35 174.34 3m4o s TYR 113 N 3.94 3.70 0.10 5.38 1.51 -1.26 -4.64 117.35 126.07 3m4o s TYR 113 Ca 0.29 1.27 -0.19 0.00 -1.01 0.00 0.00 57.07 57.43 3m4o s TYR 113 Cb -0.13 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.16 3m4o s TYR 113 CO 0.18 0.44 1.24 -2.30 -1.11 0.00 0.00 175.55 174.00 3m4o n PRO 114 N 1.07 -0.27 -0.32 -1.71 -0.02 -1.26 -0.25 135.00 132.23 3m4o n PRO 114 Ca -0.06 1.22 0.25 0.00 -2.02 0.00 0.00 63.50 62.90 3m4o n PRO 114 Cb 0.51 -1.81 0.55 0.00 -0.02 0.00 0.00 33.50 32.74 3m4o n PRO 114 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3m4o h GLN 115 N 0.00 0.31 0.12 -0.52 5.75 -1.89 -0.56 115.11 118.31 3m4o h GLN 115 Ca 0.10 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3m4o h GLN 115 Cb 0.25 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3m4o h GLN 115 CO -0.58 0.20 -0.06 1.49 -2.65 0.00 0.00 178.83 177.24 3m4o h GLU 116 N 0.32 -0.15 -0.04 1.69 4.81 -0.97 -2.81 114.58 117.43 3m4o h GLU 116 Ca 0.60 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.83 3m4o h GLU 116 Cb 1.66 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 3m4o h GLU 116 CO -0.26 0.04 0.00 0.00 -0.73 0.00 0.00 179.01 178.07 3m4o h ALA 117 N 0.55 1.92 0.00 2.92 0.00 -1.01 0.10 119.26 123.74 3m4o h ALA 117 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3m4o h ALA 117 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3m4o h ALA 117 CO 0.03 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.10 3m4o h ARG 118 N 0.06 0.00 0.00 0.00 3.08 -1.47 -0.33 114.38 115.72 3m4o h ARG 118 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3m4o h ARG 118 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3m4o h ARG 118 CO -0.00 0.24 -0.95 1.28 -1.07 0.00 0.00 179.97 179.47 3m4o n LEU 119 N -3.35 1.84 -1.41 3.04 4.32 0.16 -4.44 117.00 117.17 3m4o n LEU 119 Ca 0.00 0.52 -0.06 0.00 -0.02 0.00 0.00 56.01 56.46 3m4o n LEU 119 Cb 0.46 -0.90 0.12 0.00 -1.62 0.00 0.00 43.42 41.48 3m4o n LEU 119 CO 0.34 -0.10 0.74 -2.11 -1.22 0.00 0.00 177.39 175.04 3m4o n ARG 120 N -4.51 2.02 -4.03 3.23 1.85 -0.11 -4.89 116.66 110.21 3m4o n ARG 120 Ca -0.20 -1.40 -0.27 0.00 -1.00 0.00 0.00 57.85 54.97 3m4o n ARG 120 Cb 0.48 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 3m4o n ARG 120 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3m4o n ASN 121 N -0.06 -0.46 -0.25 2.89 5.03 -0.92 -4.70 115.26 116.80 3m4o n ASN 121 Ca 0.22 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.63 3m4o n ASN 121 Cb 0.91 -2.82 0.00 0.00 -1.02 0.00 0.00 39.78 36.85 3m4o n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3m4o n LEU 122 N -4.43 0.00 -3.78 3.41 4.77 -0.18 -4.05 117.00 112.75 3m4o n LEU 122 Ca -0.27 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.44 3m4o n LEU 122 Cb 0.67 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.59 3m4o n LEU 122 CO 0.78 0.00 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.56 3m4o s THR 123 N 1.86 0.63 -0.98 -5.08 2.01 -1.26 0.82 115.64 113.63 3m4o s THR 123 Ca 0.00 -0.39 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 3m4o s THR 123 Cb 0.00 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3m4o s THR 123 CO 0.00 0.01 1.91 -0.47 -0.69 0.00 0.00 174.62 175.37 3m4o s TYR 124 N 1.83 1.91 -0.02 4.92 5.04 -0.44 -4.87 117.35 125.72 3m4o s TYR 124 Ca 0.01 0.45 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 3m4o s TYR 124 Cb -0.15 -4.09 0.03 0.00 0.35 0.00 0.00 41.96 38.09 3m4o s TYR 124 CO -0.07 -1.64 0.03 -1.54 -1.34 0.00 0.00 175.55 170.99 3m4o s SER 125 N 7.41 0.06 0.60 4.32 1.04 -1.26 -0.95 113.70 124.91 3m4o s SER 125 Ca 0.68 0.04 -0.08 0.00 0.48 0.00 0.00 55.95 57.07 3m4o s SER 125 Cb -0.05 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3m4o s SER 125 CO 0.02 -0.12 0.94 -0.94 0.98 0.00 0.00 173.24 174.12 3m4o s SER 126 N 1.02 5.86 0.33 7.02 1.04 -0.95 -2.27 113.70 125.74 3m4o s SER 126 Ca -0.08 1.00 -0.15 0.00 0.48 0.00 0.00 55.95 57.20 3m4o s SER 126 Cb -0.12 -2.05 -0.09 0.00 0.10 0.00 0.00 66.02 63.87 3m4o s SER 126 CO -0.03 -0.97 0.74 -0.83 0.98 0.00 0.00 173.24 173.14 3m4o s GLY 127 N -4.24 2.29 0.04 7.32 0.00 -1.26 -1.59 107.32 109.88 3m4o s GLY 127 Ca 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 3m4o s GLY 127 CO 0.48 0.23 0.27 1.08 0.00 0.00 0.00 173.10 175.16 3m4o s LEU 128 N -3.08 4.35 -0.10 0.66 2.01 0.12 -1.95 118.68 120.69 3m4o s LEU 128 Ca 0.54 0.48 -0.06 0.00 0.01 0.00 0.00 54.13 55.10 3m4o s LEU 128 Cb -0.10 -2.84 0.04 0.00 0.01 0.00 0.00 46.19 43.30 3m4o s LEU 128 CO 0.19 0.20 0.25 -0.36 1.01 0.00 0.00 176.35 177.63 3m4o s PHE 129 N -1.41 -0.31 0.01 0.29 0.40 -0.13 -2.45 117.98 114.39 3m4o s PHE 129 Ca 0.31 0.74 0.05 0.00 -0.60 0.00 0.00 56.93 57.43 3m4o s PHE 129 Cb -0.13 0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.45 3m4o s PHE 129 CO 0.20 -0.20 -0.15 0.08 0.70 0.00 0.00 175.22 175.86 3m4o s VAL 130 N 0.84 1.19 -0.84 -0.44 1.01 0.09 0.24 120.40 122.49 3m4o s VAL 130 Ca -0.06 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 3m4o s VAL 130 Cb -0.07 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.34 3m4o s VAL 130 CO -0.05 0.21 1.28 -1.81 0.00 0.00 0.00 175.10 174.73 3m4o s ASP 131 N -0.68 6.33 -0.20 3.32 -0.00 0.72 -2.95 116.67 123.20 3m4o s ASP 131 Ca 0.05 -1.03 -0.13 0.00 -0.00 0.00 0.00 52.55 51.44 3m4o s ASP 131 Cb -0.07 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.28 3m4o s ASP 131 CO 0.00 -1.59 0.25 -0.69 -0.00 0.00 0.00 175.17 173.14 3m4o s VAL 132 N 4.94 5.31 0.02 -1.27 1.01 -1.26 -0.52 120.40 128.63 3m4o s VAL 132 Ca 0.37 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.82 3m4o s VAL 132 Cb -0.06 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3m4o s VAL 132 CO 0.03 0.35 -0.14 -0.54 0.00 0.00 0.00 175.10 174.81 3m4o s LYS 133 N 0.83 2.27 -0.06 2.72 1.02 -0.94 -4.96 119.74 120.63 3m4o s LYS 133 Ca 0.13 -0.87 0.10 0.00 0.02 0.00 0.00 55.97 55.35 3m4o s LYS 133 Cb -0.13 -2.31 0.40 0.00 -0.52 0.00 0.00 37.83 35.26 3m4o s LYS 133 CO 0.04 0.57 1.24 0.36 -0.92 0.00 0.00 175.35 176.64 3m4o n LYS 134 N 1.58 2.50 0.00 1.68 0.00 -1.26 -0.80 118.16 121.87 3m4o n LYS 134 Ca -0.16 -1.58 0.00 0.00 -0.00 0.00 0.00 58.31 56.58 3m4o n LYS 134 Cb 0.52 -1.60 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 3m4o n LYS 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3m4o n LYS 164 N 0.52 0.00 -4.10 -1.58 4.81 -1.26 -4.53 118.16 112.02 3m4o n LYS 164 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.44 3m4o n LYS 164 Cb 0.54 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.46 3m4o n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3m4o s VAL 165 N -0.62 0.40 -0.27 3.15 1.01 -1.15 -4.99 120.40 117.93 3m4o s VAL 165 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 3m4o s VAL 165 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 3m4o s VAL 165 CO 0.00 -0.07 0.29 0.12 0.00 0.00 0.00 175.10 175.44 3m4o s PHE 166 N -0.55 3.24 -0.69 5.22 5.36 -1.26 -0.73 117.98 128.56 3m4o s PHE 166 Ca -0.03 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.27 3m4o s PHE 166 Cb -0.05 -2.48 0.31 0.00 -0.34 0.00 0.00 43.02 40.46 3m4o s PHE 166 CO -0.00 -0.19 1.04 -0.89 -1.46 0.00 0.00 175.22 173.72 3m4o n ILE 167 N 5.06 3.41 -4.13 3.12 2.08 -1.02 -4.76 119.36 123.11 3m4o n ILE 167 Ca -0.11 -5.56 0.00 0.00 0.56 0.00 0.00 62.75 57.64 3m4o n ILE 167 Cb 0.51 -1.67 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 3m4o n ILE 167 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3m4o n GLY 168 N 0.21 -0.30 3.21 7.39 0.00 -1.26 -4.42 105.19 110.02 3m4o n GLY 168 Ca 0.32 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3m4o n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4o s ARG 169 N 0.00 2.40 -0.21 1.61 0.52 -1.26 0.13 118.95 122.14 3m4o s ARG 169 Ca 0.00 -0.80 -0.13 0.00 -0.52 0.00 0.00 55.73 54.27 3m4o s ARG 169 Cb 0.00 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 3m4o s ARG 169 CO 0.00 0.30 0.29 -1.17 0.02 0.00 0.00 175.30 174.74 3m4o s LEU 170 N 0.01 4.16 0.28 2.53 2.96 -0.62 -4.56 118.68 123.43 3m4o s LEU 170 Ca -0.07 0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 3m4o s LEU 170 Cb -0.14 -2.34 -0.11 0.00 0.50 0.00 0.00 46.19 44.10 3m4o s LEU 170 CO 0.04 0.01 1.60 -2.84 -1.32 0.00 0.00 176.35 173.84 3m4o s PRO 171 N 1.07 4.13 -0.21 0.98 0.02 -1.26 -2.25 135.00 137.48 3m4o s PRO 171 Ca 0.14 2.57 -0.09 0.00 0.02 0.00 0.00 61.00 63.64 3m4o s PRO 171 Cb -0.14 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 3m4o s PRO 171 CO 0.06 -0.64 0.10 0.42 -0.33 0.00 0.00 177.00 176.61 3m4o s ILE 172 N 0.15 4.95 0.05 2.83 -1.09 -0.13 -4.91 121.20 123.05 3m4o s ILE 172 Ca 0.64 0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.79 3m4o s ILE 172 Cb -0.48 -3.27 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 3m4o s ILE 172 CO 0.46 0.41 1.42 -0.32 -1.23 0.00 0.00 174.94 175.68 3m4o s MET 173 N 0.73 4.29 -0.12 2.79 -2.45 -1.26 -4.43 119.30 118.85 3m4o s MET 173 Ca 0.05 2.04 -0.29 0.00 -1.25 0.00 0.00 55.69 56.24 3m4o s MET 173 Cb -0.13 -3.45 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 3m4o s MET 173 CO 0.02 -0.54 1.28 -1.17 1.05 0.00 0.00 175.02 175.66 3m4o s LEU 174 N 1.93 4.22 0.00 4.11 2.96 0.61 -2.39 118.68 130.12 3m4o s LEU 174 Ca 0.65 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 3m4o s LEU 174 Cb -0.34 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.80 3m4o s LEU 174 CO 0.29 -0.73 0.00 -1.14 -1.32 0.00 0.00 176.35 173.45 3m4o n ARG 175 N 6.20 0.00 0.00 1.98 3.00 -1.26 -2.04 116.66 124.54 3m4o n ARG 175 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.98 3m4o n ARG 175 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 32.46 32.62 3m4o n ARG 175 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3m4o n SER 176 N 0.00 -0.65 0.47 6.15 3.41 -1.01 -4.46 113.62 117.54 3m4o n SER 176 Ca 0.00 -0.61 -0.20 0.00 -0.26 0.00 0.00 58.87 57.80 3m4o n SER 176 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3m4o n SER 176 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m4o h LYS 177 N 0.00 -1.23 0.00 4.33 1.57 -1.92 -3.27 116.57 116.05 3m4o h LYS 177 Ca 0.00 0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3m4o h LYS 177 Cb 0.00 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3m4o h LYS 177 CO 0.00 -0.82 -0.47 -0.91 -0.57 0.00 0.00 179.45 176.68 3m4o h ASN 178 N -1.27 0.00 -3.59 0.86 2.35 -1.93 -3.44 115.58 108.56 3m4o h ASN 178 Ca -0.12 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.10 3m4o h ASN 178 Cb 1.00 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.46 3m4o h ASN 178 CO 0.15 0.47 0.80 0.00 -1.65 0.00 0.00 177.43 177.19 3m4o h TYR 180 N 4.17 0.75 0.00 0.00 -1.99 -1.87 -2.04 116.97 116.00 3m4o h TYR 180 Ca -0.48 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.27 3m4o h TYR 180 Cb 1.23 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.72 3m4o h TYR 180 CO 0.57 0.37 0.00 1.28 -0.00 0.00 0.00 178.16 180.38 3m4o n LEU 181 N -4.74 0.00 0.27 3.88 4.77 -1.26 -2.28 117.00 117.63 3m4o n LEU 181 Ca 0.09 0.22 0.18 0.00 -0.03 0.00 0.00 56.01 56.47 3m4o n LEU 181 Cb 0.17 -0.22 0.88 0.00 -2.33 0.00 0.00 43.42 41.92 3m4o n LEU 181 CO 0.30 -0.16 1.03 0.77 -1.33 0.00 0.00 177.39 178.00 3m4o h SER 182 N 0.00 0.00 0.00 -1.43 4.64 -1.54 -2.97 113.55 112.24 3m4o h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m4o h SER 182 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3m4o h SER 182 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3m4o n GLU 183 N -2.83 1.17 -3.14 4.77 4.71 -0.97 -5.01 120.64 119.35 3m4o n GLU 183 Ca -0.01 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.16 55.86 3m4o n GLU 183 Cb 0.14 -0.71 -0.06 0.00 -1.01 0.00 0.00 31.44 29.80 3m4o n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3m4o s ALA 184 N -0.40 3.49 0.98 0.62 0.00 -1.13 -5.09 121.76 120.24 3m4o s ALA 184 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3m4o s ALA 184 Cb 0.00 -2.80 0.18 0.00 0.00 0.00 0.00 23.12 20.50 3m4o s ALA 184 CO 0.00 0.23 1.11 0.95 0.00 0.00 0.00 175.76 178.05 3m4o s THR 185 N -0.59 2.00 0.00 0.00 -4.23 -1.26 -4.84 115.64 106.72 3m4o s THR 185 Ca 0.33 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.60 3m4o s THR 185 Cb -0.20 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 70.93 3m4o s THR 185 CO 0.20 -0.00 1.05 -0.08 -0.54 0.00 0.00 174.62 175.26 3m4o h GLU 186 N -1.81 -0.67 -0.91 3.99 4.81 -2.00 -1.50 114.58 116.50 3m4o h GLU 186 Ca -0.54 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3m4o h GLU 186 Cb 1.33 0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 3m4o h GLU 186 CO 0.59 -0.38 0.58 0.66 -0.73 0.00 0.00 179.01 179.74 3m4o h SER 187 N -1.07 0.82 -0.77 1.04 4.64 -2.00 0.18 113.55 116.39 3m4o h SER 187 Ca -0.07 0.02 0.17 0.00 -0.47 0.00 0.00 61.79 61.44 3m4o h SER 187 Cb 0.60 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.41 3m4o h SER 187 CO 0.12 0.48 -0.08 0.44 -0.87 0.00 0.00 176.83 176.92 3m4o h ASP 188 N 0.90 -0.51 0.87 4.97 3.32 -1.88 -2.16 116.42 121.94 3m4o h ASP 188 Ca 0.42 0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.65 3m4o h ASP 188 Cb 0.42 0.41 0.01 0.00 0.22 0.00 0.00 39.33 40.38 3m4o h ASP 188 CO -0.19 -0.22 -0.42 -0.07 -1.72 0.00 0.00 179.24 176.62 3m4o h LEU 189 N 0.05 -0.99 -0.97 1.55 3.38 0.43 -2.67 115.31 116.08 3m4o h LEU 189 Ca 0.40 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.60 3m4o h LEU 189 Cb 0.69 0.26 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 3m4o h LEU 189 CO -0.73 -0.69 -0.25 1.88 0.09 0.00 0.00 178.44 178.74 3m4o h TYR 190 N -1.21 -0.54 -0.71 1.13 0.99 -1.04 1.66 116.97 117.26 3m4o h TYR 190 Ca -0.12 0.09 0.08 0.00 2.00 0.00 0.00 58.73 60.78 3m4o h TYR 190 Cb 0.90 0.39 -0.04 0.00 1.00 0.00 0.00 36.73 38.97 3m4o h TYR 190 CO 0.02 -0.42 0.47 -0.22 -0.00 0.00 0.00 178.16 178.01 3m4o h LYS 191 N -0.00 0.65 0.00 4.88 3.64 -1.32 0.31 116.57 124.73 3m4o h LYS 191 Ca 0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3m4o h LYS 191 Cb 0.70 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3m4o h LYS 191 CO -1.00 0.43 0.00 1.28 -2.27 0.00 0.00 179.45 177.89 3m4o n LEU 192 N -4.48 0.00 -3.27 5.20 4.77 0.56 -4.86 117.00 114.92 3m4o n LEU 192 Ca 0.11 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 3m4o n LEU 192 Cb 0.28 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3m4o n LEU 192 CO 0.33 0.00 0.13 0.29 -1.33 0.00 0.00 177.39 176.81 3m4o n LYS 193 N -0.81 -6.45 -4.85 3.23 5.02 0.10 -4.59 118.16 109.81 3m4o n LYS 193 Ca 0.13 0.86 -0.32 0.00 -2.02 0.00 0.00 58.31 56.96 3m4o n LYS 193 Cb 0.06 -5.79 -0.17 0.00 -0.02 0.00 0.00 35.03 29.12 3m4o n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m4o s GLU 194 N -6.01 3.04 0.14 1.97 0.41 -1.17 -4.87 118.70 112.22 3m4o s GLU 194 Ca 0.45 -0.86 -0.31 0.00 -0.41 0.00 0.00 54.97 53.84 3m4o s GLU 194 Cb -0.20 -2.40 -0.10 0.00 -1.78 0.00 0.00 34.13 29.66 3m4o s GLU 194 CO 0.55 0.05 1.59 0.00 -0.49 0.00 0.00 175.26 176.96 3m4o n PRO 196 N 4.34 1.10 -0.07 0.00 -0.04 -1.26 -2.20 135.00 136.87 3m4o n PRO 196 Ca 0.14 -0.08 -0.08 0.00 -0.04 0.00 0.00 63.50 63.44 3m4o n PRO 196 Cb 0.39 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.26 3m4o n PRO 196 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3m4o n PHE 197 N 0.03 0.00 -1.50 0.54 3.01 -1.26 -5.00 117.46 113.27 3m4o n PHE 197 Ca 0.01 0.00 -0.62 0.00 1.01 0.00 0.00 57.45 57.85 3m4o n PHE 197 Cb 0.28 -0.63 -0.10 0.00 -0.01 0.00 0.00 39.48 39.02 3m4o n PHE 197 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3m4o n ASP 198 N -2.68 1.00 -0.00 4.37 2.03 -0.93 -4.84 116.55 115.51 3m4o n ASP 198 Ca -0.24 0.97 0.07 0.00 0.52 0.00 0.00 54.79 56.11 3m4o n ASP 198 Cb 0.87 -0.84 -0.09 0.00 -0.72 0.00 0.00 41.12 40.34 3m4o n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3m4o n MET 199 N 4.89 1.69 -1.00 -0.67 0.00 -1.26 -4.98 117.12 115.79 3m4o n MET 199 Ca 0.37 -0.03 0.14 0.00 0.00 0.00 0.00 57.70 58.18 3m4o n MET 199 Cb -0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 33.22 31.89 3m4o n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3m4o n GLY 200 N 1.41 -1.70 0.00 3.17 0.00 -1.26 -4.86 105.19 101.94 3m4o n GLY 200 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3m4o n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m4o n GLY 201 N -3.24 1.09 3.82 -0.02 0.00 -0.87 -4.90 105.19 101.07 3m4o n GLY 201 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3m4o n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m4o s TYR 202 N -2.00 1.99 0.27 1.61 -0.85 -1.26 -4.60 117.35 112.51 3m4o s TYR 202 Ca 0.00 -0.78 0.12 0.00 -0.52 0.00 0.00 57.07 55.88 3m4o s TYR 202 Cb 0.00 -1.87 -0.05 0.00 0.38 0.00 0.00 41.96 40.42 3m4o s TYR 202 CO 0.00 -0.12 -0.21 -0.06 -1.52 0.00 0.00 175.55 173.65 3m4o s PHE 203 N -2.74 2.29 -0.22 -3.49 0.40 -0.13 -0.28 117.98 113.82 3m4o s PHE 203 Ca 0.30 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 3m4o s PHE 203 Cb 0.00 -1.01 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 3m4o s PHE 203 CO 0.18 0.69 -0.03 0.42 0.70 0.00 0.00 175.22 177.17 3m4o s ILE 204 N -2.38 3.51 -0.07 0.64 1.09 -1.26 -0.85 121.20 121.87 3m4o s ILE 204 Ca 0.29 -0.45 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 3m4o s ILE 204 Cb -0.05 -2.59 0.01 0.00 -1.06 0.00 0.00 42.46 38.76 3m4o s ILE 204 CO 0.14 0.42 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.62 3m4o s ILE 205 N 1.39 1.37 -1.07 2.92 -1.09 -0.44 -1.32 121.20 122.96 3m4o s ILE 205 Ca 0.05 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.74 3m4o s ILE 205 Cb -0.14 -1.23 0.01 0.00 -1.58 0.00 0.00 42.46 39.52 3m4o s ILE 205 CO -0.02 0.41 0.19 0.59 -1.23 0.00 0.00 174.94 174.88 3m4o n ASN 206 N 3.70 -0.69 0.00 3.58 3.02 0.24 -0.24 115.26 124.86 3m4o n ASN 206 Ca -0.22 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3m4o n ASN 206 Cb 0.52 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3m4o n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m4o n GLY 207 N -2.05 2.29 3.84 7.41 0.00 0.21 -4.67 105.19 112.21 3m4o n GLY 207 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3m4o n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m4o s SER 208 N -0.64 6.85 -0.33 1.61 1.04 0.66 -4.41 113.70 118.48 3m4o s SER 208 Ca 0.00 1.03 -0.24 0.00 0.48 0.00 0.00 55.95 57.21 3m4o s SER 208 Cb 0.00 -2.27 0.01 0.00 0.10 0.00 0.00 66.02 63.86 3m4o s SER 208 CO 0.00 0.26 0.85 -1.61 0.98 0.00 0.00 173.24 173.72 3m4o s GLU 209 N -1.32 3.90 -0.13 4.02 2.02 -1.26 -1.32 118.70 124.61 3m4o s GLU 209 Ca 0.28 0.57 -0.05 0.00 0.02 0.00 0.00 54.97 55.79 3m4o s GLU 209 Cb -0.17 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 3m4o s GLU 209 CO 0.16 -0.80 0.04 0.15 0.02 0.00 0.00 175.26 174.83 3m4o s LYS 210 N 3.17 3.45 -0.11 1.61 -0.14 -0.03 -3.06 119.74 124.64 3m4o s LYS 210 Ca 0.35 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.62 3m4o s LYS 210 Cb -0.13 -3.01 -0.02 0.00 -1.68 0.00 0.00 37.83 32.99 3m4o s LYS 210 CO 0.15 0.54 -0.13 0.08 -0.76 0.00 0.00 175.35 175.22 3m4o s VAL 211 N -0.39 3.06 -0.28 3.17 1.01 0.13 -0.95 120.40 126.14 3m4o s VAL 211 Ca 0.09 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 3m4o s VAL 211 Cb -0.12 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3m4o s VAL 211 CO 0.02 0.54 0.93 -0.76 0.00 0.00 0.00 175.10 175.83 3m4o s LEU 212 N 0.05 4.05 -0.22 3.92 1.43 -1.26 -1.62 118.68 125.03 3m4o s LEU 212 Ca -0.05 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 53.83 3m4o s LEU 212 Cb -0.14 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 3m4o s LEU 212 CO 0.04 -0.67 0.72 -0.63 0.23 0.00 0.00 176.35 176.04 3m4o s ILE 213 N 3.16 4.94 -0.43 -0.59 -1.09 -1.26 -4.74 121.20 121.19 3m4o s ILE 213 Ca 0.39 1.36 -0.40 0.00 -2.23 0.00 0.00 60.65 59.77 3m4o s ILE 213 Cb -0.14 -4.02 -0.16 0.00 -1.58 0.00 0.00 42.46 36.56 3m4o s ILE 213 CO 0.11 0.03 2.16 0.00 -1.23 0.00 0.00 174.94 176.01 3m4o n ALA 214 N 5.49 0.60 -2.65 9.38 0.00 -1.11 -4.73 120.51 127.48 3m4o n ALA 214 Ca 0.02 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 3m4o n ALA 214 Cb 0.49 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3m4o n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3m4o s GLN 215 N 6.10 4.22 -0.10 0.00 -1.52 -1.02 -0.17 119.66 127.17 3m4o s GLN 215 Ca 1.15 0.84 -0.20 0.00 -1.95 0.00 0.00 55.36 55.21 3m4o s GLN 215 Cb -1.22 -3.60 -0.04 0.00 -0.22 0.00 0.00 33.01 27.93 3m4o s GLN 215 CO 0.58 -0.37 0.54 -2.00 -0.25 0.00 0.00 175.29 173.80 3m4o s GLU 216 N 2.32 4.36 0.23 2.91 2.12 0.20 -0.62 118.70 130.23 3m4o s GLU 216 Ca 0.33 0.57 0.01 0.00 0.36 0.00 0.00 54.97 56.25 3m4o s GLU 216 Cb -0.16 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 3m4o s GLU 216 CO 0.10 0.14 0.09 -0.98 -0.54 0.00 0.00 175.26 174.07 3m4o s ARG 217 N 0.63 1.32 -0.04 4.30 1.70 -0.37 -4.46 118.95 122.03 3m4o s ARG 217 Ca 0.29 -1.70 -0.25 0.00 -0.47 0.00 0.00 55.73 53.60 3m4o s ARG 217 Cb -0.16 -0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.02 3m4o s ARG 217 CO 0.13 -0.29 0.76 0.45 -1.08 0.00 0.00 175.30 175.27 3m4o s SER 218 N -3.26 7.09 0.46 -2.89 0.15 -1.26 -1.60 113.70 112.38 3m4o s SER 218 Ca 0.36 1.31 -0.24 0.00 0.70 0.00 0.00 55.95 58.07 3m4o s SER 218 Cb 0.07 -2.45 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 3m4o s SER 218 CO 0.12 -0.13 1.31 0.00 1.20 0.00 0.00 173.24 175.74 3m4o s ALA 219 N 0.74 3.09 0.83 5.45 0.00 -0.47 -4.84 121.76 126.57 3m4o s ALA 219 Ca 0.40 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 3m4o s ALA 219 Cb -0.19 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.53 3m4o s ALA 219 CO 0.21 -1.00 1.20 0.20 0.00 0.00 0.00 175.76 176.37 3m4o s GLY 220 N -0.87 1.63 -1.60 0.00 0.00 -1.26 -4.51 107.32 100.71 3m4o s GLY 220 Ca 0.63 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 44.44 3m4o s GLY 220 CO 0.47 -0.22 0.82 0.70 0.00 0.00 0.00 173.10 174.87 3m4o n ASN 221 N -3.39 -3.51 -4.12 1.64 4.13 0.50 -4.94 115.26 105.57 3m4o n ASN 221 Ca 0.09 -0.92 -0.20 0.00 1.68 0.00 0.00 54.58 55.23 3m4o n ASN 221 Cb 0.61 -3.26 -0.14 0.00 -1.54 0.00 0.00 39.78 35.45 3m4o n ASN 221 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3m4o s ILE 222 N -3.37 1.07 -0.11 2.41 1.01 -1.26 -4.44 121.20 116.50 3m4o s ILE 222 Ca 0.61 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 3m4o s ILE 222 Cb -0.32 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 3m4o s ILE 222 CO 0.88 0.11 0.82 -0.69 0.00 0.00 0.00 174.94 176.06 3m4o s VAL 223 N -0.63 4.93 -0.03 2.92 1.01 -1.26 -4.10 120.40 123.23 3m4o s VAL 223 Ca 0.03 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 3m4o s VAL 223 Cb -0.07 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.20 3m4o s VAL 223 CO 0.01 0.12 0.05 -1.10 0.00 0.00 0.00 175.10 174.18 3m4o s GLN 224 N 1.55 0.00 -0.20 2.72 -0.21 -0.84 -5.00 119.66 117.68 3m4o s GLN 224 Ca 0.40 0.20 -0.06 0.00 0.02 0.00 0.00 55.36 55.92 3m4o s GLN 224 Cb -0.18 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 3m4o s GLN 224 CO 0.17 -0.13 0.04 0.08 -2.12 0.00 0.00 175.29 173.32 3m4o s VAL 225 N 0.87 4.37 -0.27 1.09 1.01 -1.26 -0.72 120.40 125.48 3m4o s VAL 225 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3m4o s VAL 225 Cb -0.10 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.37 3m4o s VAL 225 CO -0.03 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.12 3m4o s PHE 226 N 0.83 2.72 0.25 5.22 2.99 0.74 -1.67 117.98 129.06 3m4o s PHE 226 Ca 0.02 -2.10 -0.31 0.00 0.00 0.00 0.00 56.93 54.54 3m4o s PHE 226 Cb -0.14 -1.94 -0.13 0.00 0.00 0.00 0.00 43.02 40.81 3m4o s PHE 226 CO 0.02 -0.84 1.39 1.63 -0.00 0.00 0.00 175.22 177.42 3m4o n LYS 227 N 4.57 2.04 -3.73 0.44 5.02 -1.26 -2.68 118.16 122.56 3m4o n LYS 227 Ca -0.07 0.72 -0.28 0.00 -2.02 0.00 0.00 58.31 56.66 3m4o n LYS 227 Cb 0.43 -2.37 -0.12 0.00 -0.02 0.00 0.00 35.03 32.95 3m4o n LYS 227 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3m4o s LYS 228 N -0.62 1.74 0.49 1.97 1.02 0.04 -4.97 119.74 119.42 3m4o s LYS 228 Ca 0.66 -2.65 0.00 0.00 0.02 0.00 0.00 55.97 54.00 3m4o s LYS 228 Cb -0.64 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 3m4o s LYS 228 CO 0.51 -1.27 0.00 0.00 -0.92 0.00 0.00 175.35 173.67 3m4o n ALA 229 N 2.66 -3.78 0.10 5.17 0.00 -1.26 -4.50 120.51 118.89 3m4o n ALA 229 Ca 0.19 0.71 -0.05 0.00 0.00 0.00 0.00 53.44 54.29 3m4o n ALA 229 Cb 0.38 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 3m4o n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m4o h ALA 230 N -1.39 -0.35 -0.26 0.00 0.00 -1.99 -3.39 119.26 111.87 3m4o h ALA 230 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3m4o h ALA 230 Cb 1.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3m4o h ALA 230 CO 0.05 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.62 3m4o n PRO 231 N -4.89 2.47 -2.89 0.00 -0.04 -1.26 -4.91 135.00 123.47 3m4o n PRO 231 Ca -0.04 -1.30 -0.33 0.00 -0.04 0.00 0.00 63.50 61.79 3m4o n PRO 231 Cb 0.13 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 3m4o n PRO 231 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3m4o s SER 232 N -0.47 6.84 0.38 3.54 1.04 -1.26 -4.99 113.70 118.78 3m4o s SER 232 Ca 0.23 1.52 0.20 0.00 0.48 0.00 0.00 55.95 58.38 3m4o s SER 232 Cb 0.16 -2.47 0.57 0.00 0.10 0.00 0.00 66.02 64.37 3m4o s SER 232 CO 0.08 -0.33 1.67 1.55 0.98 0.00 0.00 173.24 177.20 3m4o h PRO 233 N 1.92 0.00 -4.91 4.02 0.13 -1.92 -3.44 132.00 127.80 3m4o h PRO 233 Ca -0.48 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 3m4o h PRO 233 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 3m4o h PRO 233 CO 0.63 0.33 -0.58 0.96 -0.23 0.00 0.00 178.00 179.10 3m4o s ILE 234 N -3.39 4.65 -0.06 -3.56 -0.00 -1.26 -0.03 121.20 117.55 3m4o s ILE 234 Ca 0.02 -0.10 -0.23 0.00 -0.00 0.00 0.00 60.65 60.34 3m4o s ILE 234 Cb 0.09 -3.22 -0.29 0.00 -0.00 0.00 0.00 42.46 39.04 3m4o s ILE 234 CO 0.68 0.27 0.91 0.77 -0.00 0.00 0.00 174.94 177.58 3m4o h SER 235 N 8.29 0.38 -2.37 4.36 4.64 -1.49 -3.41 113.55 123.95 3m4o h SER 235 Ca -0.36 -0.93 -0.56 0.00 -0.47 0.00 0.00 61.79 59.47 3m4o h SER 235 Cb 1.18 -0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 63.01 3m4o h SER 235 CO 0.57 1.28 -0.59 -1.00 -0.87 0.00 0.00 176.83 176.22 3m4o s HIS 236 N -2.54 2.16 -0.18 4.77 3.76 -1.26 -0.78 115.29 121.23 3m4o s HIS 236 Ca -0.15 -0.87 -0.15 0.00 -0.15 0.00 0.00 55.06 53.75 3m4o s HIS 236 Cb 0.01 -1.50 0.05 0.00 1.11 0.00 0.00 32.58 32.25 3m4o s HIS 236 CO 0.80 0.18 0.47 0.08 -0.85 0.00 0.00 174.74 175.42 3m4o s VAL 237 N -3.03 -0.01 -0.12 -0.90 1.01 -1.09 -2.71 120.40 113.56 3m4o s VAL 237 Ca 0.32 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3m4o s VAL 237 Cb 0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3m4o s VAL 237 CO 0.15 0.01 -0.13 0.00 0.00 0.00 0.00 175.10 175.13 3m4o s ALA 238 N 0.57 2.63 -0.00 5.51 0.00 -0.90 -0.19 121.76 129.38 3m4o s ALA 238 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3m4o s ALA 238 Cb -0.04 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.91 3m4o s ALA 238 CO -0.03 0.30 0.00 -2.00 0.00 0.00 0.00 175.76 174.03 3m4o s GLU 239 N 0.17 0.02 -0.09 0.00 2.12 0.10 0.11 118.70 121.14 3m4o s GLU 239 Ca -0.07 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.29 3m4o s GLU 239 Cb -0.15 -0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.18 3m4o s GLU 239 CO 0.05 -0.03 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.17 3m4o s ILE 240 N 0.23 0.86 -0.77 -3.70 2.07 -1.05 -1.99 121.20 116.85 3m4o s ILE 240 Ca -0.02 -0.23 -0.21 0.00 -1.41 0.00 0.00 60.65 58.77 3m4o s ILE 240 Cb -0.03 -0.88 0.09 0.00 0.13 0.00 0.00 42.46 41.76 3m4o s ILE 240 CO -0.01 0.33 1.05 -0.13 -1.91 0.00 0.00 174.94 174.27 3m4o s ARG 241 N 1.41 3.29 -0.39 3.50 0.52 -1.26 -3.06 118.95 122.96 3m4o s ARG 241 Ca -0.02 -1.13 -0.16 0.00 -0.52 0.00 0.00 55.73 53.91 3m4o s ARG 241 Cb -0.13 -4.51 0.01 0.00 0.52 0.00 0.00 34.95 30.83 3m4o s ARG 241 CO -0.04 -1.83 0.36 -1.54 0.02 0.00 0.00 175.30 172.27 3m4o s SER 242 N 3.75 6.15 0.03 0.23 1.04 -1.01 0.19 113.70 124.08 3m4o s SER 242 Ca 0.27 -0.60 -0.00 0.00 0.48 0.00 0.00 55.95 56.10 3m4o s SER 242 Cb -0.12 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.79 3m4o s SER 242 CO 0.03 -0.45 -0.03 0.00 0.98 0.00 0.00 173.24 173.77 3m4o s ALA 243 N 1.95 0.19 -0.43 5.32 0.00 -1.26 -3.36 121.76 124.17 3m4o s ALA 243 Ca 0.10 -0.70 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 3m4o s ALA 243 Cb -0.17 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.14 3m4o s ALA 243 CO 0.12 -0.20 0.66 -0.51 0.00 0.00 0.00 175.76 175.83 3m4o s LEU 244 N -1.72 4.45 0.47 0.00 1.43 -1.26 -4.73 118.68 117.33 3m4o s LEU 244 Ca -0.12 -0.28 0.19 0.00 -1.03 0.00 0.00 54.13 52.90 3m4o s LEU 244 Cb -0.07 -2.76 1.20 0.00 0.03 0.00 0.00 46.19 44.59 3m4o s LEU 244 CO -0.03 -0.78 1.97 -0.08 0.23 0.00 0.00 176.35 177.65 3m4o h GLU 245 N 8.86 0.23 -2.29 1.70 4.22 -1.99 -2.87 114.58 122.44 3m4o h GLU 245 Ca -0.25 -0.01 -0.63 0.00 0.08 0.00 0.00 59.36 58.55 3m4o h GLU 245 Cb 1.10 -0.05 -0.40 0.00 0.50 0.00 0.00 28.75 29.90 3m4o h GLU 245 CO 0.90 0.15 -0.39 0.36 -2.18 0.00 0.00 179.01 177.85 3m4o n LYS 246 N -4.43 3.17 0.00 1.92 2.85 -1.26 -5.00 118.16 115.41 3m4o n LYS 246 Ca 0.11 -4.75 0.00 0.00 -1.05 0.00 0.00 58.31 52.63 3m4o n LYS 246 Cb 0.53 -2.29 0.00 0.00 -0.65 0.00 0.00 35.03 32.62 3m4o n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3m4o n GLY 247 N 0.38 1.94 4.05 2.58 0.00 -1.08 -5.10 105.19 107.96 3m4o n GLY 247 Ca 0.31 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3m4o n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m4o n SER 248 N 0.00 0.00 -0.05 1.61 2.88 -1.26 -4.46 113.62 112.34 3m4o n SER 248 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3m4o n SER 248 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3m4o n SER 248 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3m4o n ARG 249 N 0.00 0.00 -2.14 -1.46 3.00 -1.26 -5.07 116.66 109.72 3m4o n ARG 249 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 3m4o n ARG 249 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 32.46 32.28 3m4o n ARG 249 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3m4o s PHE 250 N -1.18 1.93 -1.14 -0.14 0.08 -1.26 -4.96 117.98 111.31 3m4o s PHE 250 Ca 0.00 0.38 -0.08 0.00 0.12 0.00 0.00 56.93 57.35 3m4o s PHE 250 Cb 0.00 -4.17 0.26 0.00 -0.57 0.00 0.00 43.02 38.54 3m4o s PHE 250 CO 0.00 -1.82 1.43 -0.89 -0.10 0.00 0.00 175.22 173.83 3m4o n ILE 251 N 7.64 4.79 -2.81 0.64 2.08 -1.26 -4.46 119.36 125.98 3m4o n ILE 251 Ca 0.37 -5.35 -0.40 0.00 0.56 0.00 0.00 62.75 57.92 3m4o n ILE 251 Cb 0.48 -2.34 -0.05 0.00 -0.75 0.00 0.00 39.64 36.98 3m4o n ILE 251 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3m4o s SER 252 N 0.25 7.46 -0.14 4.38 0.15 -1.21 -4.97 113.70 119.61 3m4o s SER 252 Ca 0.34 1.74 -0.00 0.00 0.70 0.00 0.00 55.95 58.73 3m4o s SER 252 Cb -0.00 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3m4o s SER 252 CO 0.02 0.02 -0.09 0.42 1.20 0.00 0.00 173.24 174.81 3m4o s THR 253 N -0.34 1.25 -0.02 6.45 -4.23 -1.26 -2.40 115.64 115.09 3m4o s THR 253 Ca 0.43 -0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 60.26 3m4o s THR 253 Cb -0.23 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.27 3m4o s THR 253 CO 0.29 0.32 0.43 -0.22 -0.54 0.00 0.00 174.62 174.89 3m4o s LEU 254 N 1.60 4.43 0.02 4.79 2.96 -1.17 -4.80 118.68 126.51 3m4o s LEU 254 Ca 0.03 0.94 0.07 0.00 -0.22 0.00 0.00 54.13 54.95 3m4o s LEU 254 Cb -0.14 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 3m4o s LEU 254 CO -0.09 0.25 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.91 3m4o s GLN 255 N -0.71 2.15 -0.65 1.98 -0.21 -1.26 -2.54 119.66 118.42 3m4o s GLN 255 Ca 0.24 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.74 3m4o s GLN 255 Cb -0.16 -2.20 0.16 0.00 1.00 0.00 0.00 33.01 31.80 3m4o s GLN 255 CO 0.13 0.56 0.43 0.08 -2.12 0.00 0.00 175.29 174.37 3m4o s VAL 256 N -0.85 2.89 -0.15 1.09 1.01 0.12 -2.03 120.40 122.47 3m4o s VAL 256 Ca 0.13 -3.93 -0.28 0.00 0.00 0.00 0.00 61.98 57.90 3m4o s VAL 256 Cb -0.10 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3m4o s VAL 256 CO 0.03 -0.94 0.95 -0.54 0.00 0.00 0.00 175.10 174.60 3m4o s LYS 257 N -1.05 4.34 -0.69 2.72 1.02 -0.48 -2.11 119.74 123.48 3m4o s LYS 257 Ca 0.22 1.24 -0.23 0.00 0.02 0.00 0.00 55.97 57.23 3m4o s LYS 257 Cb -0.12 -3.57 0.07 0.00 -0.52 0.00 0.00 37.83 33.69 3m4o s LYS 257 CO -0.11 -0.38 1.02 -1.17 -0.92 0.00 0.00 175.35 173.80 3m4o s LEU 258 N 2.29 4.26 0.43 3.17 2.96 -1.10 -2.02 118.68 128.67 3m4o s LEU 258 Ca 0.44 -1.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.11 3m4o s LEU 258 Cb -0.17 -2.44 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 3m4o s LEU 258 CO 0.14 -1.47 1.20 -0.31 -1.32 0.00 0.00 176.35 174.58 3m4o s TYR 259 N 4.21 2.91 0.00 5.38 1.51 -0.11 -1.56 117.35 129.68 3m4o s TYR 259 Ca 0.25 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.82 3m4o s TYR 259 Cb -0.15 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.26 3m4o s TYR 259 CO 0.09 -1.59 0.00 0.41 -1.11 0.00 0.00 175.55 173.35 3m4o n GLY 260 N 0.56 -1.74 0.00 0.71 0.00 0.95 -3.20 105.19 102.47 3m4o n GLY 260 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3m4o n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4o n ARG 261 N 1.10 -0.54 -2.21 1.61 1.74 -1.26 -4.40 116.66 112.70 3m4o n ARG 261 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 3m4o n ARG 261 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3m4o n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3m4o s GLU 262 N -2.40 4.31 0.00 5.56 2.12 -1.26 -3.02 118.70 124.01 3m4o s GLU 262 Ca 0.00 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.34 3m4o s GLU 262 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3m4o s GLU 262 CO 0.00 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 3m4o n GLY 263 N 3.55 2.08 0.00 -1.50 0.00 -1.26 -4.99 105.19 103.07 3m4o n GLY 263 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3m4o n GLY 263 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m4o n SER 264 N 3.72 0.00 -4.52 1.61 2.88 -1.17 -4.43 113.62 111.71 3m4o n SER 264 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 3m4o n SER 264 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 3m4o n SER 264 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3m4o n SER 265 N 0.00 2.42 -1.94 -3.46 3.41 -1.26 -4.03 113.62 108.76 3m4o n SER 265 Ca 0.00 0.16 -0.00 0.00 -0.26 0.00 0.00 58.87 58.77 3m4o n SER 265 Cb 0.00 -1.39 -0.00 0.00 -0.26 0.00 0.00 64.21 62.55 3m4o n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m4o n ALA 266 N 11.59 -3.18 -2.30 7.33 0.00 -1.26 -4.91 120.51 127.77 3m4o n ALA 266 Ca 0.38 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.69 3m4o n ALA 266 Cb 0.34 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 3m4o n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m4o s ARG 267 N -0.60 3.09 0.31 0.00 0.52 -1.26 -4.82 118.95 116.20 3m4o s ARG 267 Ca -0.00 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.05 3m4o s ARG 267 Cb 0.00 -5.24 -0.10 0.00 0.52 0.00 0.00 34.95 30.13 3m4o s ARG 267 CO 0.28 -2.87 1.18 -0.08 0.02 0.00 0.00 175.30 173.84 3m4o s THR 268 N 7.61 3.16 -0.26 0.02 -1.32 -1.19 -4.73 115.64 118.92 3m4o s THR 268 Ca 0.59 1.15 -0.06 0.00 -1.21 0.00 0.00 61.69 62.15 3m4o s THR 268 Cb -0.02 -3.72 -0.01 0.00 -1.51 0.00 0.00 72.50 67.23 3m4o s THR 268 CO -0.02 0.26 0.05 -0.63 -2.21 0.00 0.00 174.62 172.07 3m4o s ILE 269 N -1.18 3.97 0.32 5.08 1.01 -1.26 -0.93 121.20 128.20 3m4o s ILE 269 Ca 0.47 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.74 3m4o s ILE 269 Cb -0.35 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 3m4o s ILE 269 CO 0.45 0.25 -0.05 -0.54 0.00 0.00 0.00 174.94 175.06 3m4o s LYS 270 N 1.54 1.70 0.20 2.79 1.02 -0.86 -2.90 119.74 123.24 3m4o s LYS 270 Ca 0.05 -1.89 0.02 0.00 0.02 0.00 0.00 55.97 54.17 3m4o s LYS 270 Cb -0.16 -1.36 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 3m4o s LYS 270 CO 0.02 0.03 0.01 0.00 -0.92 0.00 0.00 175.35 174.49 3m4o s ALA 271 N -2.88 1.54 -0.10 5.17 0.00 0.86 -1.39 121.76 124.97 3m4o s ALA 271 Ca 0.32 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.61 3m4o s ALA 271 Cb 0.05 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 3m4o s ALA 271 CO 0.15 -0.32 -0.15 0.99 0.00 0.00 0.00 175.76 176.43 3m4o s THR 272 N -3.60 2.94 -0.07 0.00 2.01 -0.86 -1.22 115.64 114.83 3m4o s THR 272 Ca 0.27 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.58 3m4o s THR 272 Cb 0.06 -2.19 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3m4o s THR 272 CO 0.07 0.55 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.62 3m4o s LEU 273 N -0.00 1.83 -0.47 4.42 1.43 -1.26 -4.02 118.68 120.61 3m4o s LEU 273 Ca -0.04 -0.39 -0.43 0.00 -1.03 0.00 0.00 54.13 52.24 3m4o s LEU 273 Cb -0.14 -1.03 -0.18 0.00 0.03 0.00 0.00 46.19 44.86 3m4o s LEU 273 CO 0.04 0.09 1.67 -2.65 0.23 0.00 0.00 176.35 175.74 3m4o n PRO 274 N 3.60 0.00 -4.05 1.29 -0.02 -1.26 -0.96 135.00 133.60 3m4o n PRO 274 Ca -0.21 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.94 3m4o n PRO 274 Cb 0.52 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 3m4o n PRO 274 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3m4o n TYR 275 N 4.91 -1.55 -4.56 6.00 4.11 -1.26 -5.01 117.16 119.80 3m4o n TYR 275 Ca 0.37 0.63 -0.33 0.00 -0.00 0.00 0.00 57.90 58.56 3m4o n TYR 275 Cb -0.05 -2.34 -0.11 0.00 -0.00 0.00 0.00 39.34 36.84 3m4o n TYR 275 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3m4o s ILE 276 N -3.09 3.72 -0.61 -3.48 1.01 -0.14 -5.05 121.20 113.57 3m4o s ILE 276 Ca 0.66 -0.57 0.24 0.00 0.00 0.00 0.00 60.65 60.98 3m4o s ILE 276 Cb -0.37 -2.56 0.25 0.00 0.01 0.00 0.00 42.46 39.79 3m4o s ILE 276 CO 0.81 0.53 1.72 0.29 0.00 0.00 0.00 174.94 178.28 3m4o n LYS 277 N 1.98 0.19 -3.28 2.79 4.01 -1.26 -4.69 118.16 117.90 3m4o n LYS 277 Ca -0.17 0.34 -0.11 0.00 -0.51 0.00 0.00 58.31 57.86 3m4o n LYS 277 Cb 0.53 -1.81 -0.04 0.00 -0.51 0.00 0.00 35.03 33.20 3m4o n LYS 277 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3m4o n GLN 278 N -2.15 0.32 -3.35 1.97 7.27 -1.26 -5.15 117.38 115.03 3m4o n GLN 278 Ca 0.03 -1.96 -0.32 0.00 0.07 0.00 0.00 57.00 54.83 3m4o n GLN 278 Cb 0.28 1.70 -0.06 0.00 2.41 0.00 0.00 30.24 34.57 3m4o n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3m4o s ASP 279 N -2.42 6.66 -0.08 1.69 1.01 -1.26 -4.47 116.67 117.80 3m4o s ASP 279 Ca 0.22 1.00 0.04 0.00 0.71 0.00 0.00 52.55 54.53 3m4o s ASP 279 Cb 0.01 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.68 3m4o s ASP 279 CO 0.16 -0.10 -0.21 -0.63 0.21 0.00 0.00 175.17 174.60 3m4o s ILE 280 N -1.86 1.79 0.57 0.77 -1.09 -0.36 -4.87 121.20 116.16 3m4o s ILE 280 Ca 0.49 -0.87 -0.21 0.00 -2.23 0.00 0.00 60.65 57.83 3m4o s ILE 280 Cb -0.11 -1.56 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 3m4o s ILE 280 CO 0.20 0.50 1.35 -2.65 -1.23 0.00 0.00 174.94 173.11 3m4o n PRO 281 N 3.51 1.56 0.17 2.79 -0.02 -1.26 -0.10 135.00 141.65 3m4o n PRO 281 Ca -0.20 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 3m4o n PRO 281 Cb 0.53 -2.57 0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3m4o n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3m4o h ILE 282 N 1.21 0.59 0.00 4.25 -0.00 -1.87 -2.76 117.51 118.93 3m4o h ILE 282 Ca -0.51 -1.76 -0.02 0.00 -0.00 0.00 0.00 64.86 62.58 3m4o h ILE 282 Cb 1.31 2.23 -0.00 0.00 -0.00 0.00 0.00 36.82 40.36 3m4o h ILE 282 CO 0.56 0.32 -0.09 -0.37 -0.00 0.00 0.00 178.15 178.57 3m4o h VAL 283 N 0.00 0.67 0.01 0.16 -1.51 -1.90 0.46 116.25 114.15 3m4o h VAL 283 Ca -0.00 -0.38 -0.24 0.00 -1.23 0.00 0.00 66.70 64.85 3m4o h VAL 283 Cb 1.21 1.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.57 3m4o h VAL 283 CO 0.04 0.09 -1.20 0.40 -1.23 0.00 0.00 177.57 175.67 3m4o h ILE 284 N 0.00 1.48 -0.37 7.19 1.08 -1.84 -2.60 117.51 122.45 3m4o h ILE 284 Ca -0.00 -3.21 -0.09 0.00 -0.39 0.00 0.00 64.86 61.17 3m4o h ILE 284 Cb 0.23 2.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 3m4o h ILE 284 CO 0.01 0.85 -0.13 0.40 -0.69 0.00 0.00 178.15 178.59 3m4o h ILE 285 N 0.01 1.28 -0.41 -0.67 1.08 -1.15 0.93 117.51 118.58 3m4o h ILE 285 Ca -0.09 -1.23 -0.09 0.00 -0.39 0.00 0.00 64.86 63.06 3m4o h ILE 285 Cb 1.85 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 3m4o h ILE 285 CO 0.12 0.41 -0.08 -0.26 -0.69 0.00 0.00 178.15 177.65 3m4o h PHE 286 N 0.53 0.87 0.00 1.37 0.05 -1.06 -2.46 116.94 116.24 3m4o h PHE 286 Ca 0.09 -0.18 -0.02 0.00 3.82 0.00 0.00 57.97 61.68 3m4o h PHE 286 Cb 0.66 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 38.39 3m4o h PHE 286 CO 0.05 0.89 -0.09 -0.09 -0.18 0.00 0.00 178.31 178.89 3m4o h ARG 287 N 0.59 0.00 0.00 1.51 2.43 -0.95 0.06 114.38 118.03 3m4o h ARG 287 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3m4o h ARG 287 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3m4o h ARG 287 CO 0.04 0.09 -0.46 0.00 -1.51 0.00 0.00 179.97 178.12 3m4o n ALA 288 N -2.26 3.27 0.12 2.80 0.00 0.31 -3.89 120.51 120.86 3m4o n ALA 288 Ca -0.02 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.24 3m4o n ALA 288 Cb 0.21 -1.17 0.24 0.00 0.00 0.00 0.00 19.45 18.73 3m4o n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m4o n LEU 289 N -1.63 3.60 0.00 0.00 4.77 -0.07 -4.84 117.00 118.83 3m4o n LEU 289 Ca 0.05 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 3m4o n LEU 289 Cb 0.36 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3m4o n LEU 289 CO 0.34 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3m4o n GLY 290 N 1.53 3.06 3.59 -0.72 0.00 -1.02 -4.66 105.19 106.97 3m4o n GLY 290 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3m4o n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m4o s ILE 291 N -2.75 3.98 -0.24 -0.61 1.09 -0.73 -4.91 121.20 117.01 3m4o s ILE 291 Ca 0.00 0.94 -0.16 0.00 -1.10 0.00 0.00 60.65 60.33 3m4o s ILE 291 Cb 0.00 -4.47 -0.16 0.00 -1.06 0.00 0.00 42.46 36.77 3m4o s ILE 291 CO 0.00 -1.04 -0.09 -0.38 -0.10 0.00 0.00 174.94 173.33 3m4o n ILE 292 N 6.89 1.54 -3.87 2.92 2.08 -1.26 -1.84 119.36 125.83 3m4o n ILE 292 Ca 0.13 -0.27 -0.36 0.00 0.56 0.00 0.00 62.75 62.81 3m4o n ILE 292 Cb 0.49 -1.91 -0.06 0.00 -0.75 0.00 0.00 39.64 37.41 3m4o n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3m4o s PRO 293 N -2.45 3.46 -0.31 0.38 0.04 -1.26 -4.84 135.00 130.02 3m4o s PRO 293 Ca -0.34 -0.15 -0.38 0.00 0.04 0.00 0.00 61.00 60.16 3m4o s PRO 293 Cb 0.11 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.34 3m4o s PRO 293 CO 0.55 0.75 1.94 -0.25 0.04 0.00 0.00 177.00 180.02 3m4o n ASP 294 N 1.72 2.26 0.00 6.66 10.43 -1.26 -2.11 116.55 134.24 3m4o n ASP 294 Ca -0.17 0.82 0.00 0.00 2.57 0.00 0.00 54.79 58.00 3m4o n ASP 294 Cb 0.54 -1.18 0.00 0.00 1.84 0.00 0.00 41.12 42.32 3m4o n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m4o n GLY 295 N 5.26 0.52 0.07 0.44 0.00 -1.26 -4.72 105.19 105.51 3m4o n GLY 295 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 3m4o n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3m4o h GLU 296 N 0.00 0.00 -0.49 1.61 4.81 -1.85 -3.18 114.58 115.48 3m4o h GLU 296 Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3m4o h GLU 296 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3m4o h GLU 296 CO 0.00 0.71 0.22 0.82 -0.73 0.00 0.00 179.01 180.03 3m4o h ILE 297 N 0.00 0.92 0.00 2.32 1.08 -1.74 -2.38 117.51 117.71 3m4o h ILE 297 Ca -0.16 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3m4o h ILE 297 Cb 1.90 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 3m4o h ILE 297 CO 0.10 0.08 0.00 -0.07 -0.69 0.00 0.00 178.15 177.57 3m4o h LEU 298 N 0.44 0.00 -1.92 1.44 3.38 -1.87 -2.83 115.31 113.95 3m4o h LEU 298 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3m4o h LEU 298 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m4o h LEU 298 CO -0.18 0.00 -0.12 -0.33 0.09 0.00 0.00 178.44 177.90 3m4o h GLU 299 N 0.00 0.00 0.00 1.13 4.39 -1.40 0.57 114.58 119.26 3m4o h GLU 299 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 3m4o h GLU 299 Cb 0.75 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 3m4o h GLU 299 CO 0.00 0.12 -1.28 0.45 -1.16 0.00 0.00 179.01 177.14 3m4o h HIS 300 N 0.00 0.00 0.00 4.33 3.86 -1.49 -3.42 115.15 118.43 3m4o h HIS 300 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m4o h HIS 300 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3m4o h HIS 300 CO 0.00 0.59 -0.47 -0.89 0.86 0.00 0.00 177.93 178.01 3m4o n ILE 301 N -2.95 0.83 -3.20 2.45 5.41 -1.03 -3.81 119.36 117.05 3m4o n ILE 301 Ca -0.08 0.31 -0.45 0.00 1.00 0.00 0.00 62.75 63.54 3m4o n ILE 301 Cb 0.83 -1.98 -0.06 0.00 -0.71 0.00 0.00 39.64 37.72 3m4o n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m4o h TYR 303 N 9.02 0.30 -3.54 0.00 0.99 -1.84 -3.42 116.97 118.47 3m4o h TYR 303 Ca -0.29 -0.13 -0.65 0.00 2.00 0.00 0.00 58.73 59.66 3m4o h TYR 303 Cb 1.09 -0.05 -0.23 0.00 1.00 0.00 0.00 36.73 38.54 3m4o h TYR 303 CO 0.76 0.84 -0.65 0.34 -0.00 0.00 0.00 178.16 179.45 3m4o s ASP 304 N -6.91 4.93 0.00 3.88 2.15 -1.26 -4.58 116.67 114.88 3m4o s ASP 304 Ca -0.04 -0.23 0.29 0.00 0.43 0.00 0.00 52.55 53.01 3m4o s ASP 304 Cb 0.11 -1.87 1.36 0.00 -0.30 0.00 0.00 42.92 42.22 3m4o s ASP 304 CO 0.81 -0.01 1.95 1.33 -0.17 0.00 0.00 175.17 179.08 3m4o n VAL 305 N 4.72 0.00 0.29 1.11 0.24 -1.26 -2.36 118.33 121.07 3m4o n VAL 305 Ca -0.17 -0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.23 3m4o n VAL 305 Cb 0.51 -0.32 0.06 0.00 -1.47 0.00 0.00 33.84 32.63 3m4o n VAL 305 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3m4o h ASN 306 N 0.22 0.00 0.00 -1.34 2.35 -1.98 -3.41 115.58 111.42 3m4o h ASN 306 Ca 0.00 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.47 3m4o h ASN 306 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3m4o h ASN 306 CO 0.00 0.05 1.06 -0.67 -1.65 0.00 0.00 177.43 176.21 3m4o n ASP 307 N -2.47 3.28 -0.57 5.81 2.03 -0.99 -4.60 116.55 119.03 3m4o n ASP 307 Ca 0.01 -2.10 0.46 0.00 0.52 0.00 0.00 54.79 53.68 3m4o n ASP 307 Cb 0.51 -0.83 0.75 0.00 -0.72 0.00 0.00 41.12 40.83 3m4o n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3m4o h TRP 308 N 5.39 0.25 -0.36 -0.67 5.08 -1.84 -1.97 115.95 121.84 3m4o h TRP 308 Ca 0.23 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 60.19 3m4o h TRP 308 Cb 0.48 -0.06 -0.02 0.00 -3.00 0.00 0.00 29.16 26.57 3m4o h TRP 308 CO 1.63 -0.12 0.12 1.96 -1.28 0.00 0.00 178.44 180.75 3m4o h GLN 309 N 0.02 0.55 0.16 0.12 4.20 -1.98 0.66 115.11 118.84 3m4o h GLN 309 Ca 0.88 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 59.49 3m4o h GLN 309 Cb 3.21 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 30.88 3m4o h GLN 309 CO -0.22 0.56 -0.22 1.98 -0.67 0.00 0.00 178.83 180.25 3m4o h MET 310 N 0.42 -0.43 0.45 1.46 4.05 -1.76 -3.03 114.93 116.10 3m4o h MET 310 Ca 0.12 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3m4o h MET 310 Cb 0.23 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3m4o h MET 310 CO -0.01 -0.28 -0.28 -0.07 0.23 0.00 0.00 176.91 176.50 3m4o h LEU 311 N -0.44 -0.71 -1.30 3.39 3.38 -1.23 -0.28 115.31 118.11 3m4o h LEU 311 Ca 0.01 0.04 0.38 0.00 0.09 0.00 0.00 57.88 58.41 3m4o h LEU 311 Cb 0.44 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 3m4o h LEU 311 CO -0.09 -0.44 0.75 -0.08 0.09 0.00 0.00 178.44 178.66 3m4o h GLU 312 N -0.70 0.17 -0.03 1.13 4.57 0.22 1.38 114.58 121.31 3m4o h GLU 312 Ca -0.05 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3m4o h GLU 312 Cb 0.58 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3m4o h GLU 312 CO 0.05 0.11 -0.44 0.52 -1.18 0.00 0.00 179.01 178.07 3m4o h MET 313 N 0.18 0.06 0.00 1.92 2.86 -0.93 -2.89 114.93 116.13 3m4o h MET 313 Ca 0.77 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.38 3m4o h MET 313 Cb 2.20 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.86 3m4o h MET 313 CO -0.45 0.50 -0.65 -0.07 1.06 0.00 0.00 176.91 177.29 3m4o h LEU 314 N 0.05 0.00 -1.99 1.22 3.38 0.23 -3.38 115.31 114.82 3m4o h LEU 314 Ca 0.00 -0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.00 3m4o h LEU 314 Cb 0.81 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3m4o h LEU 314 CO 0.06 0.09 0.54 0.11 0.09 0.00 0.00 178.44 179.33 3m4o h LYS 315 N 0.00 0.00 0.00 1.13 1.57 -0.94 0.24 116.57 118.58 3m4o h LYS 315 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m4o h LYS 315 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3m4o h LYS 315 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 179.45 177.88 3m4o h PRO 316 N 0.00 0.00 0.15 3.15 0.13 -1.77 -3.23 132.00 130.43 3m4o h PRO 316 Ca 0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.46 3m4o h PRO 316 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 3m4o h PRO 316 CO -0.00 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 177.70 3m4o n VAL 318 N -3.35 -0.23 0.25 0.00 0.31 -1.18 0.69 118.33 114.82 3m4o n VAL 318 Ca -0.02 0.91 0.12 0.00 -0.01 0.00 0.00 64.34 65.33 3m4o n VAL 318 Cb 0.08 -1.16 0.65 0.00 -0.91 0.00 0.00 33.84 32.51 3m4o n VAL 318 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3m4o h GLU 319 N 0.00 0.00 0.08 5.55 5.08 -1.64 0.02 114.58 123.66 3m4o h GLU 319 Ca 0.09 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.19 3m4o h GLU 319 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3m4o h GLU 319 CO -0.37 0.15 -1.13 0.22 -1.00 0.00 0.00 179.01 176.88 3m4o h ASP 320 N 0.00 0.64 -0.36 1.42 3.58 0.59 -3.38 116.42 118.91 3m4o h ASP 320 Ca -0.00 -0.58 -0.15 0.00 0.42 0.00 0.00 57.03 56.72 3m4o h ASP 320 Cb 0.45 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3m4o h ASP 320 CO 0.02 1.41 -0.34 1.23 -2.88 0.00 0.00 179.24 178.68 3m4o h GLY 321 N 0.96 0.95 -4.55 -0.78 0.00 0.16 -3.36 103.07 96.45 3m4o h GLY 321 Ca -0.14 -0.96 -0.44 0.00 0.00 0.00 0.00 47.33 45.80 3m4o h GLY 321 CO 0.20 0.87 1.25 1.97 0.00 0.00 0.00 176.54 180.83 3m4o n PHE 322 N -4.13 1.23 -0.05 5.60 1.16 -0.45 -1.32 117.46 119.51 3m4o n PHE 322 Ca -0.03 -2.17 0.02 0.00 -1.87 0.00 0.00 57.45 53.40 3m4o n PHE 322 Cb 0.52 -1.84 -0.16 0.00 -1.61 0.00 0.00 39.48 36.38 3m4o n PHE 322 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3m4o n VAL 323 N 2.45 0.56 -5.12 1.97 0.31 -1.26 -4.96 118.33 112.28 3m4o n VAL 323 Ca 0.56 -0.62 -0.32 0.00 -0.01 0.00 0.00 64.34 63.95 3m4o n VAL 323 Cb 0.59 -0.19 -0.16 0.00 -0.91 0.00 0.00 33.84 33.17 3m4o n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m4o s ILE 324 N -3.03 2.31 0.00 2.52 1.01 -0.43 -5.03 121.20 118.55 3m4o s ILE 324 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3m4o s ILE 324 Cb 0.10 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3m4o s ILE 324 CO 0.83 0.56 0.47 1.67 0.00 0.00 0.00 174.94 178.46 3m4o n GLN 325 N 3.37 0.38 -3.91 2.79 -0.06 -1.26 -4.98 117.38 113.71 3m4o n GLN 325 Ca -0.18 -0.58 -0.10 0.00 -2.00 0.00 0.00 57.00 54.14 3m4o n GLN 325 Cb 0.53 -0.75 -0.09 0.00 -4.06 0.00 0.00 30.24 25.87 3m4o n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3m4o s ASP 326 N -0.22 0.15 0.13 1.69 -4.77 -1.26 -4.96 116.67 107.43 3m4o s ASP 326 Ca 0.00 -0.48 -0.23 0.00 -3.30 0.00 0.00 52.55 48.54 3m4o s ASP 326 Cb 0.00 0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 42.03 3m4o s ASP 326 CO 0.00 -0.49 1.22 0.54 0.70 0.00 0.00 175.17 177.14 3m4o n ARG 327 N 0.87 -0.33 0.25 2.11 1.74 -1.25 -1.96 116.66 118.08 3m4o n ARG 327 Ca -0.20 1.20 0.15 0.00 -0.77 0.00 0.00 57.85 58.24 3m4o n ARG 327 Cb 0.58 -1.77 0.49 0.00 -1.02 0.00 0.00 32.46 30.75 3m4o n ARG 327 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3m4o h GLU 328 N 0.00 0.00 -0.09 5.56 3.07 -1.97 -2.33 114.58 118.83 3m4o h GLU 328 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3m4o h GLU 328 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3m4o h GLU 328 CO -0.75 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.11 3m4o n THR 329 N -3.04 0.17 0.08 1.13 -2.24 -1.02 -3.82 114.28 105.54 3m4o n THR 329 Ca 0.02 -0.59 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 3m4o n THR 329 Cb 0.38 1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 69.63 3m4o n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m4o h ALA 330 N 2.74 0.16 0.00 6.98 0.00 -0.84 -3.19 119.26 125.11 3m4o h ALA 330 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3m4o h ALA 330 Cb 0.62 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3m4o h ALA 330 CO 0.00 1.02 0.00 -0.07 0.00 0.00 0.00 179.25 180.20 3m4o h LEU 331 N 0.10 0.00 -0.05 0.00 4.07 -1.66 -3.25 115.31 114.52 3m4o h LEU 331 Ca -0.28 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 3m4o h LEU 331 Cb 2.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.81 3m4o h LEU 331 CO 0.19 0.00 -0.10 -0.78 -1.08 0.00 0.00 178.44 176.67 3m4o h ASP 332 N 0.00 0.18 0.19 -0.43 3.58 -1.65 -3.06 116.42 115.23 3m4o h ASP 332 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 3m4o h ASP 332 Cb 0.27 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.27 3m4o h ASP 332 CO 0.00 0.70 0.00 0.33 -2.88 0.00 0.00 179.24 177.39 3m4o n PHE 333 N -4.67 0.61 -2.83 0.28 7.35 -1.23 -3.76 117.46 113.22 3m4o n PHE 333 Ca -0.08 0.30 -0.43 0.00 -0.76 0.00 0.00 57.45 56.48 3m4o n PHE 333 Cb 0.34 -0.97 -0.04 0.00 0.35 0.00 0.00 39.48 39.16 3m4o n PHE 333 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3m4o s ILE 334 N -3.39 4.42 -0.97 -2.13 1.01 -1.16 -5.12 121.20 113.86 3m4o s ILE 334 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3m4o s ILE 334 Cb 0.06 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 38.03 3m4o s ILE 334 CO 0.22 -1.00 0.00 0.61 0.00 0.00 0.00 174.94 174.76 3m4o n GLY 335 N 5.05 -0.20 0.28 6.18 0.00 -1.25 -4.62 105.19 110.63 3m4o n GLY 335 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 3m4o n GLY 335 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4o n LYS 345 N 0.00 0.44 0.00 1.61 5.02 -1.26 -4.89 118.16 119.08 3m4o n LYS 345 Ca 0.00 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 3m4o n LYS 345 Cb 0.00 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3m4o n LYS 345 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3m4o n GLU 346 N -4.22 0.13 -0.05 1.97 0.28 -1.26 0.32 120.64 117.82 3m4o n GLU 346 Ca -0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.77 3m4o n GLU 346 Cb 0.52 -1.24 -0.03 0.00 1.43 0.00 0.00 31.44 32.11 3m4o n GLU 346 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3m4o h LYS 347 N 0.00 -0.00 0.00 3.44 6.56 -2.05 -3.36 116.57 121.16 3m4o h LYS 347 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3m4o h LYS 347 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3m4o h LYS 347 CO 0.00 0.23 0.00 2.89 -2.06 0.00 0.00 179.45 180.51 3m4o n ARG 348 N -4.74 0.11 0.08 3.15 1.85 0.15 -1.91 116.66 115.35 3m4o n ARG 348 Ca -0.02 0.03 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 3m4o n ARG 348 Cb 0.11 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.96 3m4o n ARG 348 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3m4o h ILE 349 N 0.00 1.62 0.01 8.89 5.03 -1.62 -3.03 117.51 128.42 3m4o h ILE 349 Ca 0.00 -3.09 -0.20 0.00 -0.12 0.00 0.00 64.86 61.46 3m4o h ILE 349 Cb 0.41 2.71 -0.02 0.00 -3.03 0.00 0.00 36.82 36.90 3m4o h ILE 349 CO 0.00 0.89 -0.91 1.56 -0.68 0.00 0.00 178.15 179.00 3m4o h GLN 350 N 0.03 0.09 -0.12 2.37 1.08 -1.53 -2.29 115.11 114.75 3m4o h GLN 350 Ca -0.03 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3m4o h GLN 350 Cb 1.67 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 3m4o h GLN 350 CO 0.13 0.94 0.08 -0.92 -0.95 0.00 0.00 178.83 178.11 3m4o h TYR 351 N 0.05 0.15 0.00 2.96 3.20 -1.49 -2.37 116.97 119.46 3m4o h TYR 351 Ca -0.03 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.78 3m4o h TYR 351 Cb 1.58 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 3m4o h TYR 351 CO 0.02 0.10 -0.30 0.00 -1.64 0.00 0.00 178.16 176.34 3m4o h ALA 352 N 1.04 1.18 0.00 1.82 0.00 -1.53 -2.85 119.26 118.92 3m4o h ALA 352 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3m4o h ALA 352 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3m4o h ALA 352 CO -0.01 0.37 -0.49 1.17 0.00 0.00 0.00 179.25 180.30 3m4o n LYS 353 N -3.72 0.11 -0.08 0.00 4.81 -0.86 -2.92 118.16 115.50 3m4o n LYS 353 Ca -0.01 0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 3m4o n LYS 353 Cb 0.40 -1.57 -0.12 0.00 0.02 0.00 0.00 35.03 33.77 3m4o n LYS 353 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3m4o h ASP 354 N 0.00 0.00 0.14 3.14 3.32 -1.22 -3.36 116.42 118.44 3m4o h ASP 354 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 57.03 56.24 3m4o h ASP 354 Cb 0.59 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3m4o h ASP 354 CO 0.00 1.10 -0.09 0.40 -1.72 0.00 0.00 179.24 178.94 3m4o h ILE 355 N -1.00 0.84 -0.06 0.35 2.04 -1.59 1.65 117.51 119.74 3m4o h ILE 355 Ca -0.09 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3m4o h ILE 355 Cb 1.02 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3m4o h ILE 355 CO -0.06 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.36 3m4o n LEU 356 N -4.12 0.94 0.00 1.44 4.77 -1.15 -0.93 117.00 117.96 3m4o n LEU 356 Ca -0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3m4o n LEU 356 Cb 0.17 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3m4o n LEU 356 CO 0.32 0.18 -0.46 0.00 -1.33 0.00 0.00 177.39 176.10 3m4o n GLN 357 N -0.20 0.36 -0.02 3.23 6.02 0.80 -4.67 117.38 122.90 3m4o n GLN 357 Ca 0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.96 3m4o n GLN 357 Cb 0.23 -0.96 -0.13 0.00 1.02 0.00 0.00 30.24 30.39 3m4o n GLN 357 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3m4o h LYS 358 N 0.00 0.19 0.00 -1.09 1.57 0.21 -3.39 116.57 114.05 3m4o h LYS 358 Ca 0.00 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 3m4o h LYS 358 Cb 0.93 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3m4o h LYS 358 CO 0.00 1.15 -1.66 0.39 -0.57 0.00 0.00 179.45 178.76 3m4o n GLU 359 N -4.03 0.64 -2.69 3.15 -0.58 -1.08 -4.55 120.64 111.50 3m4o n GLU 359 Ca -0.25 -0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 55.95 3m4o n GLU 359 Cb 0.84 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 30.36 3m4o n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3m4o s PHE 360 N -2.86 3.15 -1.12 -0.32 5.36 -0.10 -4.27 117.98 117.82 3m4o s PHE 360 Ca -0.05 1.11 -0.24 0.00 -0.96 0.00 0.00 56.93 56.78 3m4o s PHE 360 Cb 0.08 -3.63 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 3m4o s PHE 360 CO 0.56 -0.75 0.72 1.28 -1.46 0.00 0.00 175.22 175.57 3m4o n LEU 361 N 6.79 -1.60 0.28 6.12 4.32 -1.26 -4.74 117.00 126.90 3m4o n LEU 361 Ca 0.11 -1.12 0.14 0.00 -0.02 0.00 0.00 56.01 55.11 3m4o n LEU 361 Cb 0.47 -1.95 0.73 0.00 -1.62 0.00 0.00 43.42 41.05 3m4o n LEU 361 CO 0.58 0.57 1.02 -0.65 -1.22 0.00 0.00 177.39 177.70 3m4o h PRO 362 N -1.97 0.00 0.00 3.23 0.11 -1.80 -3.36 132.00 128.21 3m4o h PRO 362 Ca -0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3m4o h PRO 362 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3m4o h PRO 362 CO 0.48 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.88 3m4o n HIS 363 N -2.63 -0.01 0.00 0.65 1.44 -1.26 -3.82 115.22 109.59 3m4o n HIS 363 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 3m4o n HIS 363 Cb 0.29 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.40 3m4o n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3m4o n ILE 364 N -0.01 0.00 -3.65 0.61 2.08 -1.26 -4.36 119.36 112.77 3m4o n ILE 364 Ca 0.00 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 3m4o n ILE 364 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 3m4o n ILE 364 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3m4o s THR 365 N 0.00 0.00 -0.14 1.39 -1.32 -1.26 -5.06 115.64 109.25 3m4o s THR 365 Ca 0.00 -0.35 0.18 0.00 -1.21 0.00 0.00 61.69 60.31 3m4o s THR 365 Cb 0.00 -1.68 0.31 0.00 -1.51 0.00 0.00 72.50 69.62 3m4o s THR 365 CO 0.00 0.00 1.16 1.67 -2.21 0.00 0.00 174.62 175.24 3m4o n GLN 366 N -0.39 1.31 0.00 7.08 7.27 -1.25 -4.64 117.38 126.77 3m4o n GLN 366 Ca -0.07 -2.67 0.00 0.00 0.07 0.00 0.00 57.00 54.34 3m4o n GLN 366 Cb 0.61 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.76 3m4o n GLN 366 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3m4o n LEU 367 N -1.38 0.00 -0.00 1.69 4.77 -1.26 -4.58 117.00 116.23 3m4o n LEU 367 Ca 0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 3m4o n LEU 367 Cb 0.65 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3m4o n LEU 367 CO 0.00 0.00 -0.04 1.21 -1.33 0.00 0.00 177.39 177.23 3m4o n GLU 368 N 0.00 0.03 -0.32 3.23 2.13 -1.26 -4.74 120.64 119.72 3m4o n GLU 368 Ca 0.00 0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 3m4o n GLU 368 Cb 0.00 -0.34 0.02 0.00 0.27 0.00 0.00 31.44 31.39 3m4o n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m4o n GLY 369 N 2.46 2.58 2.77 8.31 0.00 -1.26 -4.41 105.19 115.65 3m4o n GLY 369 Ca -0.01 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3m4o n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m4o n PHE 370 N 0.48 3.37 -0.03 1.61 3.01 -1.26 -4.86 117.46 119.78 3m4o n PHE 370 Ca 0.10 -3.69 -0.21 0.00 1.01 0.00 0.00 57.45 54.65 3m4o n PHE 370 Cb 0.64 -0.90 -0.13 0.00 -0.01 0.00 0.00 39.48 39.08 3m4o n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3m4o h GLU 371 N 5.02 0.17 0.00 -1.08 3.07 -1.90 -3.33 114.58 116.52 3m4o h GLU 371 Ca 0.19 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3m4o h GLU 371 Cb 0.68 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3m4o h GLU 371 CO 0.99 1.14 -0.60 0.66 -1.40 0.00 0.00 179.01 179.79 3m4o h SER 372 N -0.46 0.00 -0.52 1.42 4.64 -1.89 -2.85 113.55 113.89 3m4o h SER 372 Ca -0.33 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 3m4o h SER 372 Cb 1.65 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.70 3m4o h SER 372 CO -0.02 0.06 0.30 0.03 -0.87 0.00 0.00 176.83 176.34 3m4o h ARG 373 N 0.00 0.58 0.04 4.77 2.47 -1.93 -0.58 114.38 119.72 3m4o h ARG 373 Ca 0.00 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 3m4o h ARG 373 Cb 0.83 -0.13 0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3m4o h ARG 373 CO 0.00 0.38 -0.93 0.87 0.56 0.00 0.00 179.97 180.85 3m4o h LYS 374 N 0.60 0.56 -0.09 0.04 1.57 -1.67 -3.26 116.57 114.32 3m4o h LYS 374 Ca 0.21 -0.65 0.04 0.00 -1.87 0.00 0.00 60.65 58.38 3m4o h LYS 374 Cb 0.05 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 3m4o h LYS 374 CO -0.11 1.26 -0.26 0.00 -0.57 0.00 0.00 179.45 179.78 3m4o h ALA 375 N 0.32 -0.28 -0.89 3.86 0.00 -1.41 -0.34 119.26 120.53 3m4o h ALA 375 Ca -0.13 0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.97 3m4o h ALA 375 Cb 1.62 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 19.82 3m4o h ALA 375 CO 0.18 -0.73 0.57 0.74 0.00 0.00 0.00 179.25 180.01 3m4o h PHE 376 N -0.34 0.72 -0.04 0.00 -1.00 -1.24 -1.15 116.94 113.88 3m4o h PHE 376 Ca 0.09 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.78 3m4o h PHE 376 Cb 0.48 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.82 3m4o h PHE 376 CO -0.34 0.24 -0.39 0.35 -1.61 0.00 0.00 178.31 176.56 3m4o h PHE 377 N 0.59 0.48 -0.29 -0.55 3.57 -1.36 -0.01 116.94 119.37 3m4o h PHE 377 Ca 0.45 -0.23 0.08 0.00 3.53 0.00 0.00 57.97 61.81 3m4o h PHE 377 Cb 0.87 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3m4o h PHE 377 CO -0.00 1.00 0.22 1.25 -2.23 0.00 0.00 178.31 178.55 3m4o h LEU 378 N -0.18 0.00 -0.48 0.59 5.85 -0.80 0.12 115.31 120.41 3m4o h LEU 378 Ca -0.04 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 3m4o h LEU 378 Cb 1.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3m4o h LEU 378 CO 0.08 0.00 -0.49 1.23 -0.34 0.00 0.00 178.44 178.91 3m4o h GLY 379 N 0.00 0.76 1.04 3.75 0.00 -0.75 -2.54 103.07 105.33 3m4o h GLY 379 Ca 0.14 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 3m4o h GLY 379 CO -0.00 0.75 0.47 -1.82 0.00 0.00 0.00 176.54 175.94 3m4o h TYR 380 N 0.54 1.24 0.07 5.60 3.20 0.12 -2.25 116.97 125.50 3m4o h TYR 380 Ca 0.02 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3m4o h TYR 380 Cb 1.05 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3m4o h TYR 380 CO 0.05 0.87 -0.03 0.52 -1.64 0.00 0.00 178.16 177.92 3m4o h MET 381 N 1.25 -0.09 -0.89 1.82 2.86 -1.10 -1.63 114.93 117.15 3m4o h MET 381 Ca 0.31 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 3m4o h MET 381 Cb 0.05 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3m4o h MET 381 CO -0.05 0.11 0.58 0.82 1.06 0.00 0.00 176.91 179.43 3m4o h ILE 382 N -0.29 1.15 -0.43 -1.22 1.08 -1.41 0.46 117.51 116.84 3m4o h ILE 382 Ca -0.01 -0.39 0.08 0.00 -0.39 0.00 0.00 64.86 64.16 3m4o h ILE 382 Cb 0.25 -0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 33.85 3m4o h ILE 382 CO 0.02 0.21 -0.01 -1.13 -0.69 0.00 0.00 178.15 176.54 3m4o h ASN 383 N 1.12 -0.20 0.36 1.72 -1.24 -1.25 -0.20 115.58 115.90 3m4o h ASN 383 Ca 0.36 0.10 -0.13 0.00 0.71 0.00 0.00 56.30 57.34 3m4o h ASN 383 Cb 0.00 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 3m4o h ASN 383 CO -0.12 -0.06 -0.54 0.03 -1.29 0.00 0.00 177.43 175.45 3m4o h ARG 384 N 0.10 0.20 -0.30 6.67 2.47 0.02 0.19 114.38 123.73 3m4o h ARG 384 Ca 0.21 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3m4o h ARG 384 Cb 0.31 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.63 3m4o h ARG 384 CO -0.36 0.70 -0.09 1.25 0.56 0.00 0.00 179.97 182.03 3m4o h LEU 385 N 0.16 0.47 0.00 3.04 5.85 0.38 -3.16 115.31 122.05 3m4o h LEU 385 Ca 0.00 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 3m4o h LEU 385 Cb 1.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3m4o h LEU 385 CO 0.08 0.60 -1.52 0.18 -0.34 0.00 0.00 178.44 177.44 3m4o n LEU 386 N -4.23 0.70 0.26 2.25 4.77 -0.14 -2.63 117.00 117.98 3m4o n LEU 386 Ca 0.01 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.45 3m4o n LEU 386 Cb 0.30 0.10 0.86 0.00 -2.33 0.00 0.00 43.42 42.34 3m4o n LEU 386 CO 0.40 0.14 1.02 -0.07 -1.33 0.00 0.00 177.39 177.54 3m4o h LEU 387 N 0.00 0.00 0.00 2.23 -0.00 -0.60 -1.61 115.31 115.33 3m4o h LEU 387 Ca -0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.43 3m4o h LEU 387 Cb 1.55 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 42.16 3m4o h LEU 387 CO 0.04 0.00 -2.06 0.00 -0.00 0.00 0.00 178.44 176.42 3m4o h ALA 389 N 0.01 1.00 -0.47 0.00 0.00 -1.23 0.30 119.26 118.86 3m4o h ALA 389 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3m4o h ALA 389 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3m4o h ALA 389 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3m4o n LEU 390 N -2.99 3.70 -4.06 0.00 4.77 -0.64 -4.96 117.00 112.83 3m4o n LEU 390 Ca 0.00 -1.87 -0.28 0.00 -0.03 0.00 0.00 56.01 53.83 3m4o n LEU 390 Cb 0.25 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3m4o n LEU 390 CO 0.25 0.61 -0.26 0.47 -1.33 0.00 0.00 177.39 177.13 3m4o n ASP 391 N 0.72 -0.41 -0.10 -1.43 9.92 0.10 -4.89 116.55 120.46 3m4o n ASP 391 Ca 0.19 -1.06 -0.20 0.00 -0.53 0.00 0.00 54.79 53.18 3m4o n ASP 391 Cb 0.71 -2.73 -0.07 0.00 -0.64 0.00 0.00 41.12 38.39 3m4o n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3m4o n ARG 392 N -4.43 0.45 -4.27 -1.24 1.74 -0.94 -5.00 116.66 102.98 3m4o n ARG 392 Ca -0.27 0.20 -0.31 0.00 -0.77 0.00 0.00 57.85 56.70 3m4o n ARG 392 Cb 0.67 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 3m4o n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3m4o s LYS 393 N -2.46 2.44 1.18 5.56 3.01 -0.02 -5.03 119.74 124.42 3m4o s LYS 393 Ca -0.29 -0.85 -0.19 0.00 -1.01 0.00 0.00 55.97 53.64 3m4o s LYS 393 Cb 0.10 -2.47 0.29 0.00 -1.01 0.00 0.00 37.83 34.75 3m4o s LYS 393 CO 0.38 0.55 0.66 -0.25 0.51 0.00 0.00 175.35 177.20 3m4o n ASP 394 N 0.95 -3.65 -4.63 2.83 8.00 -1.26 -4.12 116.55 114.68 3m4o n ASP 394 Ca -0.13 -0.67 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 3m4o n ASP 394 Cb 0.52 -0.81 0.16 0.00 -0.02 0.00 0.00 41.12 40.97 3m4o n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3m4o s GLN 395 N -4.42 0.58 -0.23 -1.24 0.74 -1.26 -4.81 119.66 109.03 3m4o s GLN 395 Ca 0.51 0.30 -0.10 0.00 0.05 0.00 0.00 55.36 56.12 3m4o s GLN 395 Cb -0.09 -1.77 -0.05 0.00 1.10 0.00 0.00 33.01 32.20 3m4o s GLN 395 CO 0.43 -2.58 0.15 -0.51 -0.55 0.00 0.00 175.29 172.23 3m4o s ASP 396 N -3.84 6.11 -0.62 6.67 1.01 -0.67 -4.98 116.67 120.34 3m4o s ASP 396 Ca 0.66 0.14 -0.27 0.00 0.71 0.00 0.00 52.55 53.79 3m4o s ASP 396 Cb -0.15 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 3m4o s ASP 396 CO 0.55 0.10 1.76 -0.62 0.21 0.00 0.00 175.17 177.17 3m4o s ASP 397 N 0.84 5.44 0.52 0.27 -1.08 -1.26 -4.89 116.67 116.52 3m4o s ASP 397 Ca 0.07 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.58 3m4o s ASP 397 Cb -0.13 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 3m4o s ASP 397 CO 0.02 -2.27 2.12 0.03 0.52 0.00 0.00 175.17 175.59 3m4o h ARG 398 N 14.08 0.00 -1.31 4.34 3.08 -1.99 -2.87 114.38 129.71 3m4o h ARG 398 Ca -0.26 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.14 3m4o h ARG 398 Cb 1.14 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.84 3m4o h ARG 398 CO 1.22 0.09 0.03 -0.25 -1.07 0.00 0.00 179.97 179.99 3m4o n ASP 399 N -3.97 6.10 -4.71 7.04 8.00 -1.26 -4.87 116.55 122.88 3m4o n ASP 399 Ca -0.02 -3.77 -0.37 0.00 0.71 0.00 0.00 54.79 51.33 3m4o n ASP 399 Cb 0.18 -0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 40.52 3m4o n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3m4o s HIS 400 N -3.75 3.46 0.30 1.24 2.46 -1.09 -4.87 115.29 113.05 3m4o s HIS 400 Ca 0.54 0.72 0.25 0.00 0.47 0.00 0.00 55.06 57.04 3m4o s HIS 400 Cb 0.44 -2.48 1.20 0.00 -0.13 0.00 0.00 32.58 31.61 3m4o s HIS 400 CO -0.14 0.14 1.96 0.35 -2.47 0.00 0.00 174.74 174.57 3m4o h PHE 401 N 6.89 0.00 0.00 3.88 3.57 -1.92 -2.66 116.94 126.71 3m4o h PHE 401 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3m4o h PHE 401 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3m4o h PHE 401 CO 0.63 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 177.30 3m4o n GLY 402 N -0.33 -0.87 0.14 2.40 0.00 -1.26 -2.05 105.19 103.22 3m4o n GLY 402 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3m4o n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4o n LYS 403 N -1.37 1.22 -4.87 1.61 5.02 -1.00 -4.44 118.16 114.33 3m4o n LYS 403 Ca 0.06 -1.93 -0.30 0.00 -2.02 0.00 0.00 58.31 54.12 3m4o n LYS 403 Cb 0.14 -1.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3m4o n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3m4o s LYS 404 N -1.77 1.75 0.18 1.97 1.02 -0.87 -1.36 119.74 120.66 3m4o s LYS 404 Ca 0.18 -1.11 0.09 0.00 0.02 0.00 0.00 55.97 55.15 3m4o s LYS 404 Cb 0.16 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 3m4o s LYS 404 CO 0.02 0.50 -0.20 1.03 -0.92 0.00 0.00 175.35 175.78 3m4o s ARG 405 N -1.27 1.36 -0.17 1.68 1.81 -0.62 -4.69 118.95 117.04 3m4o s ARG 405 Ca 0.12 -1.46 -0.05 0.00 -1.72 0.00 0.00 55.73 52.62 3m4o s ARG 405 Cb -0.10 -1.49 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 3m4o s ARG 405 CO 0.02 0.31 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.44 3m4o s LEU 406 N -2.71 3.40 -0.74 2.53 1.43 0.12 -1.24 118.68 121.47 3m4o s LEU 406 Ca 0.18 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 3m4o s LEU 406 Cb -0.06 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.45 3m4o s LEU 406 CO 0.08 0.15 0.86 -1.81 0.23 0.00 0.00 176.35 175.86 3m4o s ASP 407 N 0.50 6.41 0.90 2.29 1.01 0.21 -4.36 116.67 123.63 3m4o s ASP 407 Ca -0.01 -1.79 0.00 0.00 0.71 0.00 0.00 52.55 51.46 3m4o s ASP 407 Cb -0.14 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3m4o s ASP 407 CO 0.02 -1.04 0.00 -0.11 0.21 0.00 0.00 175.17 174.26 3m4o n LEU 408 N 6.10 0.00 -0.12 1.23 7.94 -1.26 -2.45 117.00 128.45 3m4o n LEU 408 Ca 0.05 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.09 3m4o n LEU 408 Cb 0.45 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.92 3m4o n LEU 408 CO 0.52 -0.69 1.20 0.00 -1.11 0.00 0.00 177.39 177.31 3m4o h ALA 409 N -2.00 2.10 -3.00 1.96 0.00 -1.87 -3.01 119.26 113.44 3m4o h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m4o h ALA 409 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3m4o h ALA 409 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.39 3m4o n GLY 410 N -1.53 -2.72 0.02 0.00 0.00 -1.24 -2.96 105.19 96.76 3m4o n GLY 410 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.23 3m4o n GLY 410 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m4o n PRO 411 N -0.36 0.01 0.12 1.61 -0.02 -1.22 0.16 135.00 135.30 3m4o n PRO 411 Ca 0.00 0.30 -0.23 0.00 -2.02 0.00 0.00 63.50 61.56 3m4o n PRO 411 Cb 0.00 -1.79 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 3m4o n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3m4o h LEU 412 N 0.00 0.84 -0.40 2.45 3.38 -1.58 -3.08 115.31 116.92 3m4o h LEU 412 Ca 0.00 -0.83 -0.18 0.00 0.09 0.00 0.00 57.88 56.96 3m4o h LEU 412 Cb 0.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3m4o h LEU 412 CO 0.00 1.63 -0.68 -0.07 0.09 0.00 0.00 178.44 179.41 3m4o h LEU 413 N 0.21 0.60 -0.58 1.67 3.38 0.17 -3.11 115.31 117.65 3m4o h LEU 413 Ca -0.21 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.46 3m4o h LEU 413 Cb 2.02 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.54 3m4o h LEU 413 CO 0.25 1.11 0.25 0.00 0.09 0.00 0.00 178.44 180.15 3m4o h ALA 414 N 0.88 0.75 -0.00 1.53 0.00 -1.28 0.39 119.26 121.53 3m4o h ALA 414 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m4o h ALA 414 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3m4o h ALA 414 CO 0.12 -0.13 -0.31 0.00 0.00 0.00 0.00 179.25 178.93 3m4o n GLN 415 N -4.94 0.47 -0.02 0.00 10.64 -1.16 -1.95 117.38 120.41 3m4o n GLN 415 Ca 0.07 -0.25 -0.22 0.00 -1.83 0.00 0.00 57.00 54.77 3m4o n GLN 415 Cb 0.22 -1.49 -0.13 0.00 -0.86 0.00 0.00 30.24 27.97 3m4o n GLN 415 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3m4o n LEU 416 N -1.04 2.49 -0.11 2.61 0.00 -0.89 -3.75 117.00 116.30 3m4o n LEU 416 Ca 0.10 0.25 -0.09 0.00 0.00 0.00 0.00 56.01 56.27 3m4o n LEU 416 Cb 0.33 -1.09 -0.01 0.00 0.00 0.00 0.00 43.42 42.66 3m4o n LEU 416 CO 0.29 0.74 0.96 0.15 0.00 0.00 0.00 177.39 179.53 3m4o h PHE 417 N -0.16 0.48 -0.30 1.96 3.57 -0.27 -2.10 116.94 120.12 3m4o h PHE 417 Ca -0.42 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.10 3m4o h PHE 417 Cb 1.88 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.43 3m4o h PHE 417 CO 0.08 0.38 -0.25 0.87 -2.23 0.00 0.00 178.31 177.16 3m4o h LYS 418 N 0.44 -0.09 -0.49 1.11 1.57 -1.58 0.39 116.57 117.93 3m4o h LYS 418 Ca 0.12 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 3m4o h LYS 418 Cb 0.06 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 3m4o h LYS 418 CO -0.02 -0.06 -0.31 1.15 -0.57 0.00 0.00 179.45 179.64 3m4o h THR 419 N -0.09 0.22 -0.43 -0.16 2.02 -1.60 -2.16 112.91 110.71 3m4o h THR 419 Ca 0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 3m4o h THR 419 Cb 0.22 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3m4o h THR 419 CO -0.33 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.51 3m4o h LEU 420 N -0.19 0.73 -1.19 2.58 3.38 -0.67 -1.22 115.31 118.73 3m4o h LEU 420 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3m4o h LEU 420 Cb 0.53 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3m4o h LEU 420 CO -0.60 0.84 0.00 0.15 0.09 0.00 0.00 178.44 178.93 3m4o h PHE 421 N 0.59 0.00 0.13 1.13 3.57 0.10 0.23 116.94 122.69 3m4o h PHE 421 Ca 0.13 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.38 3m4o h PHE 421 Cb 0.46 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.20 3m4o h PHE 421 CO 0.03 0.00 -1.21 0.87 -2.23 0.00 0.00 178.31 175.77 3m4o h LYS 422 N 0.00 0.27 -0.84 1.11 1.57 -1.10 -2.41 116.57 115.17 3m4o h LYS 422 Ca 0.00 -0.47 0.15 0.00 -1.87 0.00 0.00 60.65 58.46 3m4o h LYS 422 Cb 0.42 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3m4o h LYS 422 CO 0.00 1.22 0.55 -0.22 -0.57 0.00 0.00 179.45 180.43 3m4o h LYS 423 N -0.31 0.55 0.00 3.15 3.64 -0.38 0.66 116.57 123.88 3m4o h LYS 423 Ca -0.25 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 3m4o h LYS 423 Cb 1.73 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 3m4o h LYS 423 CO 0.10 0.36 -0.84 1.25 -2.27 0.00 0.00 179.45 178.05 3m4o h LEU 424 N 0.57 0.00 0.00 5.20 6.46 -0.70 -2.75 115.31 124.09 3m4o h LEU 424 Ca 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 3m4o h LEU 424 Cb 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 3m4o h LEU 424 CO -0.17 0.84 -0.55 0.00 -0.62 0.00 0.00 178.44 177.93 3m4o h THR 425 N 0.00 0.00 0.00 1.05 1.03 -0.44 -2.85 112.91 111.70 3m4o h THR 425 Ca -0.01 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 3m4o h THR 425 Cb 1.62 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.30 3m4o h THR 425 CO 0.11 0.00 -0.80 2.29 -0.01 0.00 0.00 175.52 177.11 3m4o n LYS 426 N -2.71 0.18 0.19 0.00 2.85 0.21 -2.95 118.16 115.93 3m4o n LYS 426 Ca 0.02 0.01 0.12 0.00 -1.05 0.00 0.00 58.31 57.42 3m4o n LYS 426 Cb 0.52 -1.57 0.21 0.00 -0.65 0.00 0.00 35.03 33.53 3m4o n LYS 426 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3m4o h ASP 427 N 0.00 0.00 1.26 -5.58 3.32 -1.50 -3.08 116.42 110.83 3m4o h ASP 427 Ca 0.00 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3m4o h ASP 427 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3m4o h ASP 427 CO 0.00 0.00 -0.78 0.40 -1.72 0.00 0.00 179.24 177.15 3m4o h ILE 428 N 0.00 0.49 0.40 0.35 1.08 -1.46 -3.15 117.51 115.22 3m4o h ILE 428 Ca 0.00 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 3m4o h ILE 428 Cb 0.94 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 3m4o h ILE 428 CO 0.00 0.28 -0.19 0.15 -0.69 0.00 0.00 178.15 177.70 3m4o h PHE 429 N 0.00 -0.50 0.00 1.37 -0.00 -1.58 -3.20 116.94 113.04 3m4o h PHE 429 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.91 3m4o h PHE 429 Cb 1.33 0.16 0.00 0.00 -0.00 0.00 0.00 35.95 37.44 3m4o h PHE 429 CO 0.00 -0.21 0.00 0.54 -0.00 0.00 0.00 178.31 178.64 3m4o n ARG 430 N -5.24 0.79 0.00 1.11 1.74 -1.17 -1.17 116.66 112.71 3m4o n ARG 430 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3m4o n ARG 430 Cb 0.27 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 3m4o n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3m4o n TYR 431 N 0.96 0.00 -0.03 -1.55 9.36 -1.19 -4.70 117.16 120.00 3m4o n TYR 431 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 3m4o n TYR 431 Cb 0.39 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.01 3m4o n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 3m4o h MET 432 N 0.00 0.15 -1.25 2.98 2.86 -1.19 -2.78 114.93 115.70 3m4o h MET 432 Ca 0.00 -0.09 0.37 0.00 -2.06 0.00 0.00 59.70 57.92 3m4o h MET 432 Cb 0.57 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.15 3m4o h MET 432 CO 0.00 0.63 0.84 1.96 1.06 0.00 0.00 176.91 181.40 3m4o h GLN 433 N -0.31 0.16 -0.58 1.72 4.20 -1.45 -0.72 115.11 118.13 3m4o h GLN 433 Ca 0.01 -0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 3m4o h GLN 433 Cb 0.61 -0.04 -0.19 0.00 0.30 0.00 0.00 27.48 28.16 3m4o h GLN 433 CO 0.02 0.10 0.11 0.54 -0.67 0.00 0.00 178.83 178.93 3m4o n ARG 434 N -4.49 2.13 -0.01 1.46 1.74 -1.11 -4.29 116.66 112.09 3m4o n ARG 434 Ca 0.31 -3.24 -0.05 0.00 -0.77 0.00 0.00 57.85 54.10 3m4o n ARG 434 Cb 1.25 -1.98 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 3m4o n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3m4o n THR 435 N -1.08 0.52 -1.23 0.55 -1.04 -0.28 -4.96 114.28 106.76 3m4o n THR 435 Ca 0.43 0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 62.36 3m4o n THR 435 Cb 1.15 -1.61 -0.05 0.00 -1.82 0.00 0.00 70.33 68.00 3m4o n THR 435 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3m4o n VAL 436 N -3.34 0.00 0.11 12.58 0.24 -1.19 -5.13 118.33 121.60 3m4o n VAL 436 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 3m4o n VAL 436 Cb 0.46 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 3m4o n VAL 436 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3m4o n GLU 437 N -1.20 0.00 0.00 7.34 1.02 -1.26 -5.20 120.64 121.34 3m4o n GLU 437 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3m4o n GLU 437 Cb 0.47 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 3m4o n GLU 437 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m4o n LEU 446 N -3.42 0.00 0.00 -4.62 7.94 -1.26 -5.21 117.00 110.43 3m4o n LEU 446 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3m4o n LEU 446 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3m4o n LEU 446 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3m4o n ALA 447 N 0.09 0.00 -1.57 1.96 0.00 -1.26 -4.97 120.51 114.76 3m4o n ALA 447 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3m4o n ALA 447 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3m4o n ALA 447 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3m4o n ILE 448 N 0.00 0.13 -2.82 0.00 2.08 -1.26 -4.91 119.36 112.58 3m4o n ILE 448 Ca 0.00 -0.62 -0.44 0.00 0.56 0.00 0.00 62.75 62.25 3m4o n ILE 448 Cb 0.00 -2.66 0.00 0.00 -0.75 0.00 0.00 39.64 36.23 3m4o n ILE 448 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 3m4o n ASN 449 N 13.72 5.14 0.30 4.38 5.15 -1.26 -4.86 115.26 137.83 3m4o n ASN 449 Ca 0.34 -2.97 0.18 0.00 -0.60 0.00 0.00 54.58 51.53 3m4o n ASN 449 Cb 0.49 -1.61 0.95 0.00 -0.53 0.00 0.00 39.78 39.08 3m4o n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m4o h ALA 450 N 7.13 1.13 -1.02 5.20 0.00 -1.91 -1.70 119.26 128.10 3m4o h ALA 450 Ca 0.35 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.48 3m4o h ALA 450 Cb 0.85 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 3m4o h ALA 450 CO 1.32 0.04 0.63 -0.22 0.00 0.00 0.00 179.25 181.02 3m4o h LYS 451 N 0.00 0.52 -0.97 0.00 3.11 -1.96 -0.46 116.57 116.81 3m4o h LYS 451 Ca -0.00 -0.03 0.11 0.00 -2.81 0.00 0.00 60.65 57.92 3m4o h LYS 451 Cb 0.19 -0.12 -0.13 0.00 -1.00 0.00 0.00 32.23 31.17 3m4o h LYS 451 CO 0.00 0.34 -0.51 1.15 -2.81 0.00 0.00 179.45 177.63 3m4o h THR 452 N 0.53 0.00 -0.35 1.00 2.02 -1.71 1.01 112.91 115.42 3m4o h THR 452 Ca 0.61 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.66 3m4o h THR 452 Cb 1.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3m4o h THR 452 CO -0.39 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.59 3m4o h ILE 453 N -0.02 1.28 -0.33 3.11 2.04 -1.53 -2.99 117.51 119.08 3m4o h ILE 453 Ca 0.23 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.46 3m4o h ILE 453 Cb 0.49 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3m4o h ILE 453 CO -0.94 0.49 -0.36 0.74 0.00 0.00 0.00 178.15 178.07 3m4o h THR 454 N 0.62 1.29 -0.56 -0.27 2.02 0.10 -0.96 112.91 115.14 3m4o h THR 454 Ca 0.06 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.70 3m4o h THR 454 Cb 0.89 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 3m4o h THR 454 CO 0.08 0.50 0.00 -1.54 0.37 0.00 0.00 175.52 174.93 3m4o n SER 455 N -4.14 3.39 -0.09 4.18 3.41 0.32 -3.37 113.62 117.31 3m4o n SER 455 Ca -0.03 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.48 3m4o n SER 455 Cb 0.52 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3m4o n SER 455 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m4o n GLY 456 N 1.51 -0.48 0.27 5.00 0.00 -1.13 -3.43 105.19 106.94 3m4o n GLY 456 Ca 0.21 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.21 3m4o n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m4o h LEU 457 N 0.00 0.00 0.10 0.99 3.38 -1.30 -3.13 115.31 115.35 3m4o h LEU 457 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 3m4o h LEU 457 Cb 1.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 3m4o h LEU 457 CO -0.03 0.00 -1.84 0.29 0.09 0.00 0.00 178.44 176.95 3m4o n LYS 458 N -3.08 0.72 0.08 1.13 5.02 -1.22 -2.86 118.16 117.96 3m4o n LYS 458 Ca 0.01 0.33 -0.12 0.00 -2.02 0.00 0.00 58.31 56.51 3m4o n LYS 458 Cb 0.33 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 3m4o n LYS 458 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3m4o h TYR 459 N -0.17 -0.20 -0.82 2.13 -0.00 -1.65 1.00 116.97 117.27 3m4o h TYR 459 Ca -0.41 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.33 3m4o h TYR 459 Cb 1.87 0.08 -0.04 0.00 -0.00 0.00 0.00 36.73 38.64 3m4o h TYR 459 CO 0.08 -0.12 0.54 0.00 -0.00 0.00 0.00 178.16 178.66 3m4o h ALA 460 N 0.74 1.43 0.00 1.82 0.00 -1.71 -1.72 119.26 119.82 3m4o h ALA 460 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3m4o h ALA 460 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3m4o h ALA 460 CO -0.02 0.52 -0.64 1.25 0.00 0.00 0.00 179.25 180.36 3m4o h LEU 461 N 1.09 0.00 0.01 0.00 5.85 -1.29 -2.47 115.31 118.50 3m4o h LEU 461 Ca 0.30 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.75 3m4o h LEU 461 Cb -0.11 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.94 3m4o h LEU 461 CO -0.07 0.60 -1.08 0.00 -0.34 0.00 0.00 178.44 177.55 3m4o h ALA 462 N 1.40 0.12 0.00 1.25 0.00 0.15 -3.41 119.26 118.77 3m4o h ALA 462 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3m4o h ALA 462 Cb 1.47 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3m4o h ALA 462 CO 0.08 0.70 -0.14 0.25 0.00 0.00 0.00 179.25 180.14 3m4o n THR 463 N -3.83 0.30 0.00 0.00 -2.24 -0.69 -5.02 114.28 102.81 3m4o n THR 463 Ca -0.11 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3m4o n THR 463 Cb 0.90 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 3m4o n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m4o n GLY 464 N 1.65 1.23 3.50 3.38 0.00 -0.93 -4.78 105.19 109.24 3m4o n GLY 464 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3m4o n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m4o n ASN 465 N 0.00 3.26 -4.45 1.61 3.02 -1.26 -3.74 115.26 113.70 3m4o n ASN 465 Ca 0.00 -2.73 -0.36 0.00 -0.03 0.00 0.00 54.58 51.47 3m4o n ASN 465 Cb 0.00 -1.66 -0.04 0.00 -0.61 0.00 0.00 39.78 37.48 3m4o n ASN 465 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3m4o n TRP 466 N 12.56 3.39 0.00 3.10 -0.00 -1.26 -3.74 117.44 131.49 3m4o n TRP 466 Ca 0.46 -2.07 0.00 0.00 -0.00 0.00 0.00 57.50 55.89 3m4o n TRP 466 Cb 0.46 -2.55 0.00 0.00 -0.00 0.00 0.00 31.31 29.22 3m4o n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m4o n GLY 467 N 5.44 0.00 7.00 5.87 0.00 -1.26 -4.81 105.19 117.43 3m4o n GLY 467 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3m4o n GLY 467 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m4o n GLU 468 N 0.00 0.00 -0.29 1.61 2.13 -1.24 -3.96 120.64 118.89 3m4o n GLU 468 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3m4o n GLU 468 Cb 0.00 0.00 0.25 0.00 0.27 0.00 0.00 31.44 31.96 3m4o n GLU 468 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 3m4o h GLN 469 N 0.00 0.20 -0.67 5.31 3.07 -1.93 -3.33 115.11 117.75 3m4o h GLN 469 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 58.65 58.81 3m4o h GLN 469 Cb 0.00 -0.04 -0.11 0.00 0.08 0.00 0.00 27.48 27.41 3m4o h GLN 469 CO 0.00 0.13 -0.49 0.87 0.09 0.00 0.00 178.83 179.43 3m4o h LYS 470 N 0.20 -0.19 0.00 0.06 1.57 -1.95 -3.46 116.57 112.81 3m4o h LYS 470 Ca 0.51 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3m4o h LYS 470 Cb 1.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3m4o h LYS 470 CO -0.64 -0.12 0.00 0.36 -0.57 0.00 0.00 179.45 178.47 3m4o n LYS 471 N -5.37 0.00 -0.18 3.15 -0.00 -1.25 -4.75 118.16 109.75 3m4o n LYS 471 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.32 3m4o n LYS 471 Cb 0.33 -2.65 0.09 0.00 -0.00 0.00 0.00 35.03 32.80 3m4o n LYS 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3m4o h ALA 472 N 0.00 0.63 -0.05 0.58 0.00 -1.94 -3.16 119.26 115.31 3m4o h ALA 472 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3m4o h ALA 472 Cb 0.00 0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m4o h ALA 472 CO 0.00 -0.32 0.35 -1.33 0.00 0.00 0.00 179.25 177.95 3m4o n MET 473 N -5.14 0.06 -0.23 0.00 2.81 -1.26 -4.73 117.12 108.62 3m4o n MET 473 Ca 0.07 -1.18 0.00 0.00 -1.81 0.00 0.00 57.70 54.79 3m4o n MET 473 Cb 0.29 -3.03 0.00 0.00 -0.71 0.00 0.00 33.22 29.77 3m4o n MET 473 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3m4o n SER 474 N 15.01 3.04 0.00 7.83 3.41 -1.20 -3.29 113.62 138.42 3m4o n SER 474 Ca 0.30 -1.74 0.06 0.00 -0.26 0.00 0.00 58.87 57.22 3m4o n SER 474 Cb 0.47 -0.62 0.28 0.00 -0.26 0.00 0.00 64.21 64.08 3m4o n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3m4o n SER 475 N 1.40 0.00 0.00 4.04 3.41 -1.26 -4.39 113.62 116.81 3m4o n SER 475 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3m4o n SER 475 Cb 0.32 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3m4o n SER 475 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3m4o n ARG 476 N -1.31 0.00 -0.81 4.33 1.74 -1.21 -4.18 116.66 115.23 3m4o n ARG 476 Ca 0.05 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.92 3m4o n ARG 476 Cb 0.09 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.49 3m4o n ARG 476 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m4o n ALA 477 N 0.00 5.14 -4.20 7.54 0.00 -1.26 -4.55 120.51 123.18 3m4o n ALA 477 Ca 0.00 -2.04 -0.33 0.00 0.00 0.00 0.00 53.44 51.07 3m4o n ALA 477 Cb 0.00 -2.88 -0.08 0.00 0.00 0.00 0.00 19.45 16.49 3m4o n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4o n GLY 478 N 3.45 -0.24 3.53 0.00 0.00 -1.25 -4.81 105.19 105.88 3m4o n GLY 478 Ca 0.46 0.11 -0.47 0.00 0.00 0.00 0.00 46.02 46.12 3m4o n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m4o n VAL 479 N -3.98 0.29 -0.29 1.61 0.31 -1.24 -3.30 118.33 111.73 3m4o n VAL 479 Ca -0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 3m4o n VAL 479 Cb 0.52 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 3m4o n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3m4o n SER 480 N 10.42 -0.38 -4.53 4.52 2.88 -1.01 -3.70 113.62 121.83 3m4o n SER 480 Ca 0.35 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.62 3m4o n SER 480 Cb 0.33 -0.19 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 3m4o n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3m4o s GLN 481 N -0.63 1.90 -0.90 -1.46 -0.21 -0.64 -4.44 119.66 113.27 3m4o s GLN 481 Ca 0.00 -1.32 -0.08 0.00 0.02 0.00 0.00 55.36 53.99 3m4o s GLN 481 Cb 0.00 -2.08 -0.14 0.00 1.00 0.00 0.00 33.01 31.79 3m4o s GLN 481 CO 0.00 0.43 3.17 1.33 -2.12 0.00 0.00 175.29 178.10 3m4o n VAL 482 N 0.19 3.82 -1.74 1.09 0.24 -1.26 0.18 118.33 120.85 3m4o n VAL 482 Ca -0.12 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 59.87 3m4o n VAL 482 Cb 0.55 -2.28 0.00 0.00 -1.47 0.00 0.00 33.84 30.64 3m4o n VAL 482 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3m4o n LEU 483 N 2.86 0.00 -3.16 1.34 4.77 -1.17 -4.80 117.00 116.84 3m4o n LEU 483 Ca 0.62 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 3m4o n LEU 483 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3m4o n LEU 483 CO 0.53 0.00 0.83 0.21 -1.33 0.00 0.00 177.39 177.63 3m4o s ASN 484 N -4.00 -0.06 -0.55 -1.43 2.47 -1.26 -5.01 114.94 105.11 3m4o s ASN 484 Ca 0.00 0.05 0.06 0.00 0.42 0.00 0.00 52.86 53.39 3m4o s ASN 484 Cb 0.00 1.05 0.33 0.00 -1.45 0.00 0.00 41.25 41.18 3m4o s ASN 484 CO 0.00 -0.01 0.88 0.54 -3.72 0.00 0.00 177.10 174.79 3m4o n ARG 485 N 5.14 2.71 -0.11 0.43 1.74 -1.26 -2.97 116.66 122.34 3m4o n ARG 485 Ca -0.08 -4.55 -0.19 0.00 -0.77 0.00 0.00 57.85 52.26 3m4o n ARG 485 Cb 0.55 -2.12 -0.07 0.00 -1.02 0.00 0.00 32.46 29.80 3m4o n ARG 485 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3m4o n TYR 486 N 0.01 0.15 -4.28 -1.55 9.36 -1.26 -4.77 117.16 114.82 3m4o n TYR 486 Ca 0.30 0.06 -0.15 0.00 3.32 0.00 0.00 57.90 61.43 3m4o n TYR 486 Cb 0.44 -0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 38.27 3m4o n TYR 486 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3m4o s THR 487 N -2.64 1.21 0.05 2.97 2.01 -1.26 -4.19 115.64 113.79 3m4o s THR 487 Ca -0.32 -2.07 -0.23 0.00 0.31 0.00 0.00 61.69 59.37 3m4o s THR 487 Cb 0.09 -1.98 -0.12 0.00 0.01 0.00 0.00 72.50 70.50 3m4o s THR 487 CO 0.45 -0.64 1.36 0.22 -0.69 0.00 0.00 174.62 175.32 3m4o h TYR 488 N 2.69 -0.88 0.00 4.92 3.20 -1.75 -1.70 116.97 123.44 3m4o h TYR 488 Ca -0.37 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3m4o h TYR 488 Cb 1.20 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.80 3m4o h TYR 488 CO 0.64 -0.45 0.00 -1.13 -1.64 0.00 0.00 178.16 175.58 3m4o n SER 489 N -4.35 0.00 -0.08 -2.11 3.41 -1.26 -0.99 113.62 108.23 3m4o n SER 489 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.45 3m4o n SER 489 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3m4o n SER 489 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3m4o n SER 490 N -0.52 1.84 -0.30 4.04 2.88 -0.68 -3.74 113.62 117.14 3m4o n SER 490 Ca 0.00 0.38 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 3m4o n SER 490 Cb 0.00 -0.75 0.10 0.00 -0.75 0.00 0.00 64.21 62.80 3m4o n SER 490 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3m4o h THR 491 N -0.96 0.15 0.13 2.46 2.02 -0.62 0.46 112.91 116.55 3m4o h THR 491 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3m4o h THR 491 Cb 0.87 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3m4o h THR 491 CO 0.00 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.43 3m4o h LEU 492 N -0.01 -1.17 -1.53 2.58 3.38 -1.49 -2.65 115.31 114.42 3m4o h LEU 492 Ca 0.39 0.12 0.24 0.00 0.09 0.00 0.00 57.88 58.72 3m4o h LEU 492 Cb 0.61 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 3m4o h LEU 492 CO -0.86 -0.43 0.65 -1.28 0.09 0.00 0.00 178.44 176.61 3m4o h SER 493 N -0.59 0.36 0.68 -0.43 0.87 -1.23 -2.01 113.55 111.20 3m4o h SER 493 Ca -0.01 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3m4o h SER 493 Cb 0.58 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3m4o h SER 493 CO -0.19 0.11 -0.10 1.57 -0.53 0.00 0.00 176.83 177.69 3m4o n HIS 494 N -4.51 0.00 0.04 2.24 -0.00 0.15 -2.64 115.22 110.50 3m4o n HIS 494 Ca 0.22 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 58.02 3m4o n HIS 494 Cb 0.83 -0.34 -0.09 0.00 -0.00 0.00 0.00 29.99 30.39 3m4o n HIS 494 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3m4o n LEU 495 N -1.33 0.49 -2.15 0.27 4.77 -0.76 -4.32 117.00 113.97 3m4o n LEU 495 Ca 0.10 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 3m4o n LEU 495 Cb 0.30 0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.58 3m4o n LEU 495 CO 0.27 -0.02 1.25 0.54 -1.33 0.00 0.00 177.39 178.09 3m4o n ARG 496 N -2.56 2.30 -3.89 3.23 1.74 -1.08 -4.91 116.66 111.48 3m4o n ARG 496 Ca -0.05 -3.09 -0.26 0.00 -0.77 0.00 0.00 57.85 53.68 3m4o n ARG 496 Cb 0.64 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.89 3m4o n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3m4o s ARG 497 N -3.39 3.45 -0.06 5.56 3.52 -1.25 -1.62 118.95 125.16 3m4o s ARG 497 Ca 0.57 -0.55 0.05 0.00 -0.13 0.00 0.00 55.73 55.67 3m4o s ARG 497 Cb 0.48 -2.94 -0.00 0.00 -1.56 0.00 0.00 34.95 30.92 3m4o s ARG 497 CO 0.08 0.49 -0.21 0.99 -0.81 0.00 0.00 175.30 175.84 3m4o s THR 498 N -1.78 1.76 0.13 4.11 2.01 0.47 -2.77 115.64 119.57 3m4o s THR 498 Ca 0.35 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3m4o s THR 498 Cb -0.11 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3m4o s THR 498 CO 0.29 0.49 0.04 0.21 -0.69 0.00 0.00 174.62 174.96 3m4o s ASN 499 N 0.04 5.12 -0.19 3.53 2.47 0.76 -2.25 114.94 124.41 3m4o s ASN 499 Ca -0.07 -0.22 -0.04 0.00 0.42 0.00 0.00 52.86 52.95 3m4o s ASN 499 Cb -0.14 -1.23 0.09 0.00 -1.45 0.00 0.00 41.25 38.52 3m4o s ASN 499 CO 0.04 0.12 0.19 -0.89 -3.72 0.00 0.00 177.10 172.84 3m4o s THR 500 N -1.56 -0.27 1.17 -5.21 2.01 -1.23 -0.63 115.64 109.92 3m4o s THR 500 Ca 0.28 -0.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.96 3m4o s THR 500 Cb -0.11 -0.65 0.28 0.00 0.01 0.00 0.00 72.50 72.04 3m4o s THR 500 CO 0.20 -0.22 1.18 -0.81 -0.69 0.00 0.00 174.62 174.28 3m4o n PRO 501 N 5.31 -2.61 0.00 4.92 -0.04 -1.26 -4.83 135.00 136.49 3m4o n PRO 501 Ca -0.06 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 3m4o n PRO 501 Cb 0.49 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3m4o n PRO 501 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3m4o n ILE 502 N -4.58 0.00 1.07 0.52 5.41 -1.26 -5.15 119.36 115.38 3m4o n ILE 502 Ca 0.16 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.04 3m4o n ILE 502 Cb 0.59 0.00 0.46 0.00 -0.71 0.00 0.00 39.64 39.99 3m4o n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m4o n ALA 509 N 9.72 2.91 -3.12 -1.39 0.00 -1.26 -5.19 120.51 122.17 3m4o n ALA 509 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 3m4o n ALA 509 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3m4o n ALA 509 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3m4o n LYS 510 N -1.40 1.58 -0.04 0.00 5.02 -1.26 -5.00 118.16 117.06 3m4o n LYS 510 Ca 0.08 -3.78 0.01 0.00 -2.02 0.00 0.00 58.31 52.60 3m4o n LYS 510 Cb 0.33 -1.85 0.03 0.00 -0.02 0.00 0.00 35.03 33.52 3m4o n LYS 510 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3m4o n PRO 511 N 0.14 1.17 -0.08 1.97 -0.05 -1.26 -3.15 135.00 133.73 3m4o n PRO 511 Ca 0.27 -0.25 -0.18 0.00 -0.05 0.00 0.00 63.50 63.29 3m4o n PRO 511 Cb 0.59 -1.08 -0.13 0.00 -0.05 0.00 0.00 33.50 32.83 3m4o n PRO 511 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3m4o n ARG 512 N -0.29 0.69 -1.41 0.54 1.74 -1.26 -4.62 116.66 112.05 3m4o n ARG 512 Ca 0.02 0.18 -0.55 0.00 -0.77 0.00 0.00 57.85 56.73 3m4o n ARG 512 Cb 0.07 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 29.83 3m4o n ARG 512 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3m4o n GLN 513 N -3.27 0.00 -1.88 5.56 3.00 -1.19 -4.59 117.38 115.01 3m4o n GLN 513 Ca -0.38 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.22 3m4o n GLN 513 Cb 1.03 -1.36 -0.03 0.00 0.00 0.00 0.00 30.24 29.88 3m4o n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3m4o s LEU 514 N 0.57 3.37 0.15 1.08 2.96 -1.26 -4.95 118.68 120.61 3m4o s LEU 514 Ca 0.85 0.82 -0.30 0.00 -0.22 0.00 0.00 54.13 55.28 3m4o s LEU 514 Cb -1.20 -2.79 -0.07 0.00 0.50 0.00 0.00 46.19 42.64 3m4o s LEU 514 CO 0.56 -2.34 0.97 -2.28 -1.32 0.00 0.00 176.35 171.94 3m4o s HIS 515 N 9.37 3.84 0.23 5.38 5.65 -1.26 -4.94 115.29 133.57 3m4o s HIS 515 Ca 0.79 1.82 0.07 0.00 0.25 0.00 0.00 55.06 57.99 3m4o s HIS 515 Cb -0.17 -3.05 0.69 0.00 -1.18 0.00 0.00 32.58 28.87 3m4o s HIS 515 CO 0.26 0.21 1.06 0.09 -0.65 0.00 0.00 174.74 175.71 3m4o n ASN 516 N 2.37 0.06 0.17 9.88 3.02 -1.26 -0.59 115.26 128.91 3m4o n ASN 516 Ca 0.01 1.14 0.04 0.00 -0.03 0.00 0.00 54.58 55.74 3m4o n ASN 516 Cb 0.48 -0.48 0.47 0.00 -0.61 0.00 0.00 39.78 39.64 3m4o n ASN 516 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3m4o h THR 517 N 0.00 1.13 0.00 3.41 1.35 -1.92 -2.61 112.91 114.27 3m4o h THR 517 Ca 0.48 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3m4o h THR 517 Cb 1.15 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3m4o h THR 517 CO -0.59 0.17 0.29 1.41 -0.25 0.00 0.00 175.52 176.56 3m4o n HIS 518 N -4.35 0.02 -1.48 4.73 8.25 0.25 -4.66 115.22 117.98 3m4o n HIS 518 Ca -0.01 0.01 -0.53 0.00 -0.26 0.00 0.00 57.72 56.93 3m4o n HIS 518 Cb 0.22 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 3m4o n HIS 518 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3m4o n TRP 519 N -1.27 1.67 -0.88 4.41 -0.00 -0.99 -0.76 117.44 119.62 3m4o n TRP 519 Ca -0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.50 57.85 3m4o n TRP 519 Cb 0.30 -2.50 0.00 0.00 -0.00 0.00 0.00 31.31 29.10 3m4o n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m4o n GLY 520 N 6.16 0.32 0.47 5.87 0.00 -1.26 -4.74 105.19 112.01 3m4o n GLY 520 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 3m4o n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4o n LEU 521 N 0.00 1.35 -4.85 0.99 4.32 0.06 -4.65 117.00 114.22 3m4o n LEU 521 Ca 0.00 0.21 -0.36 0.00 -0.02 0.00 0.00 56.01 55.84 3m4o n LEU 521 Cb 0.16 -0.53 -0.06 0.00 -1.62 0.00 0.00 43.42 41.37 3m4o n LEU 521 CO 0.00 -0.47 0.12 -0.69 -1.22 0.00 0.00 177.39 175.12 3m4o s VAL 522 N -2.29 5.03 0.02 4.08 1.01 -0.50 0.05 120.40 127.79 3m4o s VAL 522 Ca -0.14 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 3m4o s VAL 522 Cb 0.02 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3m4o s VAL 522 CO 0.21 0.37 1.47 0.00 0.00 0.00 0.00 175.10 177.15 3m4o h PRO 524 N 7.97 0.00 0.00 0.00 0.13 -1.89 -3.35 132.00 134.86 3m4o h PRO 524 Ca -0.39 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.39 3m4o h PRO 524 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3m4o h PRO 524 CO 0.91 0.00 -2.16 0.00 -0.23 0.00 0.00 178.00 176.52 3m4o n ALA 525 N -2.08 1.22 -2.02 -0.56 0.00 -1.26 -4.98 120.51 110.83 3m4o n ALA 525 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 3m4o n ALA 525 Cb 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 3m4o n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m4o s GLU 526 N -2.57 4.07 -0.29 0.00 2.12 -1.26 -4.33 118.70 116.44 3m4o s GLU 526 Ca -0.35 2.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.75 3m4o s GLU 526 Cb 0.12 -4.01 0.19 0.00 0.26 0.00 0.00 34.13 30.70 3m4o s GLU 526 CO 0.46 -0.98 1.38 -0.08 -0.54 0.00 0.00 175.26 175.50 3m4o s THR 527 N 4.41 0.00 0.64 -1.70 -1.32 -1.26 -4.22 115.64 112.20 3m4o s THR 527 Ca 0.74 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.10 3m4o s THR 527 Cb -0.31 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.65 3m4o s THR 527 CO 0.29 0.00 1.04 -2.16 -2.21 0.00 0.00 174.62 171.59 3m4o s PRO 528 N -1.07 3.31 0.28 7.08 0.04 -1.26 -4.72 135.00 138.65 3m4o s PRO 528 Ca 0.10 0.92 0.06 0.00 0.04 0.00 0.00 61.00 62.11 3m4o s PRO 528 Cb -0.01 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3m4o s PRO 528 CO -0.08 -0.80 0.36 -1.21 0.04 0.00 0.00 177.00 175.31 3m4o s GLU 529 N -4.87 3.21 6.61 4.56 2.02 -1.26 -3.88 118.70 125.09 3m4o s GLU 529 Ca 0.58 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.64 3m4o s GLU 529 Cb -0.13 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3m4o s GLU 529 CO 0.50 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.48 3m4o n GLY 530 N -1.44 2.83 0.00 -1.39 0.00 -1.26 -4.51 105.19 99.43 3m4o n GLY 530 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3m4o n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m4o n GLN 531 N 13.69 0.00 -2.28 1.61 6.02 -1.26 0.71 117.38 135.87 3m4o n GLN 531 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 3m4o n GLN 531 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 3m4o n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m4o n ALA 532 N 0.00 5.46 -1.92 -1.58 0.00 -1.26 -5.04 120.51 116.16 3m4o n ALA 532 Ca 0.00 -4.22 -0.42 0.00 0.00 0.00 0.00 53.44 48.80 3m4o n ALA 532 Cb 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 3m4o n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m4o n GLY 534 N 3.93 0.87 0.13 0.00 0.00 -1.26 -4.80 105.19 104.05 3m4o n GLY 534 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 3m4o n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4o n LEU 535 N 0.00 2.50 -4.74 0.99 4.77 -0.76 -4.29 117.00 115.48 3m4o n LEU 535 Ca 0.00 0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.82 3m4o n LEU 535 Cb 0.00 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 3m4o n LEU 535 CO 0.00 0.75 0.37 -0.69 -1.33 0.00 0.00 177.39 176.49 3m4o s VAL 536 N -2.52 4.95 0.34 4.08 1.01 -1.07 -3.47 120.40 123.72 3m4o s VAL 536 Ca -0.25 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.17 3m4o s VAL 536 Cb 0.07 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3m4o s VAL 536 CO 0.72 0.32 0.15 -1.59 0.00 0.00 0.00 175.10 174.70 3m4o s LYS 537 N 0.34 1.71 -0.01 2.72 0.00 -0.95 -4.63 119.74 118.92 3m4o s LYS 537 Ca 0.35 -2.00 0.03 0.00 0.00 0.00 0.00 55.97 54.36 3m4o s LYS 537 Cb -0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 37.83 37.35 3m4o s LYS 537 CO 0.18 -0.45 -0.10 -0.80 0.00 0.00 0.00 175.35 174.18 3m4o s ASN 538 N -3.45 1.24 0.14 0.03 0.01 -1.26 -0.39 114.94 111.25 3m4o s ASN 538 Ca 0.32 -0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.98 3m4o s ASN 538 Cb 0.04 -0.15 -0.08 0.00 0.41 0.00 0.00 41.25 41.48 3m4o s ASN 538 CO 0.17 0.13 1.27 -0.76 -1.51 0.00 0.00 177.10 176.40 3m4o s LEU 539 N -0.22 4.40 1.05 0.60 1.43 -0.64 0.14 118.68 125.44 3m4o s LEU 539 Ca 0.04 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 3m4o s LEU 539 Cb -0.04 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.77 3m4o s LEU 539 CO -0.00 -0.50 0.87 -1.54 0.23 0.00 0.00 176.35 175.40 3m4o n SER 540 N 3.27 -1.13 0.10 2.29 3.41 0.11 -4.39 113.62 117.27 3m4o n SER 540 Ca 0.08 0.11 -0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3m4o n SER 540 Cb 0.44 -1.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 3m4o n SER 540 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3m4o h LEU 541 N -2.21 -0.51 -1.54 1.04 3.38 -0.61 -3.16 115.31 111.71 3m4o h LEU 541 Ca -0.52 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3m4o h LEU 541 Cb 1.31 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3m4o h LEU 541 CO 0.43 -0.26 0.02 0.23 0.09 0.00 0.00 178.44 178.95 3m4o n MET 542 N -5.31 1.37 -4.43 1.13 2.81 -1.26 -4.86 117.12 106.57 3m4o n MET 542 Ca -0.06 -0.35 -0.31 0.00 -1.81 0.00 0.00 57.70 55.16 3m4o n MET 542 Cb 0.22 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.16 3m4o n MET 542 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3m4o s SER 543 N 0.13 4.27 0.16 7.83 1.04 -1.20 -3.97 113.70 121.96 3m4o s SER 543 Ca 0.06 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.21 3m4o s SER 543 Cb 0.05 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.29 3m4o s SER 543 CO 0.02 0.23 -0.11 0.00 0.98 0.00 0.00 173.24 174.36 3m4o s ILE 545 N -3.27 4.97 1.12 0.00 1.01 -1.26 -0.52 121.20 123.25 3m4o s ILE 545 Ca 0.18 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 3m4o s ILE 545 Cb 0.02 -3.73 0.25 0.00 0.01 0.00 0.00 42.46 39.02 3m4o s ILE 545 CO 0.02 -0.35 1.06 -0.94 0.00 0.00 0.00 174.94 174.73 3m4o s SER 546 N -3.11 1.54 0.00 3.58 1.04 0.12 -4.89 113.70 111.97 3m4o s SER 546 Ca 0.46 1.20 0.00 0.00 0.48 0.00 0.00 55.95 58.09 3m4o s SER 546 Cb -0.11 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.15 3m4o s SER 546 CO 0.30 -3.81 0.00 0.55 0.98 0.00 0.00 173.24 171.26 3m4o n VAL 547 N -4.63 0.00 0.00 5.02 3.14 -1.26 -3.50 118.33 117.11 3m4o n VAL 547 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 3m4o n VAL 547 Cb 0.57 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3m4o n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3m4o n GLY 548 N 2.46 2.04 0.00 7.55 0.00 -1.26 -4.65 105.19 111.33 3m4o n GLY 548 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3m4o n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m4o n THR 549 N 0.06 0.00 -3.90 2.61 -1.04 -1.24 -5.01 114.28 105.77 3m4o n THR 549 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3m4o n THR 549 Cb 0.00 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 66.79 3m4o n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m4o s ASP 550 N -1.00 5.59 0.23 8.00 -1.08 -1.26 -4.95 116.67 122.19 3m4o s ASP 550 Ca 0.00 0.02 -0.06 0.00 -0.52 0.00 0.00 52.55 51.99 3m4o s ASP 550 Cb 0.00 -1.98 0.21 0.00 -1.46 0.00 0.00 42.92 39.69 3m4o s ASP 550 CO 0.00 0.11 1.77 -0.65 0.52 0.00 0.00 175.17 176.92 3m4o h PRO 551 N 7.20 1.09 0.00 4.34 0.11 -1.98 -3.34 132.00 139.42 3m4o h PRO 551 Ca -0.37 -0.22 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 3m4o h PRO 551 Cb 1.17 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3m4o h PRO 551 CO 0.66 0.92 -0.09 0.00 -0.21 0.00 0.00 178.00 179.29 3m4o h MET 552 N 1.05 0.00 0.00 1.05 -0.00 -1.98 0.10 114.93 115.15 3m4o h MET 552 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 3m4o h MET 552 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 3m4o h MET 552 CO -0.01 0.09 0.00 -1.00 -0.00 0.00 0.00 176.91 175.99 3m4o h PRO 553 N 0.00 0.00 0.02 -0.10 0.13 -1.99 -0.39 132.00 129.67 3m4o h PRO 553 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3m4o h PRO 553 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3m4o h PRO 553 CO 0.01 0.00 -0.18 0.82 -0.23 0.00 0.00 178.00 178.42 3m4o h ILE 554 N 0.00 1.68 -0.14 -3.56 1.08 -1.02 -2.94 117.51 112.62 3m4o h ILE 554 Ca 0.00 -2.23 0.03 0.00 -0.39 0.00 0.00 64.86 62.27 3m4o h ILE 554 Cb 0.49 3.17 -0.06 0.00 -3.07 0.00 0.00 36.82 37.35 3m4o h ILE 554 CO 0.00 0.59 -0.50 0.40 -0.69 0.00 0.00 178.15 177.95 3m4o h ILE 555 N -0.77 0.00 -1.04 -0.67 1.08 -1.31 0.46 117.51 115.26 3m4o h ILE 555 Ca -0.03 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.73 3m4o h ILE 555 Cb 1.07 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3m4o h ILE 555 CO 0.03 0.00 0.72 0.74 -0.69 0.00 0.00 178.15 178.95 3m4o h THR 556 N -0.53 0.51 0.04 -0.27 2.02 -1.21 0.26 112.91 113.72 3m4o h THR 556 Ca 0.03 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 3m4o h THR 556 Cb 0.62 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3m4o h THR 556 CO -0.41 0.03 -1.05 0.15 0.37 0.00 0.00 175.52 174.61 3m4o h PHE 557 N 0.18 0.16 0.47 3.16 3.57 -1.08 -3.27 116.94 120.12 3m4o h PHE 557 Ca 0.54 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 3m4o h PHE 557 Cb 1.77 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.50 3m4o h PHE 557 CO -0.00 1.07 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.85 3m4o h LEU 558 N 0.03 -0.53 -2.15 0.59 3.38 0.17 -2.70 115.31 114.08 3m4o h LEU 558 Ca -0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.01 3m4o h LEU 558 Cb 1.79 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 3m4o h LEU 558 CO 0.15 -0.15 0.27 0.77 0.09 0.00 0.00 178.44 179.57 3m4o h SER 559 N -1.10 0.00 -0.37 -0.43 4.64 -1.64 0.75 113.55 115.40 3m4o h SER 559 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3m4o h SER 559 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3m4o h SER 559 CO 0.11 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.45 3m4o n GLU 560 N -3.79 2.00 -0.88 4.77 1.02 -1.22 -4.24 120.64 118.30 3m4o n GLU 560 Ca 0.03 -1.54 0.02 0.00 -0.02 0.00 0.00 57.16 55.65 3m4o n GLU 560 Cb 0.41 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 3m4o n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3m4o n TRP 561 N 0.75 0.00 0.00 -0.32 7.02 0.26 -5.03 117.44 120.11 3m4o n TRP 561 Ca 0.16 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 3m4o n TRP 561 Cb 0.39 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.19 3m4o n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3m4o n GLY 562 N 0.19 0.79 1.80 6.99 0.00 -0.99 -4.95 105.19 109.01 3m4o n GLY 562 Ca 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3m4o n GLY 562 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3m4o n MET 563 N 0.00 -0.49 -2.48 1.61 0.00 -1.25 -4.66 117.12 109.85 3m4o n MET 563 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 57.70 57.91 3m4o n MET 563 Cb 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.71 3m4o n MET 563 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3m4o s GLU 564 N -0.21 4.05 0.67 2.12 2.02 -0.92 -4.40 118.70 122.02 3m4o s GLU 564 Ca 0.00 1.55 -0.14 0.00 0.02 0.00 0.00 54.97 56.40 3m4o s GLU 564 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.76 3m4o s GLU 564 CO 0.00 -0.25 1.10 -1.25 0.02 0.00 0.00 175.26 174.88 3m4o s PRO 565 N -2.60 2.77 0.02 0.39 0.04 -1.26 -2.78 135.00 131.57 3m4o s PRO 565 Ca 0.60 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 3m4o s PRO 565 Cb -0.23 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.19 3m4o s PRO 565 CO 0.28 -1.26 1.30 1.25 0.04 0.00 0.00 177.00 178.61 3m4o h LEU 566 N -0.13 0.27 -1.12 -3.56 5.85 -1.91 -3.02 115.31 111.68 3m4o h LEU 566 Ca -0.46 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 57.76 3m4o h LEU 566 Cb 1.24 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3m4o h LEU 566 CO 0.54 0.71 0.00 -1.84 -0.34 0.00 0.00 178.44 177.51 3m4o n GLU 567 N -4.64 0.14 -0.63 1.25 0.00 -1.26 -1.31 120.64 114.19 3m4o n GLU 567 Ca -0.07 0.57 0.07 0.00 0.00 0.00 0.00 57.16 57.73 3m4o n GLU 567 Cb 0.34 -1.90 0.33 0.00 0.00 0.00 0.00 31.44 30.21 3m4o n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3m4o n ASP 568 N -2.19 4.58 -4.63 -1.84 9.92 -1.14 -4.98 116.55 116.27 3m4o n ASP 568 Ca -0.00 -2.54 -0.41 0.00 -0.53 0.00 0.00 54.79 51.31 3m4o n ASP 568 Cb 0.08 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 39.92 3m4o n ASP 568 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3m4o s TYR 569 N -2.07 3.29 -0.58 1.24 5.04 -0.43 -4.94 117.35 118.90 3m4o s TYR 569 Ca 0.46 0.85 -0.13 0.00 -2.44 0.00 0.00 57.07 55.81 3m4o s TYR 569 Cb 0.32 -2.85 0.15 0.00 0.35 0.00 0.00 41.96 39.92 3m4o s TYR 569 CO 0.19 -0.32 0.51 0.14 -1.34 0.00 0.00 175.55 174.72 3m4o s VAL 570 N 2.51 4.93 0.23 3.14 -7.23 -1.26 -4.96 120.40 117.76 3m4o s VAL 570 Ca 0.27 -1.84 0.10 0.00 -1.81 0.00 0.00 61.98 58.70 3m4o s VAL 570 Cb -0.15 -4.16 -0.06 0.00 0.56 0.00 0.00 36.38 32.56 3m4o s VAL 570 CO 0.08 -0.87 1.54 1.55 -0.31 0.00 0.00 175.10 177.09 3m4o h PRO 571 N 8.46 0.00 0.00 4.82 0.13 -1.86 0.84 132.00 144.40 3m4o h PRO 571 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3m4o h PRO 571 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3m4o h PRO 571 CO 0.92 0.70 0.00 1.12 -0.23 0.00 0.00 178.00 180.51 3m4o h HIS 572 N 0.00 0.00 0.00 1.56 2.07 -1.89 -3.33 115.15 113.56 3m4o h HIS 572 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 3m4o h HIS 572 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3m4o h HIS 572 CO 0.00 0.00 -0.91 0.94 -3.07 0.00 0.00 177.93 174.89 3m4o n GLN 573 N -2.88 1.11 -3.61 5.12 7.27 -1.04 -4.71 117.38 118.64 3m4o n GLN 573 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 3m4o n GLN 573 Cb 0.22 -0.96 -0.06 0.00 2.41 0.00 0.00 30.24 31.85 3m4o n GLN 573 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3m4o n SER 574 N -1.46 4.30 0.00 1.69 7.64 0.26 -4.98 113.62 121.06 3m4o n SER 574 Ca 0.00 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.73 3m4o n SER 574 Cb 0.09 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3m4o n SER 574 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3m4o n PRO 575 N 2.23 0.00 -2.27 1.43 -0.05 -1.26 -4.50 135.00 130.58 3m4o n PRO 575 Ca 0.22 0.28 -0.43 0.00 -0.05 0.00 0.00 63.50 63.53 3m4o n PRO 575 Cb 0.37 -0.82 -0.02 0.00 -0.05 0.00 0.00 33.50 32.98 3m4o n PRO 575 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 175.50 175.61 3m4o s ASP 576 N -2.12 6.85 0.00 3.54 3.84 -1.26 -4.91 116.67 122.62 3m4o s ASP 576 Ca 0.00 1.92 0.00 0.00 -0.00 0.00 0.00 52.55 54.47 3m4o s ASP 576 Cb 0.00 -2.54 0.00 0.00 -1.38 0.00 0.00 42.92 39.00 3m4o s ASP 576 CO 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 175.17 174.38 3m4o n ALA 577 N 6.49 0.00 -1.56 2.11 0.00 -1.26 -4.85 120.51 121.44 3m4o n ALA 577 Ca 0.15 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 53.05 3m4o n ALA 577 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 3m4o n ALA 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3m4o n THR 578 N 0.00 0.20 -3.28 0.00 -1.04 -0.53 -4.44 114.28 105.19 3m4o n THR 578 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 3m4o n THR 578 Cb 0.00 -0.58 -0.06 0.00 -1.82 0.00 0.00 70.33 67.87 3m4o n THR 578 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m4o s ARG 579 N 0.17 3.95 -0.08 -2.82 1.70 -1.06 -0.40 118.95 120.42 3m4o s ARG 579 Ca 0.84 0.51 0.03 0.00 -0.47 0.00 0.00 55.73 56.64 3m4o s ARG 579 Cb -1.02 -2.66 -0.02 0.00 -0.57 0.00 0.00 34.95 30.68 3m4o s ARG 579 CO 0.51 0.31 -0.18 0.08 -1.08 0.00 0.00 175.30 174.94 3m4o s VAL 580 N -1.77 2.71 -0.13 4.99 1.01 -0.47 -0.33 120.40 126.42 3m4o s VAL 580 Ca 0.47 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3m4o s VAL 580 Cb -0.12 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3m4o s VAL 580 CO 0.20 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.43 3m4o s PHE 581 N -0.20 1.56 -0.28 5.22 0.40 -0.31 -2.43 117.98 121.94 3m4o s PHE 581 Ca -0.01 -0.86 0.03 0.00 -0.60 0.00 0.00 56.93 55.49 3m4o s PHE 581 Cb -0.13 -1.26 0.07 0.00 0.51 0.00 0.00 43.02 42.20 3m4o s PHE 581 CO 0.03 -0.55 -0.06 0.08 0.70 0.00 0.00 175.22 175.42 3m4o s VAL 582 N 1.68 2.27 -1.63 -0.44 1.01 -0.88 0.51 120.40 122.92 3m4o s VAL 582 Ca 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.24 3m4o s VAL 582 Cb -0.13 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3m4o s VAL 582 CO -0.08 -0.16 0.00 0.59 0.00 0.00 0.00 175.10 175.44 3m4o n ASN 583 N 4.41 -5.18 -0.17 3.32 4.13 -0.81 -2.87 115.26 118.08 3m4o n ASN 583 Ca -0.10 0.12 -0.02 0.00 1.68 0.00 0.00 54.58 56.26 3m4o n ASN 583 Cb 0.42 -4.25 -0.00 0.00 -1.54 0.00 0.00 39.78 34.40 3m4o n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m4o n GLY 584 N -0.95 0.42 3.54 7.41 0.00 -1.26 -4.89 105.19 109.46 3m4o n GLY 584 Ca -0.20 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3m4o n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4o s VAL 585 N -2.08 4.09 -0.31 1.61 1.01 -1.14 -4.89 120.40 118.70 3m4o s VAL 585 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 3m4o s VAL 585 Cb 0.00 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3m4o s VAL 585 CO 0.00 0.50 1.04 0.86 0.00 0.00 0.00 175.10 177.50 3m4o s TRP 586 N 0.23 3.17 -1.33 5.22 -0.11 -1.26 -2.08 118.94 122.77 3m4o s TRP 586 Ca -0.01 1.17 0.18 0.00 1.22 0.00 0.00 56.10 58.66 3m4o s TRP 586 Cb -0.14 -3.62 0.60 0.00 -1.50 0.00 0.00 33.47 28.82 3m4o s TRP 586 CO 0.02 -0.73 1.51 0.72 -4.62 0.00 0.00 176.95 173.86 3m4o n HIS 587 N 6.76 1.07 0.00 5.86 8.25 -1.02 -4.92 115.22 131.23 3m4o n HIS 587 Ca 0.11 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3m4o n HIS 587 Cb 0.47 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3m4o n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4o n GLY 588 N 1.09 -0.92 2.20 -1.41 0.00 -1.26 -3.64 105.19 101.25 3m4o n GLY 588 Ca 0.22 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 3m4o n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m4o n VAL 589 N 0.00 0.00 -3.52 1.61 0.31 -1.12 -1.36 118.33 114.25 3m4o n VAL 589 Ca 0.00 -1.34 -0.00 0.00 -0.01 0.00 0.00 64.34 62.99 3m4o n VAL 589 Cb 0.00 -0.02 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 3m4o n VAL 589 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3m4o s HIS 590 N -1.79 -0.94 0.09 3.52 5.04 0.46 -2.17 115.29 119.50 3m4o s HIS 590 Ca 0.11 1.65 -0.17 0.00 -1.54 0.00 0.00 55.06 55.11 3m4o s HIS 590 Cb -0.01 0.56 -0.07 0.00 0.04 0.00 0.00 32.58 33.11 3m4o s HIS 590 CO 0.07 -0.47 0.54 -0.98 -2.34 0.00 0.00 174.74 171.57 3m4o s ARG 591 N 2.52 4.09 -0.61 2.88 1.70 -1.26 -1.45 118.95 126.82 3m4o s ARG 591 Ca -0.05 0.61 -0.09 0.00 -0.47 0.00 0.00 55.73 55.74 3m4o s ARG 591 Cb -0.08 -3.13 0.01 0.00 -0.57 0.00 0.00 34.95 31.18 3m4o s ARG 591 CO -0.18 0.59 0.65 -1.71 -1.08 0.00 0.00 175.30 173.57 3m4o n ASN 592 N 1.42 -7.47 -0.36 -2.89 2.85 -1.26 -4.92 115.26 102.64 3m4o n ASN 592 Ca -0.09 0.08 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 3m4o n ASN 592 Cb 0.51 -4.80 0.26 0.00 1.24 0.00 0.00 39.78 36.99 3m4o n ASN 592 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3m4o n PRO 593 N -1.17 1.04 -0.10 1.20 -0.04 -1.26 -3.90 135.00 130.77 3m4o n PRO 593 Ca 0.01 -0.72 -0.05 0.00 -0.04 0.00 0.00 63.50 62.70 3m4o n PRO 593 Cb 0.51 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 3m4o n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m4o h ALA 594 N 3.81 0.34 0.09 0.55 0.00 -1.97 0.25 119.26 122.34 3m4o h ALA 594 Ca 0.00 0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 3m4o h ALA 594 Cb 0.60 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3m4o h ALA 594 CO 0.00 -0.38 -1.15 -0.09 0.00 0.00 0.00 179.25 177.62 3m4o h ARG 595 N 0.12 0.31 -0.34 0.00 2.43 -1.97 -3.31 114.38 111.62 3m4o h ARG 595 Ca 0.17 -0.46 0.03 0.00 -0.81 0.00 0.00 59.98 58.92 3m4o h ARG 595 Cb 0.23 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3m4o h ARG 595 CO -0.28 1.18 0.14 1.25 -1.51 0.00 0.00 179.97 180.76 3m4o h LEU 596 N 0.12 0.19 -1.28 3.80 5.85 -1.61 -3.13 115.31 119.25 3m4o h LEU 596 Ca -0.12 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3m4o h LEU 596 Cb 1.85 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.86 3m4o h LEU 596 CO 0.19 0.15 -0.05 -0.03 -0.34 0.00 0.00 178.44 178.36 3m4o h MET 597 N 0.31 0.43 -0.40 1.25 4.05 -1.03 -1.27 114.93 118.27 3m4o h MET 597 Ca 0.15 -0.09 -0.13 0.00 -0.28 0.00 0.00 59.70 59.35 3m4o h MET 597 Cb 0.09 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3m4o h MET 597 CO -0.13 0.50 -0.26 1.49 0.23 0.00 0.00 176.91 178.74 3m4o h GLU 598 N 0.41 0.82 -0.32 0.39 4.81 -1.63 -2.00 114.58 117.06 3m4o h GLU 598 Ca 0.09 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 3m4o h GLU 598 Cb 0.35 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3m4o h GLU 598 CO 0.01 0.99 -0.27 1.15 -0.73 0.00 0.00 179.01 180.16 3m4o h THR 599 N 0.71 1.27 -0.34 0.32 2.02 -1.29 -0.49 112.91 115.12 3m4o h THR 599 Ca 0.09 -1.36 -0.13 0.00 0.77 0.00 0.00 66.41 65.78 3m4o h THR 599 Cb 0.79 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3m4o h THR 599 CO 0.07 0.44 -0.32 -0.07 0.37 0.00 0.00 175.52 176.01 3m4o h LEU 600 N 0.56 0.77 0.21 2.58 3.38 -1.14 -2.45 115.31 119.22 3m4o h LEU 600 Ca 0.07 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3m4o h LEU 600 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3m4o h LEU 600 CO 0.06 1.03 -0.10 0.03 0.09 0.00 0.00 178.44 179.55 3m4o h ARG 601 N 0.62 -0.28 -0.61 1.13 3.08 -1.20 -2.98 114.38 114.15 3m4o h ARG 601 Ca 0.07 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.22 3m4o h ARG 601 Cb 0.85 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3m4o h ARG 601 CO 0.07 0.08 0.40 1.15 -1.07 0.00 0.00 179.97 180.61 3m4o h THR 602 N -0.69 0.94 0.38 2.04 2.02 -1.13 -0.17 112.91 116.30 3m4o h THR 602 Ca -0.03 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3m4o h THR 602 Cb 0.48 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3m4o h THR 602 CO 0.05 0.09 -0.33 -0.07 0.37 0.00 0.00 175.52 175.63 3m4o h LEU 603 N 0.49 -0.86 -0.58 2.58 3.38 -1.47 -2.82 115.31 116.02 3m4o h LEU 603 Ca 0.27 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.32 3m4o h LEU 603 Cb 0.43 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3m4o h LEU 603 CO -0.08 -0.47 0.38 -0.09 0.09 0.00 0.00 178.44 178.27 3m4o h ARG 604 N -0.72 0.76 -0.20 1.13 2.43 -1.11 0.30 114.38 116.97 3m4o h ARG 604 Ca -0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3m4o h ARG 604 Cb 0.63 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3m4o h ARG 604 CO -0.03 0.50 0.00 0.54 -1.51 0.00 0.00 179.97 179.47 3m4o n ARG 605 N -4.69 0.70 0.00 0.20 1.74 -0.18 -1.74 116.66 112.69 3m4o n ARG 605 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3m4o n ARG 605 Cb 0.03 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3m4o n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3m4o n LYS 606 N -0.31 2.25 0.00 5.56 4.81 -0.57 -3.19 118.16 126.70 3m4o n LYS 606 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3m4o n LYS 606 Cb 0.05 -0.95 0.00 0.00 0.02 0.00 0.00 35.03 34.15 3m4o n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m4o n GLY 607 N 2.95 1.69 0.10 3.14 0.00 0.93 -4.71 105.19 109.29 3m4o n GLY 607 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3m4o n GLY 607 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m4o n ASP 608 N 0.00 0.33 -3.92 1.61 8.00 -0.45 -3.26 116.55 118.86 3m4o n ASP 608 Ca 0.00 0.65 -0.28 0.00 0.71 0.00 0.00 54.79 55.87 3m4o n ASP 608 Cb 0.00 -0.69 -0.17 0.00 -0.02 0.00 0.00 41.12 40.25 3m4o n ASP 608 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m4o s ILE 609 N -3.31 1.11 -0.36 0.53 -1.09 -1.24 -4.92 121.20 111.92 3m4o s ILE 609 Ca -0.01 -0.41 -0.42 0.00 -2.23 0.00 0.00 60.65 57.57 3m4o s ILE 609 Cb 0.04 -1.16 -0.19 0.00 -1.58 0.00 0.00 42.46 39.57 3m4o s ILE 609 CO 0.11 0.32 1.38 -3.20 -1.23 0.00 0.00 174.94 172.33 3m4o n ASN 610 N 4.91 0.86 0.25 3.58 2.85 -1.20 -4.10 115.26 122.41 3m4o n ASN 610 Ca -0.13 1.11 0.09 0.00 -0.11 0.00 0.00 54.58 55.54 3m4o n ASN 610 Cb 0.49 -0.83 0.49 0.00 1.24 0.00 0.00 39.78 41.18 3m4o n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3m4o h PRO 611 N 4.23 0.00 0.24 1.20 0.11 -1.81 -1.05 132.00 134.93 3m4o h PRO 611 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3m4o h PRO 611 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3m4o h PRO 611 CO 0.84 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.45 3m4o h GLU 612 N 0.00 -0.32 -6.17 1.05 5.08 -1.90 -3.38 114.58 108.94 3m4o h GLU 612 Ca 0.00 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.81 3m4o h GLU 612 Cb 0.82 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3m4o h GLU 612 CO 0.00 -0.20 1.34 0.28 -1.00 0.00 0.00 179.01 179.43 3m4o n VAL 613 N -5.23 0.54 -3.21 3.13 0.31 -0.40 -4.95 118.33 108.53 3m4o n VAL 613 Ca -0.09 -0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 63.58 3m4o n VAL 613 Cb 0.16 -2.34 -0.06 0.00 -0.91 0.00 0.00 33.84 30.69 3m4o n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3m4o s SER 614 N 6.18 7.12 -0.35 4.52 1.04 -0.89 -4.93 113.70 126.39 3m4o s SER 614 Ca 0.96 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.73 3m4o s SER 614 Cb -0.45 -2.39 0.11 0.00 0.10 0.00 0.00 66.02 63.40 3m4o s SER 614 CO 0.41 0.24 0.15 -0.04 0.98 0.00 0.00 173.24 174.97 3m4o s MET 615 N -1.22 0.85 -0.35 4.02 -1.94 -1.26 -0.49 119.30 118.91 3m4o s MET 615 Ca 0.32 -1.35 -0.15 0.00 -1.71 0.00 0.00 55.69 52.80 3m4o s MET 615 Cb -0.20 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.61 3m4o s MET 615 CO 0.21 -1.05 0.36 0.42 -0.01 0.00 0.00 175.02 174.94 3m4o s ILE 616 N 1.23 5.17 -0.17 2.53 1.09 -0.06 -4.97 121.20 126.02 3m4o s ILE 616 Ca 0.13 0.00 -0.13 0.00 -1.10 0.00 0.00 60.65 59.55 3m4o s ILE 616 Cb -0.20 -3.83 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 3m4o s ILE 616 CO -0.16 -0.11 0.26 -0.60 -0.10 0.00 0.00 174.94 174.22 3m4o s ARG 617 N 2.01 4.23 -0.34 2.79 3.52 -1.26 -1.83 118.95 128.07 3m4o s ARG 617 Ca 0.11 0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 3m4o s ARG 617 Cb -0.17 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3m4o s ARG 617 CO 0.12 0.26 0.16 0.34 -0.81 0.00 0.00 175.30 175.36 3m4o s ASP 618 N 0.43 5.52 0.05 -2.12 -1.08 -0.33 -4.86 116.67 114.28 3m4o s ASP 618 Ca 0.15 -0.87 -0.18 0.00 -0.52 0.00 0.00 52.55 51.12 3m4o s ASP 618 Cb -0.13 -1.97 -0.14 0.00 -1.46 0.00 0.00 42.92 39.23 3m4o s ASP 618 CO 0.03 -0.30 1.33 0.40 0.52 0.00 0.00 175.17 177.15 3m4o h ILE 619 N 5.88 1.34 -0.00 4.11 1.08 -1.98 -2.61 117.51 125.33 3m4o h ILE 619 Ca -0.28 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 3m4o h ILE 619 Cb 1.11 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3m4o h ILE 619 CO 0.63 0.44 -0.54 0.54 -0.69 0.00 0.00 178.15 178.54 3m4o n ARG 620 N -4.41 0.35 0.00 2.37 1.74 -1.26 -2.65 116.66 112.81 3m4o n ARG 620 Ca -0.06 -0.24 0.07 0.00 -0.77 0.00 0.00 57.85 56.85 3m4o n ARG 620 Cb 0.44 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.40 3m4o n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3m4o n GLU 621 N -1.11 1.60 -3.83 5.56 4.07 -1.25 -5.03 120.64 120.66 3m4o n GLU 621 Ca 0.07 -0.89 -0.27 0.00 -0.06 0.00 0.00 57.16 56.01 3m4o n GLU 621 Cb 0.35 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.53 3m4o n GLU 621 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3m4o n LYS 622 N 0.09 -1.35 -4.07 5.31 2.85 -1.01 -4.95 118.16 115.04 3m4o n LYS 622 Ca 0.06 0.64 -0.13 0.00 -1.05 0.00 0.00 58.31 57.83 3m4o n LYS 622 Cb 0.30 -2.19 -0.12 0.00 -0.65 0.00 0.00 35.03 32.37 3m4o n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3m4o s GLU 623 N -5.27 0.48 -0.36 -1.58 2.02 -1.02 -2.56 118.70 110.41 3m4o s GLU 623 Ca 0.06 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.44 3m4o s GLU 623 Cb -0.04 -0.27 0.11 0.00 0.10 0.00 0.00 34.13 34.03 3m4o s GLU 623 CO 0.89 0.05 0.13 -1.17 0.02 0.00 0.00 175.26 175.19 3m4o s LEU 624 N -1.28 3.12 -0.15 1.80 2.96 0.55 -1.19 118.68 124.49 3m4o s LEU 624 Ca -0.08 -2.10 -0.21 0.00 -0.22 0.00 0.00 54.13 51.51 3m4o s LEU 624 Cb -0.08 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3m4o s LEU 624 CO 0.00 -0.36 0.64 -0.54 -1.32 0.00 0.00 176.35 174.77 3m4o s LYS 625 N 1.00 4.29 -0.16 1.98 1.02 -0.76 -1.17 119.74 125.94 3m4o s LYS 625 Ca 0.12 0.68 -0.04 0.00 0.02 0.00 0.00 55.97 56.76 3m4o s LYS 625 Cb -0.20 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 3m4o s LYS 625 CO -0.13 -0.12 -0.04 0.42 -0.92 0.00 0.00 175.35 174.56 3m4o s ILE 626 N 1.48 3.78 -0.08 2.17 1.01 0.18 -0.88 121.20 128.86 3m4o s ILE 626 Ca 0.31 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.58 3m4o s ILE 626 Cb -0.16 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3m4o s ILE 626 CO 0.12 0.48 -0.08 -0.36 0.00 0.00 0.00 174.94 175.10 3m4o s PHE 627 N 0.54 2.89 -0.06 3.97 2.99 0.35 -1.93 117.98 126.74 3m4o s PHE 627 Ca -0.03 -0.11 0.08 0.00 0.00 0.00 0.00 56.93 56.87 3m4o s PHE 627 Cb -0.14 -1.74 0.12 0.00 0.00 0.00 0.00 43.02 41.26 3m4o s PHE 627 CO 0.03 0.21 1.00 2.41 -0.00 0.00 0.00 175.22 178.87 3m4o n THR 628 N 2.52 1.02 -1.21 0.64 -1.04 -1.26 -2.10 114.28 112.85 3m4o n THR 628 Ca -0.18 -1.19 -0.32 0.00 -2.04 0.00 0.00 64.05 60.32 3m4o n THR 628 Cb 0.53 0.25 0.11 0.00 -1.82 0.00 0.00 70.33 69.39 3m4o n THR 628 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m4o s ASP 629 N -1.68 3.98 -0.50 8.00 -1.08 -1.26 -3.66 116.67 120.48 3m4o s ASP 629 Ca 0.14 2.16 -0.19 0.00 -0.52 0.00 0.00 52.55 54.14 3m4o s ASP 629 Cb 0.12 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 39.07 3m4o s ASP 629 CO 0.01 -2.40 0.59 0.00 0.52 0.00 0.00 175.17 173.90 3m4o s ALA 630 N -2.41 3.40 0.00 3.66 0.00 -1.26 -4.18 121.76 120.98 3m4o s ALA 630 Ca 0.69 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3m4o s ALA 630 Cb -0.24 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m4o s ALA 630 CO 0.51 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.73 3m4o n GLY 631 N 5.17 1.42 3.77 0.00 0.00 -1.23 -4.82 105.19 109.49 3m4o n GLY 631 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3m4o n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4o s ARG 632 N 0.00 4.60 0.10 1.61 0.52 -1.26 -0.70 118.95 123.82 3m4o s ARG 632 Ca 0.00 1.56 -0.18 0.00 -0.52 0.00 0.00 55.73 56.59 3m4o s ARG 632 Cb 0.00 -3.01 -0.07 0.00 0.52 0.00 0.00 34.95 32.39 3m4o s ARG 632 CO 0.00 0.24 0.57 0.08 0.02 0.00 0.00 175.30 176.22 3m4o s VAL 633 N -1.36 4.76 0.17 3.52 1.01 -1.26 0.11 120.40 127.35 3m4o s VAL 633 Ca 0.47 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 3m4o s VAL 633 Cb -0.26 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3m4o s VAL 633 CO 0.32 0.46 0.19 -0.72 0.00 0.00 0.00 175.10 175.35 3m4o s TYR 634 N -1.22 0.75 0.00 5.22 -0.85 0.32 -4.12 117.35 117.45 3m4o s TYR 634 Ca 0.32 -1.08 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 3m4o s TYR 634 Cb -0.18 -0.30 0.00 0.00 0.38 0.00 0.00 41.96 41.86 3m4o s TYR 634 CO 0.19 -0.66 0.00 2.89 -1.52 0.00 0.00 175.55 176.45 3m4o n ARG 635 N -0.21 0.71 0.00 -3.49 1.85 -0.69 -2.00 116.66 112.83 3m4o n ARG 635 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3m4o n ARG 635 Cb 0.64 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 3m4o n ARG 635 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3m4o n PRO 636 N 0.00 0.00 -4.16 2.89 -0.02 -1.25 -3.99 135.00 128.47 3m4o n PRO 636 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 3m4o n PRO 636 Cb 0.00 -0.15 -0.10 0.00 -0.02 0.00 0.00 33.50 33.23 3m4o n PRO 636 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3m4o s LEU 637 N 0.00 2.42 0.83 2.45 0.05 -0.43 -4.27 118.68 119.72 3m4o s LEU 637 Ca 0.00 -1.04 -0.12 0.00 0.05 0.00 0.00 54.13 53.02 3m4o s LEU 637 Cb 0.00 0.02 0.10 0.00 -2.05 0.00 0.00 46.19 44.26 3m4o s LEU 637 CO 0.00 -0.53 1.17 -0.36 -0.55 0.00 0.00 176.35 176.09 3m4o s PHE 638 N -3.73 1.85 0.10 3.48 2.99 -0.82 -1.87 117.98 119.98 3m4o s PHE 638 Ca 0.13 1.70 0.08 0.00 0.00 0.00 0.00 56.93 58.84 3m4o s PHE 638 Cb 0.06 -3.39 -0.04 0.00 0.00 0.00 0.00 43.02 39.65 3m4o s PHE 638 CO -0.05 -2.69 -0.16 0.42 -0.00 0.00 0.00 175.22 172.74 3m4o s ILE 639 N -2.37 2.98 -0.01 0.64 1.01 -0.70 -2.94 121.20 119.81 3m4o s ILE 639 Ca 0.70 -1.40 0.13 0.00 0.00 0.00 0.00 60.65 60.08 3m4o s ILE 639 Cb -0.25 -2.36 0.23 0.00 0.01 0.00 0.00 42.46 40.08 3m4o s ILE 639 CO 0.53 0.13 1.09 0.52 0.00 0.00 0.00 174.94 177.21 3m4o n VAL 640 N 0.86 0.07 -0.85 2.92 0.31 0.97 -0.50 118.33 122.10 3m4o n VAL 640 Ca -0.15 -0.60 -0.29 0.00 -0.01 0.00 0.00 64.34 63.29 3m4o n VAL 640 Cb 0.52 0.72 -0.02 0.00 -0.91 0.00 0.00 33.84 34.16 3m4o n VAL 640 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3m4o n GLU 641 N 0.20 0.00 0.00 5.55 4.07 -1.24 -3.92 120.64 125.30 3m4o n GLU 641 Ca 0.04 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.19 3m4o n GLU 641 Cb 0.92 -0.61 0.31 0.00 -0.06 0.00 0.00 31.44 32.00 3m4o n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3m4o n ASP 642 N 1.25 0.00 -2.85 4.31 5.68 -1.26 -3.73 116.55 119.95 3m4o n ASP 642 Ca 0.11 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3m4o n ASP 642 Cb 0.16 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 3m4o n ASP 642 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3m4o n ASP 643 N -1.10 0.00 -4.15 -1.12 8.00 -1.26 -4.46 116.55 112.46 3m4o n ASP 643 Ca 0.07 -0.56 -0.33 0.00 0.71 0.00 0.00 54.79 54.68 3m4o n ASP 643 Cb 0.06 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 40.98 3m4o n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3m4o s GLU 644 N 1.15 3.03 0.11 -1.24 0.41 -1.26 -5.02 118.70 115.88 3m4o s GLU 644 Ca 0.00 -0.82 -0.24 0.00 -0.41 0.00 0.00 54.97 53.50 3m4o s GLU 644 Cb 0.00 -2.57 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 3m4o s GLU 644 CO 0.00 -0.15 1.68 1.03 -0.49 0.00 0.00 175.26 177.33 3m4o h SER 645 N 7.78 -0.39 -1.00 -0.19 0.87 -1.92 -3.16 113.55 115.53 3m4o h SER 645 Ca -0.42 0.05 -0.58 0.00 -1.23 0.00 0.00 61.79 59.62 3m4o h SER 645 Cb 1.16 0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 62.86 3m4o h SER 645 CO 0.61 -0.19 -0.63 0.18 -0.53 0.00 0.00 176.83 176.27 3m4o n LEU 646 N -5.27 5.13 0.00 2.23 4.77 -1.26 -4.97 117.00 117.63 3m4o n LEU 646 Ca -0.06 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.08 3m4o n LEU 646 Cb 0.18 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3m4o n LEU 646 CO 0.27 2.09 0.00 0.61 -1.33 0.00 0.00 177.39 179.03 3m4o n GLY 647 N -0.66 -1.36 7.00 -0.72 0.00 -1.20 -5.17 105.19 103.08 3m4o n GLY 647 Ca 0.44 0.94 0.00 0.00 0.00 0.00 0.00 46.02 47.40 3m4o n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3m4o n HIS 648 N 0.00 -0.04 -3.43 1.61 1.44 -1.26 -4.53 115.22 109.01 3m4o n HIS 648 Ca 0.00 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.34 3m4o n HIS 648 Cb 0.00 0.02 -0.07 0.00 0.12 0.00 0.00 29.99 30.07 3m4o n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3m4o s LYS 649 N 0.00 4.26 0.02 -1.40 2.20 -1.26 -4.09 119.74 119.47 3m4o s LYS 649 Ca 0.00 0.23 -0.09 0.00 -0.36 0.00 0.00 55.97 55.75 3m4o s LYS 649 Cb 0.00 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3m4o s LYS 649 CO 0.00 0.14 0.17 -2.00 -0.36 0.00 0.00 175.35 173.30 3m4o s GLU 650 N 0.73 0.60 0.85 4.03 2.56 -1.24 -5.00 118.70 121.23 3m4o s GLU 650 Ca 0.20 -0.53 -0.13 0.00 0.00 0.00 0.00 54.97 54.51 3m4o s GLU 650 Cb -0.14 0.25 0.08 0.00 2.00 0.00 0.00 34.13 36.31 3m4o s GLU 650 CO 0.07 -0.16 0.98 1.28 -0.56 0.00 0.00 175.26 176.87 3m4o n LEU 651 N 1.02 3.00 0.03 2.70 4.77 -1.26 -3.91 117.00 123.36 3m4o n LEU 651 Ca -0.21 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 3m4o n LEU 651 Cb 0.57 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 40.14 3m4o n LEU 651 CO 0.22 -2.28 -0.18 0.11 -1.33 0.00 0.00 177.39 173.93 3m4o h LYS 652 N -1.18 0.00 -6.77 3.23 1.57 -1.10 -3.46 116.57 108.86 3m4o h LYS 652 Ca -0.45 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.81 3m4o h LYS 652 Cb 1.30 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.64 3m4o h LYS 652 CO 0.42 0.57 0.60 0.08 -0.57 0.00 0.00 179.45 180.56 3m4o s VAL 653 N -2.75 3.12 0.27 0.50 1.01 -1.26 -5.01 120.40 116.27 3m4o s VAL 653 Ca -0.02 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.01 3m4o s VAL 653 Cb 0.09 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3m4o s VAL 653 CO 0.81 0.21 0.06 0.54 0.00 0.00 0.00 175.10 176.71 3m4o n ARG 654 N 1.70 0.91 0.00 2.72 5.12 -1.26 -4.35 116.66 121.50 3m4o n ARG 654 Ca 0.02 -2.13 -0.13 0.00 -1.93 0.00 0.00 57.85 53.69 3m4o n ARG 654 Cb 0.43 0.95 -0.01 0.00 -1.16 0.00 0.00 32.46 32.67 3m4o n ARG 654 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3m4o h LYS 655 N 0.00 0.62 -0.42 5.56 3.64 -0.40 -2.72 116.57 122.85 3m4o h LYS 655 Ca -0.21 -0.47 0.12 0.00 -1.27 0.00 0.00 60.65 58.82 3m4o h LYS 655 Cb 0.74 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3m4o h LYS 655 CO 0.34 1.09 0.55 0.78 -2.27 0.00 0.00 179.45 179.94 3m4o h GLY 656 N 0.93 0.00 0.04 5.01 0.00 -1.66 0.36 103.07 107.75 3m4o h GLY 656 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 3m4o h GLY 656 CO 0.13 0.00 -0.83 0.45 0.00 0.00 0.00 176.54 176.29 3m4o h HIS 657 N 0.00 0.03 -0.84 5.60 3.86 -1.74 -3.18 115.15 118.87 3m4o h HIS 657 Ca 0.20 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.52 3m4o h HIS 657 Cb 1.30 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.71 3m4o h HIS 657 CO 0.00 1.32 0.55 0.82 0.86 0.00 0.00 177.93 181.48 3m4o h ILE 658 N -0.95 0.84 0.40 2.45 5.03 -0.79 -1.38 117.51 123.11 3m4o h ILE 658 Ca -0.22 -0.21 -0.02 0.00 -0.12 0.00 0.00 64.86 64.28 3m4o h ILE 658 Cb 1.23 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 3m4o h ILE 658 CO -0.12 0.11 -0.19 0.00 -0.68 0.00 0.00 178.15 177.27 3m4o h ALA 659 N 1.61 -0.54 -0.25 1.87 0.00 -0.53 -2.82 119.26 118.60 3m4o h ALA 659 Ca 0.42 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3m4o h ALA 659 Cb 0.72 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3m4o h ALA 659 CO -0.17 -0.67 0.45 0.87 0.00 0.00 0.00 179.25 179.72 3m4o h LYS 660 N -0.80 0.00 0.00 0.00 1.57 -1.37 0.47 116.57 116.44 3m4o h LYS 660 Ca -0.06 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 3m4o h LYS 660 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3m4o h LYS 660 CO 0.09 0.00 -0.62 -0.07 -0.57 0.00 0.00 179.45 178.28 3m4o h LEU 661 N 0.00 0.00 0.00 2.94 3.38 -1.11 -3.30 115.31 117.23 3m4o h LEU 661 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 3m4o h LEU 661 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3m4o h LEU 661 CO -0.00 0.56 -1.47 0.24 0.09 0.00 0.00 178.44 177.86 3m4o h MET 662 N 0.00 0.00 -1.46 1.13 2.86 0.15 -3.13 114.93 114.48 3m4o h MET 662 Ca -0.02 0.00 0.43 0.00 -2.06 0.00 0.00 59.70 58.06 3m4o h MET 662 Cb 1.44 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.02 3m4o h MET 662 CO 0.07 0.47 1.02 0.00 1.06 0.00 0.00 176.91 179.54 3m4o h ALA 663 N 1.17 3.20 0.01 6.32 0.00 -1.38 0.85 119.26 129.44 3m4o h ALA 663 Ca -0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 3m4o h ALA 663 Cb 1.81 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3m4o h ALA 663 CO 0.07 -1.68 -1.42 1.15 0.00 0.00 0.00 179.25 177.37 3m4o h THR 664 N 0.06 1.22 0.00 0.00 2.02 -1.67 -3.12 112.91 111.41 3m4o h THR 664 Ca 0.75 -2.99 0.00 0.00 0.77 0.00 0.00 66.41 64.94 3m4o h THR 664 Cb 2.76 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 71.79 3m4o h THR 664 CO -0.13 0.72 -0.28 -0.33 0.37 0.00 0.00 175.52 175.87 3m4o h GLU 665 N 0.01 0.00 0.04 6.66 5.08 -0.87 -3.31 114.58 122.19 3m4o h GLU 665 Ca -0.17 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.80 3m4o h GLU 665 Cb 1.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.12 3m4o h GLU 665 CO 0.11 0.00 -2.26 0.98 -1.00 0.00 0.00 179.01 176.84 3m4o n TYR 666 N -2.73 0.48 -1.14 4.33 9.36 -0.57 -3.99 117.16 122.91 3m4o n TYR 666 Ca 0.03 0.12 -0.24 0.00 3.32 0.00 0.00 57.90 61.13 3m4o n TYR 666 Cb 0.50 -1.06 -0.11 0.00 -0.63 0.00 0.00 39.34 38.05 3m4o n TYR 666 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 3m4o n GLN 667 N -3.50 2.77 -3.72 2.98 7.27 -1.18 -5.13 117.38 116.88 3m4o n GLN 667 Ca -0.41 -1.55 -0.14 0.00 0.07 0.00 0.00 57.00 54.96 3m4o n GLN 667 Cb 0.98 -2.36 -0.05 0.00 2.41 0.00 0.00 30.24 31.22 3m4o n GLN 667 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3m4o n ASP 668 N 2.97 -0.80 0.00 1.69 9.92 -1.25 -4.90 116.55 124.18 3m4o n ASP 668 Ca 0.59 -2.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.15 3m4o n ASP 668 Cb 0.61 1.67 0.00 0.00 -0.64 0.00 0.00 41.12 42.76 3m4o n ASP 668 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3m4o n GLU 678 N -0.50 0.00 -3.04 -1.24 0.28 -1.26 -5.03 120.64 109.84 3m4o n GLU 678 Ca 0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.60 3m4o n GLU 678 Cb 0.49 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.33 3m4o n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3m4o s TYR 679 N -0.50 3.09 0.39 -1.84 5.04 -1.26 -4.94 117.35 117.33 3m4o s TYR 679 Ca 0.00 -1.19 0.06 0.00 -2.44 0.00 0.00 57.07 53.50 3m4o s TYR 679 Cb 0.00 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.19 3m4o s TYR 679 CO 0.00 -1.38 0.54 0.95 -1.34 0.00 0.00 175.55 174.33 3m4o s THR 680 N 2.56 3.64 0.15 4.34 -4.23 -1.26 -4.69 115.64 116.15 3m4o s THR 680 Ca 0.21 -0.92 -0.31 0.00 -1.18 0.00 0.00 61.69 59.49 3m4o s THR 680 Cb -0.14 -3.26 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 3m4o s THR 680 CO -0.01 -0.12 1.55 -0.25 -0.54 0.00 0.00 174.62 175.26 3m4o h TRP 681 N 0.70 -1.71 -0.84 3.99 2.91 -1.96 -1.40 115.95 117.65 3m4o h TRP 681 Ca -0.44 0.10 0.19 0.00 1.13 0.00 0.00 58.89 59.87 3m4o h TRP 681 Cb 1.27 0.83 -0.16 0.00 -0.51 0.00 0.00 29.16 30.59 3m4o h TRP 681 CO 0.42 -0.44 -0.11 1.03 -1.03 0.00 0.00 178.44 178.30 3m4o h SER 682 N -0.24 -0.61 0.06 2.65 0.87 -1.94 0.92 113.55 115.26 3m4o h SER 682 Ca 0.12 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3m4o h SER 682 Cb 0.53 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3m4o h SER 682 CO -0.73 -0.26 0.00 0.77 -0.53 0.00 0.00 176.83 176.07 3m4o h SER 683 N 0.03 0.00 0.30 6.23 4.64 -1.62 0.32 113.55 123.44 3m4o h SER 683 Ca 0.44 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.45 3m4o h SER 683 Cb 0.75 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3m4o h SER 683 CO -0.82 0.00 -1.34 -0.07 -0.87 0.00 0.00 176.83 173.73 3m4o h LEU 684 N 0.00 0.77 0.75 5.97 3.38 0.11 -2.81 115.31 123.48 3m4o h LEU 684 Ca 0.00 -0.77 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 3m4o h LEU 684 Cb 0.03 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.54 3m4o h LEU 684 CO 0.00 1.59 -0.36 0.25 0.09 0.00 0.00 178.44 180.01 3m4o h LEU 685 N 0.18 -0.85 -0.95 1.67 5.85 0.01 -1.84 115.31 119.37 3m4o h LEU 685 Ca -0.20 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.68 3m4o h LEU 685 Cb 2.03 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 43.19 3m4o h LEU 685 CO 0.25 -0.53 0.58 0.78 -0.34 0.00 0.00 178.44 179.17 3m4o h ASN 686 N -1.17 0.81 0.71 1.25 2.35 -1.28 0.28 115.58 118.54 3m4o h ASN 686 Ca -0.10 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3m4o h ASN 686 Cb 0.77 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3m4o h ASN 686 CO 0.17 0.41 0.00 -0.62 -1.65 0.00 0.00 177.43 175.74 3m4o n GLU 687 N -4.70 0.05 -2.64 0.81 1.02 -1.06 -4.04 120.64 110.09 3m4o n GLU 687 Ca 0.18 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 3m4o n GLU 687 Cb 0.39 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.35 3m4o n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m4o n GLY 688 N 0.76 -0.18 0.06 0.62 0.00 0.10 -4.96 105.19 101.60 3m4o n GLY 688 Ca 0.06 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.17 3m4o n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4o n LEU 689 N -2.63 0.57 -3.94 0.99 4.77 -0.75 -4.95 117.00 111.07 3m4o n LEU 689 Ca -0.09 -0.66 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3m4o n LEU 689 Cb 0.58 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3m4o n LEU 689 CO 0.35 0.13 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.53 3m4o s VAL 690 N -1.04 0.08 0.03 4.08 1.01 -1.24 -1.72 120.40 121.60 3m4o s VAL 690 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3m4o s VAL 690 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 3m4o s VAL 690 CO 0.13 -0.38 0.04 -0.70 0.00 0.00 0.00 175.10 174.18 3m4o s GLU 691 N -1.18 0.47 -0.43 2.72 2.12 -0.78 -4.66 118.70 116.97 3m4o s GLU 691 Ca -0.13 -0.70 -0.17 0.00 0.36 0.00 0.00 54.97 54.34 3m4o s GLU 691 Cb -0.08 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.52 3m4o s GLU 691 CO -0.00 -0.10 0.40 0.71 -0.54 0.00 0.00 175.26 175.73 3m4o s TYR 692 N -2.14 3.19 -0.18 5.30 4.12 -1.26 -1.32 117.35 125.06 3m4o s TYR 692 Ca -0.09 -0.49 -0.05 0.00 0.02 0.00 0.00 57.07 56.46 3m4o s TYR 692 Cb -0.04 -2.85 -0.03 0.00 -1.52 0.00 0.00 41.96 37.52 3m4o s TYR 692 CO -0.03 -0.69 -0.01 0.42 0.02 0.00 0.00 175.55 175.26 3m4o s ILE 693 N 1.98 3.95 0.33 2.71 -1.09 -1.26 -4.85 121.20 122.97 3m4o s ILE 693 Ca 0.09 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3m4o s ILE 693 Cb -0.18 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.92 3m4o s ILE 693 CO 0.12 0.46 0.42 1.51 -1.23 0.00 0.00 174.94 176.22 3m4o s ASP 694 N 0.71 5.83 0.13 3.58 -4.77 -1.26 -1.70 116.67 119.20 3m4o s ASP 694 Ca -0.01 -0.24 -0.21 0.00 -3.30 0.00 0.00 52.55 48.79 3m4o s ASP 694 Cb -0.14 -1.21 -0.02 0.00 -1.09 0.00 0.00 42.92 40.46 3m4o s ASP 694 CO 0.02 -0.39 1.68 0.00 0.70 0.00 0.00 175.17 177.18 3m4o h ALA 695 N 0.99 0.01 -0.78 2.11 0.00 -1.89 0.24 119.26 119.94 3m4o h ALA 695 Ca -0.46 0.06 0.18 0.00 0.00 0.00 0.00 54.91 54.70 3m4o h ALA 695 Cb 1.25 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 3m4o h ALA 695 CO 0.54 -0.55 0.01 1.49 0.00 0.00 0.00 179.25 180.75 3m4o h GLU 696 N -0.12 0.10 0.01 0.00 4.57 -1.92 0.30 114.58 117.53 3m4o h GLU 696 Ca 0.10 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.07 3m4o h GLU 696 Cb 0.26 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 3m4o h GLU 696 CO -0.23 0.07 -0.95 1.49 -1.18 0.00 0.00 179.01 178.20 3m4o h GLU 697 N 0.10 0.02 -0.96 1.92 4.81 -1.77 -3.19 114.58 115.51 3m4o h GLU 697 Ca 0.43 -0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.87 3m4o h GLU 697 Cb 0.78 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.10 3m4o h GLU 697 CO -0.69 0.95 0.65 1.49 -0.73 0.00 0.00 179.01 180.68 3m4o h GLU 698 N 0.01 0.26 0.00 1.92 4.81 0.30 -1.90 114.58 119.98 3m4o h GLU 698 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3m4o h GLU 698 Cb 1.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.99 3m4o h GLU 698 CO 0.13 0.17 0.05 0.93 -0.73 0.00 0.00 179.01 179.55 3m4o h GLU 699 N 0.27 0.00 -0.02 1.92 4.39 -1.39 -2.69 114.58 117.05 3m4o h GLU 699 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3m4o h GLU 699 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3m4o h GLU 699 CO -0.15 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.57 3m4o n SER 700 N -2.41 2.45 -4.18 1.42 3.41 -0.71 -5.02 113.62 108.57 3m4o n SER 700 Ca -0.02 -3.02 -0.11 0.00 -0.26 0.00 0.00 58.87 55.46 3m4o n SER 700 Cb 0.08 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 3m4o n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3m4o s ILE 701 N -2.77 0.67 -0.22 -1.33 -0.00 -1.02 -5.03 121.20 111.51 3m4o s ILE 701 Ca 0.31 -1.94 0.02 0.00 -0.00 0.00 0.00 60.65 59.03 3m4o s ILE 701 Cb 0.27 -1.79 0.04 0.00 -0.00 0.00 0.00 42.46 40.99 3m4o s ILE 701 CO 0.03 -0.78 -0.13 -0.22 -0.00 0.00 0.00 174.94 173.84 3m4o s LEU 702 N -3.07 2.74 -0.16 0.37 2.96 -1.26 -5.00 118.68 115.26 3m4o s LEU 702 Ca 0.15 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 3m4o s LEU 702 Cb 0.05 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.26 3m4o s LEU 702 CO -0.03 -0.12 0.30 -0.63 -1.32 0.00 0.00 176.35 174.55 3m4o s ILE 703 N 1.24 5.30 0.56 6.68 1.01 -1.26 -1.95 121.20 132.77 3m4o s ILE 703 Ca -0.03 0.57 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 3m4o s ILE 703 Cb -0.17 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3m4o s ILE 703 CO -0.08 0.38 0.91 0.00 0.00 0.00 0.00 174.94 176.14 3m4o s ALA 704 N 0.53 3.25 0.00 9.38 0.00 -1.25 -4.84 121.76 128.82 3m4o s ALA 704 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3m4o s ALA 704 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.20 3m4o s ALA 704 CO 0.04 -0.59 0.00 -0.12 0.00 0.00 0.00 175.76 175.09 3m4o n MET 705 N -2.53 0.00 -3.12 0.00 1.56 -1.26 -0.13 117.12 111.64 3m4o n MET 705 Ca 0.03 0.03 -0.40 0.00 -0.27 0.00 0.00 57.70 57.09 3m4o n MET 705 Cb 0.55 -0.50 -0.05 0.00 2.15 0.00 0.00 33.22 35.37 3m4o n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3m4o s GLN 706 N -0.94 4.30 0.08 2.12 -0.21 -1.26 -4.44 119.66 119.31 3m4o s GLN 706 Ca 0.00 0.67 -0.27 0.00 0.02 0.00 0.00 55.36 55.78 3m4o s GLN 706 Cb 0.00 -3.52 -0.17 0.00 1.00 0.00 0.00 33.01 30.33 3m4o s GLN 706 CO 0.00 -0.09 1.67 -1.00 -2.12 0.00 0.00 175.29 173.75 3m4o h PRO 707 N 7.14 -0.36 0.00 2.91 0.13 -1.89 -2.61 132.00 137.32 3m4o h PRO 707 Ca -0.36 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3m4o h PRO 707 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3m4o h PRO 707 CO 0.77 -0.22 0.00 -0.85 -0.23 0.00 0.00 178.00 177.47 3m4o n GLU 708 N -5.24 0.00 0.12 0.86 0.28 -1.26 -3.21 120.64 112.19 3m4o n GLU 708 Ca -0.10 0.22 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 3m4o n GLU 708 Cb 0.17 -0.81 0.46 0.00 1.43 0.00 0.00 31.44 32.70 3m4o n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3m4o n ASP 709 N -0.53 0.52 -1.20 -1.84 8.00 -1.26 -3.31 116.55 116.93 3m4o n ASP 709 Ca 0.00 0.66 0.12 0.00 0.71 0.00 0.00 54.79 56.28 3m4o n ASP 709 Cb 0.00 -0.76 0.24 0.00 -0.02 0.00 0.00 41.12 40.58 3m4o n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m4o n LEU 710 N -2.11 3.59 -2.68 0.64 4.77 -0.98 -4.73 117.00 115.51 3m4o n LEU 710 Ca 0.01 -1.63 -0.05 0.00 -0.03 0.00 0.00 56.01 54.31 3m4o n LEU 710 Cb 0.16 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3m4o n LEU 710 CO 0.15 0.81 0.56 -1.84 -1.33 0.00 0.00 177.39 175.74 3m4o n GLU 711 N 1.53 0.75 0.00 3.23 0.28 -1.20 -4.84 120.64 120.40 3m4o n GLU 711 Ca 0.21 -1.32 0.00 0.00 -0.16 0.00 0.00 57.16 55.88 3m4o n GLU 711 Cb 0.61 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.46 3m4o n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3m4o n PRO 712 N -0.57 3.91 0.00 3.44 -0.05 -1.26 -4.98 135.00 135.50 3m4o n PRO 712 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.31 3m4o n PRO 712 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 34.21 3m4o n PRO 712 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3m4o n ALA 713 N -3.00 0.00 -2.54 0.55 0.00 -1.26 -5.11 120.51 109.15 3m4o n ALA 713 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3m4o n ALA 713 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3m4o n ALA 713 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3m4o s GLU 714 N -2.31 0.98 0.00 0.00 0.41 -1.26 -5.09 118.70 111.43 3m4o s GLU 714 Ca 0.00 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.39 3m4o s GLU 714 Cb 0.00 -0.92 0.00 0.00 -1.78 0.00 0.00 34.13 31.43 3m4o s GLU 714 CO 0.00 0.18 0.00 0.00 -0.49 0.00 0.00 175.26 174.95 3m4o n ALA 715 N 0.73 0.00 0.00 5.21 0.00 -1.26 -5.31 120.51 119.88 3m4o n ALA 715 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3m4o n ALA 715 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3m4o n ALA 715 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m4o n ASP 722 N 0.00 0.00 -4.10 0.00 5.75 -1.26 -5.37 116.55 111.57 3m4o n ASP 722 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 3m4o n ASP 722 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3m4o n ASP 722 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m4o s VAL 723 N 0.00 3.62 0.00 2.12 -7.23 -1.26 -5.05 120.40 112.60 3m4o s VAL 723 Ca 0.00 -2.77 0.00 0.00 -1.81 0.00 0.00 61.98 57.40 3m4o s VAL 723 Cb 0.00 -3.39 0.00 0.00 0.56 0.00 0.00 36.38 33.55 3m4o s VAL 723 CO 0.00 -0.84 0.00 -0.67 -0.31 0.00 0.00 175.10 173.28 3m4o n ASP 724 N 3.72 0.00 0.31 4.85 -0.08 -1.26 -4.70 116.55 119.39 3m4o n ASP 724 Ca 0.06 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.55 3m4o n ASP 724 Cb 0.38 0.00 1.11 0.00 2.34 0.00 0.00 41.12 44.96 3m4o n ASP 724 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m4o h PRO 725 N 0.00 0.00 -0.02 -0.67 0.11 -2.01 -2.50 132.00 126.91 3m4o h PRO 725 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3m4o h PRO 725 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3m4o h PRO 725 CO 0.00 0.00 -0.72 0.00 -0.21 0.00 0.00 178.00 177.07 3m4o h ALA 726 N 2.00 0.75 -2.55 -0.75 0.00 -2.03 -3.43 119.26 113.25 3m4o h ALA 726 Ca 0.00 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 3m4o h ALA 726 Cb 0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m4o h ALA 726 CO 0.00 0.84 0.59 0.15 0.00 0.00 0.00 179.25 180.84 3m4o s LYS 727 N -3.46 4.43 0.99 0.00 1.02 -0.95 -4.94 119.74 116.83 3m4o s LYS 727 Ca -0.02 1.87 -0.16 0.00 0.02 0.00 0.00 55.97 57.68 3m4o s LYS 727 Cb 0.11 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 3m4o s LYS 727 CO 0.80 -0.24 -0.21 2.89 -0.92 0.00 0.00 175.35 177.66 3m4o n ARG 728 N 3.49 -0.31 -3.59 1.68 1.85 -1.26 -4.94 116.66 113.58 3m4o n ARG 728 Ca 0.08 -0.07 -0.38 0.00 -1.00 0.00 0.00 57.85 56.48 3m4o n ARG 728 Cb 0.45 -1.47 -0.11 0.00 -1.05 0.00 0.00 32.46 30.28 3m4o n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3m4o s ILE 729 N -2.21 5.31 0.08 8.89 -1.09 -1.26 -5.07 121.20 125.85 3m4o s ILE 729 Ca 0.49 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 59.12 3m4o s ILE 729 Cb -0.17 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3m4o s ILE 729 CO 0.73 0.26 0.12 -0.60 -1.23 0.00 0.00 174.94 174.21 3m4o s ARG 730 N 1.70 3.02 0.00 2.79 3.52 -1.26 -5.09 118.95 123.63 3m4o s ARG 730 Ca 0.07 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 3m4o s ARG 730 Cb -0.16 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3m4o s ARG 730 CO 0.10 0.57 0.22 0.28 -0.81 0.00 0.00 175.30 175.67 3m4o n VAL 731 N 0.34 0.00 -2.39 7.11 0.31 -1.26 -5.06 118.33 117.38 3m4o n VAL 731 Ca -0.08 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 64.98 3m4o n VAL 731 Cb 0.52 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3m4o n VAL 731 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3m4o n SER 732 N -0.26 0.00 0.09 4.52 2.88 -1.26 -4.99 113.62 114.61 3m4o n SER 732 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3m4o n SER 732 Cb 0.00 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.90 3m4o n SER 732 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3m4o n HIS 733 N 3.12 0.58 -1.43 0.66 -0.00 -1.26 -5.01 115.22 111.89 3m4o n HIS 733 Ca 0.00 0.22 -0.50 0.00 -0.00 0.00 0.00 57.72 57.44 3m4o n HIS 733 Cb 0.00 -0.86 -0.04 0.00 -0.00 0.00 0.00 29.99 29.09 3m4o n HIS 733 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3m4o n HIS 734 N -2.03 -0.21 -1.52 4.41 8.25 -1.26 -4.61 115.22 118.25 3m4o n HIS 734 Ca 0.03 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 3m4o n HIS 734 Cb 0.23 -2.00 0.00 0.00 1.12 0.00 0.00 29.99 29.35 3m4o n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m4o n ALA 735 N 0.30 -2.36 -3.64 -1.41 0.00 -1.26 -5.03 120.51 107.11 3m4o n ALA 735 Ca 0.18 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 3m4o n ALA 735 Cb 0.22 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 3m4o n ALA 735 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3m4o s THR 736 N -0.44 3.02 0.00 0.00 2.01 -1.26 -4.68 115.64 114.29 3m4o s THR 736 Ca 0.00 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.83 3m4o s THR 736 Cb 0.00 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.88 3m4o s THR 736 CO 0.00 0.04 0.00 0.41 -0.69 0.00 0.00 174.62 174.38 3m4o n THR 737 N 4.66 0.00 0.00 -0.82 -1.04 -1.26 -5.12 114.28 110.70 3m4o n THR 737 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3m4o n THR 737 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 3m4o n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3m4o n PHE 738 N -0.54 0.00 -0.04 -1.42 0.99 -1.26 -4.85 117.46 110.33 3m4o n PHE 738 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.32 3m4o n PHE 738 Cb 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.37 3m4o n PHE 738 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 3m4o h THR 739 N 0.00 1.51 -2.52 4.37 1.35 -1.71 -3.44 112.91 112.46 3m4o h THR 739 Ca 0.00 -1.86 -0.18 0.00 -0.55 0.00 0.00 66.41 63.82 3m4o h THR 739 Cb 0.00 2.71 -0.31 0.00 -1.73 0.00 0.00 68.15 68.83 3m4o h THR 739 CO 0.00 0.46 -0.49 -1.38 -0.25 0.00 0.00 175.52 173.87 3m4o s HIS 740 N -2.80 -0.60 0.68 4.73 0.00 -1.22 -0.02 115.29 116.05 3m4o s HIS 740 Ca -0.17 1.02 -0.14 0.00 -3.00 0.00 0.00 55.06 52.77 3m4o s HIS 740 Cb -0.01 0.03 0.01 0.00 -4.00 0.00 0.00 32.58 28.61 3m4o s HIS 740 CO 0.63 -0.49 1.11 0.00 -1.00 0.00 0.00 174.74 174.98 3m4o s GLU 742 N -4.19 3.24 -0.04 0.00 2.56 0.82 -1.95 118.70 119.15 3m4o s GLU 742 Ca 0.66 1.07 -0.16 0.00 0.00 0.00 0.00 54.97 56.55 3m4o s GLU 742 Cb -0.20 -2.03 -0.09 0.00 2.00 0.00 0.00 34.13 33.81 3m4o s GLU 742 CO 0.43 -0.87 0.66 0.82 -0.56 0.00 0.00 175.26 175.74 3m4o h ILE 743 N 0.01 0.06 -1.52 -3.70 2.04 -1.89 -3.43 117.51 109.08 3m4o h ILE 743 Ca -0.46 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 64.89 3m4o h ILE 743 Cb 1.21 0.10 -0.26 0.00 -0.74 0.00 0.00 36.82 37.13 3m4o h ILE 743 CO 0.58 0.01 0.31 -2.28 0.00 0.00 0.00 178.15 176.77 3m4o s HIS 744 N -3.37 -0.66 0.32 1.37 5.04 -1.26 -4.85 115.29 111.88 3m4o s HIS 744 Ca -0.08 1.29 0.10 0.00 -1.54 0.00 0.00 55.06 54.82 3m4o s HIS 744 Cb 0.01 0.40 0.91 0.00 0.04 0.00 0.00 32.58 33.94 3m4o s HIS 744 CO 0.26 -0.33 1.71 -1.35 -2.34 0.00 0.00 174.74 172.69 3m4o h PRO 745 N 6.44 0.47 0.00 2.88 0.11 -1.92 -0.34 132.00 139.64 3m4o h PRO 745 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3m4o h PRO 745 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m4o h PRO 745 CO 0.17 0.31 0.26 -1.13 -0.21 0.00 0.00 178.00 177.40 3m4o n SER 746 N -4.96 0.34 0.00 -2.05 3.41 -1.26 -0.84 113.62 108.27 3m4o n SER 746 Ca 0.27 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.59 3m4o n SER 746 Cb 0.79 -0.53 0.75 0.00 -0.26 0.00 0.00 64.21 64.96 3m4o n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3m4o n MET 747 N -2.03 0.45 0.12 4.33 2.81 -0.14 -2.53 117.12 120.13 3m4o n MET 747 Ca -0.01 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3m4o n MET 747 Cb 0.28 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.76 3m4o n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3m4o n ILE 748 N -1.27 0.82 -3.22 2.02 -5.35 -0.02 -3.58 119.36 108.77 3m4o n ILE 748 Ca 0.14 0.19 -0.28 0.00 -0.27 0.00 0.00 62.75 62.54 3m4o n ILE 748 Cb 0.23 -1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 37.00 3m4o n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3m4o s LEU 749 N -4.34 3.97 0.59 7.28 1.43 -1.05 -4.06 118.68 122.50 3m4o s LEU 749 Ca 0.05 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 3m4o s LEU 749 Cb 0.10 -3.57 0.07 0.00 0.03 0.00 0.00 46.19 42.82 3m4o s LEU 749 CO 0.40 -0.28 0.82 -0.83 0.23 0.00 0.00 176.35 176.68 3m4o s GLY 750 N -3.47 1.81 0.38 -3.19 0.00 -1.26 -0.16 107.32 101.42 3m4o s GLY 750 Ca 0.44 -1.65 0.21 0.00 0.00 0.00 0.00 44.72 43.73 3m4o s GLY 750 CO 0.33 -1.26 1.62 -2.08 0.00 0.00 0.00 173.10 171.72 3m4o h VAL 751 N -0.02 0.15 0.17 1.40 2.07 -1.91 -1.44 116.25 116.66 3m4o h VAL 751 Ca -0.38 -0.05 -0.28 0.00 0.82 0.00 0.00 66.70 66.81 3m4o h VAL 751 Cb 1.28 -0.01 0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3m4o h VAL 751 CO 0.45 0.03 -1.34 0.00 0.02 0.00 0.00 177.57 176.73 3m4o h ALA 752 N 1.83 0.01 -0.34 1.67 0.00 -1.90 -3.36 119.26 117.17 3m4o h ALA 752 Ca 0.80 -0.94 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3m4o h ALA 752 Cb 2.13 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 20.20 3m4o h ALA 752 CO -0.61 0.71 -0.06 0.00 0.00 0.00 0.00 179.25 179.29 3m4o h ALA 753 N 0.07 1.27 0.00 0.00 0.00 -1.78 -2.94 119.26 115.87 3m4o h ALA 753 Ca -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3m4o h ALA 753 Cb 1.91 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3m4o h ALA 753 CO 0.16 0.49 0.00 0.43 0.00 0.00 0.00 179.25 180.33 3m4o n SER 754 N -4.23 0.00 -0.01 0.00 7.64 -0.59 -1.47 113.62 114.96 3m4o n SER 754 Ca 0.01 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.95 3m4o n SER 754 Cb 0.29 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.35 3m4o n SER 754 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3m4o h ILE 755 N 0.00 0.91 -3.06 0.44 1.08 -1.73 -3.40 117.51 111.76 3m4o h ILE 755 Ca 0.00 -2.74 -0.54 0.00 -0.39 0.00 0.00 64.86 61.18 3m4o h ILE 755 Cb 0.00 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.21 3m4o h ILE 755 CO 0.00 0.56 0.70 -0.63 -0.69 0.00 0.00 178.15 178.09 3m4o s ILE 756 N -2.61 3.99 0.24 -0.67 1.01 -0.54 -4.64 121.20 117.99 3m4o s ILE 756 Ca -0.05 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.67 3m4o s ILE 756 Cb 0.08 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 3m4o s ILE 756 CO 0.82 0.03 0.94 -2.16 0.00 0.00 0.00 174.94 174.57 3m4o s PRO 757 N 1.91 4.85 -1.42 2.79 0.04 -1.26 -3.89 135.00 138.02 3m4o s PRO 757 Ca 0.59 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 63.05 3m4o s PRO 757 Cb -0.28 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.99 3m4o s PRO 757 CO 0.26 0.51 0.30 1.19 0.04 0.00 0.00 177.00 179.30 3m4o n PHE 758 N 1.47 -1.45 1.43 0.56 3.01 -0.14 -4.78 117.46 117.55 3m4o n PHE 758 Ca -0.02 0.56 0.14 0.00 1.01 0.00 0.00 57.45 59.14 3m4o n PHE 758 Cb 0.47 -3.15 0.74 0.00 -0.01 0.00 0.00 39.48 37.52 3m4o n PHE 758 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3m4o n PRO 759 N -4.57 0.51 0.00 -1.08 -0.04 -1.25 -0.93 135.00 127.64 3m4o n PRO 759 Ca -0.27 0.02 0.14 0.00 -0.04 0.00 0.00 63.50 63.34 3m4o n PRO 759 Cb 0.67 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 33.10 3m4o n PRO 759 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3m4o n ASP 760 N -1.22 1.48 -1.67 3.54 5.75 -1.26 -3.51 116.55 119.66 3m4o n ASP 760 Ca 0.15 -1.40 0.07 0.00 -0.01 0.00 0.00 54.79 53.61 3m4o n ASP 760 Cb 0.19 0.03 0.37 0.00 -1.03 0.00 0.00 41.12 40.69 3m4o n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3m4o n HIS 761 N 0.06 1.83 -4.53 2.11 8.25 -0.10 -5.00 115.22 117.83 3m4o n HIS 761 Ca 0.17 -0.77 -0.24 0.00 -0.26 0.00 0.00 57.72 56.63 3m4o n HIS 761 Cb 0.37 -0.47 -0.16 0.00 1.12 0.00 0.00 29.99 30.84 3m4o n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3m4o s ASN 762 N -1.06 1.65 0.08 0.41 0.02 -1.23 -3.25 114.94 111.55 3m4o s ASN 762 Ca 0.52 -0.27 -0.34 0.00 -1.02 0.00 0.00 52.86 51.75 3m4o s ASN 762 Cb 0.40 -0.74 -0.13 0.00 0.02 0.00 0.00 41.25 40.80 3m4o s ASN 762 CO 0.14 0.03 1.69 1.67 0.02 0.00 0.00 177.10 180.65 3m4o n GLN 763 N 3.78 2.18 -0.16 -0.60 7.27 -1.26 -4.84 117.38 123.75 3m4o n GLN 763 Ca -0.23 0.79 -0.13 0.00 0.07 0.00 0.00 57.00 57.50 3m4o n GLN 763 Cb 0.52 -2.59 -0.09 0.00 2.41 0.00 0.00 30.24 30.48 3m4o n GLN 763 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 3m4o h SER 764 N 7.10 -1.84 -1.39 1.69 0.02 -1.96 -1.31 113.55 115.86 3m4o h SER 764 Ca -0.46 0.25 0.41 0.00 -0.84 0.00 0.00 61.79 61.14 3m4o h SER 764 Cb 1.26 0.76 -0.07 0.00 0.14 0.00 0.00 62.40 64.50 3m4o h SER 764 CO 0.91 -0.39 0.99 1.55 -1.14 0.00 0.00 176.83 178.75 3m4o h PRO 765 N -0.36 0.04 -0.01 3.45 0.13 -1.99 -0.97 132.00 132.28 3m4o h PRO 765 Ca 0.09 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.24 3m4o h PRO 765 Cb 0.59 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 3m4o h PRO 765 CO -0.62 0.03 -0.11 0.00 -0.23 0.00 0.00 178.00 177.06 3m4o h ARG 766 N 0.04 -0.18 -0.88 0.86 2.47 -1.58 -1.65 114.38 113.46 3m4o h ARG 766 Ca 0.69 0.01 0.21 0.00 -1.26 0.00 0.00 59.98 59.62 3m4o h ARG 766 Cb 2.63 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 30.87 3m4o h ARG 766 CO -0.06 -0.12 0.39 -0.91 0.56 0.00 0.00 179.97 179.82 3m4o h ASN 767 N -0.18 0.34 -0.88 7.04 2.35 -1.33 0.89 115.58 123.80 3m4o h ASN 767 Ca 0.04 0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 3m4o h ASN 767 Cb 0.24 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 3m4o h ASN 767 CO -0.12 0.03 0.58 0.74 -1.65 0.00 0.00 177.43 177.01 3m4o h THR 768 N 0.42 1.13 0.37 2.81 2.02 -1.32 0.22 112.91 118.57 3m4o h THR 768 Ca 0.54 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3m4o h THR 768 Cb 0.98 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3m4o h THR 768 CO -0.51 0.20 -0.18 1.88 0.37 0.00 0.00 175.52 177.28 3m4o h TYR 769 N 1.08 -0.46 -0.99 3.16 -1.99 -0.54 -2.54 116.97 114.68 3m4o h TYR 769 Ca 0.36 -0.01 0.29 0.00 2.00 0.00 0.00 58.73 61.36 3m4o h TYR 769 Cb 0.06 0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 3m4o h TYR 769 CO -0.00 -0.29 1.17 0.37 -0.00 0.00 0.00 178.16 179.41 3m4o h GLN 770 N -0.77 0.00 0.12 4.88 5.75 -0.94 0.54 115.11 124.70 3m4o h GLN 770 Ca -0.05 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.17 3m4o h GLN 770 Cb 0.38 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.94 3m4o h GLN 770 CO 0.08 0.00 -1.29 0.77 -2.65 0.00 0.00 178.83 175.75 3m4o h SER 771 N 0.00 0.41 0.65 -0.69 0.02 -0.57 -2.56 113.55 110.82 3m4o h SER 771 Ca 0.47 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3m4o h SER 771 Cb 2.80 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 65.20 3m4o h SER 771 CO -0.00 1.36 -0.18 0.00 -1.14 0.00 0.00 176.83 176.87 3m4o n ALA 772 N -2.55 2.82 -0.09 3.77 0.00 0.18 -4.34 120.51 120.30 3m4o n ALA 772 Ca -0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 3m4o n ALA 772 Cb 1.03 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 3m4o n ALA 772 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3m4o n MET 773 N -1.33 0.52 -0.04 0.00 2.00 -0.85 -4.10 117.12 113.32 3m4o n MET 773 Ca 0.09 0.38 0.16 0.00 0.00 0.00 0.00 57.70 58.33 3m4o n MET 773 Cb 0.32 -1.58 0.25 0.00 0.00 0.00 0.00 33.22 32.21 3m4o n MET 773 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3m4o n GLY 774 N 1.48 -0.56 0.00 3.03 0.00 -0.97 0.33 105.19 108.49 3m4o n GLY 774 Ca -0.21 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3m4o n GLY 774 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4o n LYS 775 N -2.67 0.22 -0.12 1.61 5.02 -1.26 -3.21 118.16 117.75 3m4o n LYS 775 Ca 0.13 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.50 3m4o n LYS 775 Cb 1.13 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.70 3m4o n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3m4o n GLN 776 N -1.38 1.40 -2.74 1.97 6.02 0.99 -4.65 117.38 118.99 3m4o n GLN 776 Ca 0.10 -1.76 -0.42 0.00 -0.01 0.00 0.00 57.00 54.91 3m4o n GLN 776 Cb 0.26 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 3m4o n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m4o s ALA 777 N -1.51 3.00 0.17 -1.58 0.00 -0.81 -0.82 121.76 120.21 3m4o s ALA 777 Ca 0.14 -2.00 -0.29 0.00 0.00 0.00 0.00 51.96 49.80 3m4o s ALA 777 Cb 0.12 -4.13 -0.17 0.00 0.00 0.00 0.00 23.12 18.94 3m4o s ALA 777 CO 0.01 -3.11 0.59 -0.12 0.00 0.00 0.00 175.76 173.14 3m4o n MET 778 N 8.12 0.00 -3.12 0.00 1.56 -1.01 -4.62 117.12 118.05 3m4o n MET 778 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 3m4o n MET 778 Cb 0.48 -1.06 0.00 0.00 2.15 0.00 0.00 33.22 34.79 3m4o n MET 778 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3m4o n GLY 779 N 1.90 -0.66 3.58 -5.12 0.00 -1.26 -3.88 105.19 99.74 3m4o n GLY 779 Ca 0.18 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3m4o n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m4o s VAL 780 N -3.00 4.69 -0.14 1.61 1.01 -1.25 -3.97 120.40 119.35 3m4o s VAL 780 Ca 0.00 0.79 0.22 0.00 0.00 0.00 0.00 61.98 62.99 3m4o s VAL 780 Cb 0.00 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 3m4o s VAL 780 CO 0.00 -0.53 0.77 2.22 0.00 0.00 0.00 175.10 177.56 3m4o n PHE 781 N 6.55 0.52 -3.56 5.22 1.16 -1.26 -4.02 117.46 122.07 3m4o n PHE 781 Ca 0.03 0.15 -0.15 0.00 -1.87 0.00 0.00 57.45 55.61 3m4o n PHE 781 Cb 0.48 -0.76 -0.06 0.00 -1.61 0.00 0.00 39.48 37.53 3m4o n PHE 781 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3m4o s LEU 782 N -5.00 -0.64 0.04 5.98 1.43 -1.26 -4.32 118.68 114.90 3m4o s LEU 782 Ca -0.04 0.90 0.11 0.00 -1.03 0.00 0.00 54.13 54.07 3m4o s LEU 782 Cb 0.11 2.40 0.48 0.00 0.03 0.00 0.00 46.19 49.22 3m4o s LEU 782 CO 0.85 -0.45 1.35 0.41 0.23 0.00 0.00 176.35 178.74 3m4o n THR 783 N 1.47 1.31 -1.34 5.49 -1.04 -1.26 -3.20 114.28 115.71 3m4o n THR 783 Ca -0.16 0.36 -0.21 0.00 -2.04 0.00 0.00 64.05 62.00 3m4o n THR 783 Cb 0.56 -1.22 0.16 0.00 -1.82 0.00 0.00 70.33 68.02 3m4o n THR 783 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3m4o n ASN 784 N -1.61 4.03 0.10 8.00 6.94 -1.26 -4.66 115.26 126.80 3m4o n ASN 784 Ca 0.02 -3.69 0.02 0.00 -0.02 0.00 0.00 54.58 50.90 3m4o n ASN 784 Cb 0.11 -0.79 0.36 0.00 -2.36 0.00 0.00 39.78 37.11 3m4o n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3m4o h TYR 785 N 1.19 0.29 0.06 -2.53 -0.00 -1.90 -0.71 116.97 113.38 3m4o h TYR 785 Ca 0.52 -0.04 0.02 0.00 0.00 0.00 0.00 58.73 59.24 3m4o h TYR 785 Cb 2.21 -0.08 -0.04 0.00 0.00 0.00 0.00 36.73 38.82 3m4o h TYR 785 CO 1.41 0.41 -0.27 -0.97 -0.00 0.00 0.00 178.16 178.75 3m4o h ASN 786 N 0.26 -0.77 -0.12 0.10 -1.24 -1.91 -3.20 115.58 108.70 3m4o h ASN 786 Ca 0.05 0.10 -0.10 0.00 0.71 0.00 0.00 56.30 57.06 3m4o h ASN 786 Cb 0.41 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.76 3m4o h ASN 786 CO 0.02 -0.34 -0.32 0.58 -1.29 0.00 0.00 177.43 176.08 3m4o h VAL 787 N -0.44 1.38 -4.18 2.57 2.07 -1.80 -3.45 116.25 112.40 3m4o h VAL 787 Ca 0.04 -1.62 -0.53 0.00 0.82 0.00 0.00 66.70 65.42 3m4o h VAL 787 Cb 0.50 2.09 0.19 0.00 -1.52 0.00 0.00 31.29 32.55 3m4o h VAL 787 CO -0.19 0.48 0.25 0.54 0.02 0.00 0.00 177.57 178.67 3m4o n ARG 788 N -4.39 -0.05 -3.83 1.57 1.74 -0.32 -5.04 116.66 106.34 3m4o n ARG 788 Ca -0.07 0.06 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3m4o n ARG 788 Cb 0.49 -2.39 -0.16 0.00 -1.02 0.00 0.00 32.46 29.37 3m4o n ARG 788 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3m4o s MET 789 N -4.24 1.12 0.05 5.56 -1.94 -1.26 -4.91 119.30 113.68 3m4o s MET 789 Ca 0.71 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 3m4o s MET 789 Cb -0.27 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.52 3m4o s MET 789 CO 0.54 -0.51 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.41 3m4o s ASP 790 N 1.71 1.31 -0.94 3.03 1.01 -1.26 -4.99 116.67 116.53 3m4o s ASP 790 Ca -0.00 -0.55 -0.24 0.00 0.71 0.00 0.00 52.55 52.47 3m4o s ASP 790 Cb -0.16 -0.02 -0.00 0.00 1.01 0.00 0.00 42.92 43.74 3m4o s ASP 790 CO -0.07 -0.11 1.73 -0.89 0.21 0.00 0.00 175.17 176.03 3m4o s THR 791 N -1.22 3.65 0.00 -1.27 2.01 -1.26 -3.56 115.64 114.00 3m4o s THR 791 Ca -0.05 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3m4o s THR 791 Cb -0.09 -4.46 0.00 0.00 0.01 0.00 0.00 72.50 67.95 3m4o s THR 791 CO 0.01 -1.38 0.00 0.80 -0.69 0.00 0.00 174.62 173.36 3m4o n MET 792 N 8.88 0.00 -3.65 4.92 0.00 -1.14 -4.87 117.12 121.26 3m4o n MET 792 Ca 0.36 0.17 -0.03 0.00 -0.00 0.00 0.00 57.70 58.20 3m4o n MET 792 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.66 3m4o n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3m4o s ALA 793 N -0.07 -1.94 -0.08 -5.12 0.00 -0.39 -4.98 121.76 109.18 3m4o s ALA 793 Ca 0.00 2.30 0.03 0.00 0.00 0.00 0.00 51.96 54.29 3m4o s ALA 793 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 3m4o s ALA 793 CO 0.00 -0.79 -0.15 -0.80 0.00 0.00 0.00 175.76 174.02 3m4o s ASN 794 N 2.58 3.88 -0.03 0.00 0.02 -1.26 -1.28 114.94 118.85 3m4o s ASN 794 Ca -0.07 -0.29 0.04 0.00 -1.02 0.00 0.00 52.86 51.53 3m4o s ASN 794 Cb -0.10 -1.12 -0.00 0.00 0.02 0.00 0.00 41.25 40.04 3m4o s ASN 794 CO -0.19 0.27 -0.16 -0.63 0.02 0.00 0.00 177.10 176.41 3m4o s ILE 795 N -0.26 1.29 0.25 0.60 1.09 -0.89 -4.05 121.20 119.23 3m4o s ILE 795 Ca 0.01 -0.65 -0.30 0.00 -1.10 0.00 0.00 60.65 58.61 3m4o s ILE 795 Cb -0.13 -1.11 -0.10 0.00 -1.06 0.00 0.00 42.46 40.06 3m4o s ILE 795 CO 0.03 0.37 1.48 -0.22 -0.10 0.00 0.00 174.94 176.50 3m4o s LEU 796 N -0.03 4.38 0.42 2.97 2.96 -1.25 -0.34 118.68 127.78 3m4o s LEU 796 Ca -0.01 2.71 0.18 0.00 -0.22 0.00 0.00 54.13 56.79 3m4o s LEU 796 Cb -0.10 -3.62 0.94 0.00 0.50 0.00 0.00 46.19 43.91 3m4o s LEU 796 CO 0.01 -0.75 1.90 1.88 -1.32 0.00 0.00 176.35 178.06 3m4o h TYR 797 N 5.19 0.00 -0.70 5.38 -1.99 -1.47 -3.37 116.97 120.01 3m4o h TYR 797 Ca -0.46 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 59.95 3m4o h TYR 797 Cb 1.22 0.00 -0.31 0.00 2.00 0.00 0.00 36.73 39.64 3m4o h TYR 797 CO 0.60 0.28 -0.90 0.66 -0.00 0.00 0.00 178.16 178.81 3m4o n TYR 798 N -3.90 -0.23 -0.85 4.88 4.02 -1.26 -5.07 117.16 114.74 3m4o n TYR 798 Ca -0.02 -2.55 -0.27 0.00 -0.01 0.00 0.00 57.90 55.05 3m4o n TYR 798 Cb 0.36 0.34 -0.00 0.00 -0.02 0.00 0.00 39.34 40.02 3m4o n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3m4o n PRO 799 N -0.20 0.00 -4.03 -0.72 -0.01 -1.26 -4.93 135.00 123.85 3m4o n PRO 799 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 63.50 63.40 3m4o n PRO 799 Cb 0.82 -0.66 -0.15 0.00 -0.01 0.00 0.00 33.50 33.50 3m4o n PRO 799 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 3m4o s GLN 800 N -0.66 0.28 -0.19 -0.52 -0.21 -1.09 -5.02 119.66 112.26 3m4o s GLN 800 Ca 0.39 -0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.40 3m4o s GLN 800 Cb -0.41 -0.31 -0.03 0.00 1.00 0.00 0.00 33.01 33.25 3m4o s GLN 800 CO 0.41 0.03 1.65 -1.59 -2.12 0.00 0.00 175.29 173.67 3m4o s LYS 801 N 0.17 3.84 0.64 2.91 -2.85 -1.26 -4.73 119.74 118.46 3m4o s LYS 801 Ca -0.01 1.78 -0.18 0.00 -1.00 0.00 0.00 55.97 56.56 3m4o s LYS 801 Cb -0.04 -4.04 -0.14 0.00 -2.06 0.00 0.00 37.83 31.55 3m4o s LYS 801 CO -0.00 -1.24 -0.19 -0.35 0.10 0.00 0.00 175.35 173.67 3m4o n PRO 802 N 7.60 0.05 0.07 1.78 -0.04 -1.26 -4.91 135.00 138.28 3m4o n PRO 802 Ca 0.19 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 3m4o n PRO 802 Cb 0.45 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.73 3m4o n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3m4o h LEU 803 N -0.26 0.00 -8.21 1.53 3.38 -1.94 -3.42 115.31 106.39 3m4o h LEU 803 Ca -0.42 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.88 3m4o h LEU 803 Cb 1.40 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.85 3m4o h LEU 803 CO 0.38 0.76 -0.74 -0.83 0.09 0.00 0.00 178.44 178.10 3m4o s GLY 804 N -4.71 1.62 0.05 0.83 0.00 -1.26 -0.40 107.32 103.46 3m4o s GLY 804 Ca 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 44.72 43.41 3m4o s GLY 804 CO 0.80 0.50 -0.19 -0.51 0.00 0.00 0.00 173.10 173.70 3m4o s THR 805 N 1.37 2.76 0.44 0.90 -4.23 0.16 -4.76 115.64 112.27 3m4o s THR 805 Ca 0.02 -1.25 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 3m4o s THR 805 Cb -0.16 -2.17 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 3m4o s THR 805 CO -0.04 0.30 1.07 -0.89 -0.54 0.00 0.00 174.62 174.52 3m4o s THR 806 N -0.95 3.62 0.01 3.99 2.01 -1.26 -1.55 115.64 121.50 3m4o s THR 806 Ca 0.15 1.16 0.28 0.00 0.31 0.00 0.00 61.69 63.59 3m4o s THR 806 Cb -0.10 -3.56 0.28 0.00 0.01 0.00 0.00 72.50 69.12 3m4o s THR 806 CO 0.06 -0.06 1.85 0.03 -0.69 0.00 0.00 174.62 175.81 3m4o h ARG 807 N 2.14 0.00 -0.23 4.92 2.47 -1.89 -2.74 114.38 119.05 3m4o h ARG 807 Ca -0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3m4o h ARG 807 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3m4o h ARG 807 CO 0.61 0.00 0.00 0.00 0.56 0.00 0.00 179.97 181.14 3m4o n ALA 808 N -1.86 2.45 0.14 0.04 0.00 -1.26 -3.89 120.51 116.14 3m4o n ALA 808 Ca -0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 53.44 52.61 3m4o n ALA 808 Cb 0.06 -0.90 0.20 0.00 0.00 0.00 0.00 19.45 18.81 3m4o n ALA 808 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3m4o h MET 809 N 4.15 0.00 -0.72 0.00 2.86 -1.69 -2.90 114.93 116.64 3m4o h MET 809 Ca 0.00 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 3m4o h MET 809 Cb 0.90 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.46 3m4o h MET 809 CO 0.00 0.58 0.18 1.49 1.06 0.00 0.00 176.91 180.22 3m4o h GLU 810 N 0.00 0.27 0.00 1.72 4.57 -1.78 -1.67 114.58 117.70 3m4o h GLU 810 Ca -0.01 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 3m4o h GLU 810 Cb 1.05 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3m4o h GLU 810 CO 0.08 0.18 -0.93 1.88 -1.18 0.00 0.00 179.01 179.04 3m4o h TYR 811 N 0.28 0.00 -0.00 0.92 -1.99 -1.82 -3.27 116.97 111.09 3m4o h TYR 811 Ca 0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.13 3m4o h TYR 811 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.40 3m4o h TYR 811 CO -0.25 0.39 -0.01 1.28 -0.00 0.00 0.00 178.16 179.57 3m4o n LEU 812 N -2.97 0.14 -1.57 3.88 7.99 -0.70 -4.90 117.00 118.87 3m4o n LEU 812 Ca -0.03 0.04 -0.20 0.00 -0.01 0.00 0.00 56.01 55.81 3m4o n LEU 812 Cb 0.72 -0.09 -0.09 0.00 -0.11 0.00 0.00 43.42 43.86 3m4o n LEU 812 CO 0.41 0.02 -0.19 0.29 -1.51 0.00 0.00 177.39 176.41 3m4o n LYS 813 N -0.99 -1.45 0.04 3.23 4.76 -0.76 -4.84 118.16 118.15 3m4o n LYS 813 Ca 0.20 1.19 -0.13 0.00 -2.87 0.00 0.00 58.31 56.71 3m4o n LYS 813 Cb 0.17 -5.57 -0.09 0.00 -1.84 0.00 0.00 35.03 27.71 3m4o n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3m4o h PHE 814 N 0.00 -0.10 -0.69 2.13 3.57 -1.71 0.77 116.94 120.91 3m4o h PHE 814 Ca -0.41 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.29 3m4o h PHE 814 Cb 1.32 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 40.07 3m4o h PHE 814 CO 0.57 0.24 0.69 0.00 -2.23 0.00 0.00 178.31 177.58 3m4o h ARG 815 N -0.45 0.00 0.01 1.11 2.47 -1.92 0.13 114.38 115.73 3m4o h ARG 815 Ca -0.01 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.36 3m4o h ARG 815 Cb 0.38 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.64 3m4o h ARG 815 CO 0.02 0.00 -2.14 0.39 0.56 0.00 0.00 179.97 178.80 3m4o n GLU 816 N -3.69 0.67 -3.19 0.04 4.71 -0.78 -4.49 120.64 113.91 3m4o n GLU 816 Ca 0.14 0.13 -0.22 0.00 -0.01 0.00 0.00 57.16 57.20 3m4o n GLU 816 Cb 0.93 -1.63 -0.05 0.00 -1.01 0.00 0.00 31.44 29.68 3m4o n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3m4o n LEU 817 N -2.96 1.24 -4.91 -4.62 4.32 0.19 -5.10 117.00 105.16 3m4o n LEU 817 Ca -0.29 -4.99 -0.27 0.00 -0.02 0.00 0.00 56.01 50.44 3m4o n LEU 817 Cb 1.10 0.41 0.02 0.00 -1.62 0.00 0.00 43.42 43.32 3m4o n LEU 817 CO 0.42 2.18 0.50 -2.16 -1.22 0.00 0.00 177.39 177.12 3m4o s PRO 818 N -2.03 3.24 -0.29 3.23 0.05 0.33 -4.69 135.00 134.84 3m4o s PRO 818 Ca 0.39 0.13 -0.03 0.00 0.05 0.00 0.00 61.00 61.55 3m4o s PRO 818 Cb 0.25 -2.31 0.10 0.00 0.05 0.00 0.00 34.50 32.59 3m4o s PRO 818 CO -0.09 -0.47 0.11 0.00 0.05 0.00 0.00 177.00 176.60 3m4o s ALA 819 N -2.89 1.02 0.00 8.56 0.00 -1.26 -3.90 121.76 123.29 3m4o s ALA 819 Ca 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3m4o s ALA 819 Cb -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.55 3m4o s ALA 819 CO 0.46 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 175.01 3m4o n GLY 820 N 5.07 4.60 3.30 0.00 0.00 -1.25 -4.72 105.19 112.19 3m4o n GLY 820 Ca -0.05 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3m4o n GLY 820 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m4o s GLN 821 N -3.74 1.75 -1.48 1.61 0.74 -0.69 -2.66 119.66 115.19 3m4o s GLN 821 Ca 0.00 -1.00 -0.13 0.00 0.05 0.00 0.00 55.36 54.28 3m4o s GLN 821 Cb 0.00 -1.84 0.02 0.00 1.10 0.00 0.00 33.01 32.29 3m4o s GLN 821 CO 0.00 0.48 2.37 -1.71 -0.55 0.00 0.00 175.29 175.88 3m4o n ASN 822 N 2.00 5.12 -4.79 6.67 2.85 -1.26 -2.40 115.26 123.45 3m4o n ASN 822 Ca -0.17 -2.81 -0.35 0.00 -0.11 0.00 0.00 54.58 51.14 3m4o n ASN 822 Cb 0.52 -1.62 -0.06 0.00 1.24 0.00 0.00 39.78 39.86 3m4o n ASN 822 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3m4o s ALA 823 N 2.66 3.13 -0.40 5.20 0.00 -1.25 -4.61 121.76 126.49 3m4o s ALA 823 Ca 0.52 0.51 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3m4o s ALA 823 Cb 0.15 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3m4o s ALA 823 CO -0.08 0.09 1.41 0.42 0.00 0.00 0.00 175.76 177.61 3m4o s ILE 824 N -1.82 3.91 -0.25 0.00 -1.09 -1.26 -1.80 121.20 118.89 3m4o s ILE 824 Ca 0.56 0.94 -0.09 0.00 -2.23 0.00 0.00 60.65 59.83 3m4o s ILE 824 Cb -0.16 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 3m4o s ILE 824 CO 0.21 -0.72 0.13 -0.69 -1.23 0.00 0.00 174.94 172.64 3m4o s VAL 825 N 5.36 4.93 -0.23 2.92 1.01 0.15 -1.04 120.40 133.51 3m4o s VAL 825 Ca 0.61 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 3m4o s VAL 825 Cb -0.14 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3m4o s VAL 825 CO 0.32 0.32 0.21 0.00 0.00 0.00 0.00 175.10 175.94 3m4o s ALA 826 N 1.45 3.60 -0.49 5.51 0.00 0.28 -1.94 121.76 130.17 3m4o s ALA 826 Ca 0.06 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 3m4o s ALA 826 Cb -0.15 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.65 3m4o s ALA 826 CO 0.06 -0.21 0.55 0.42 0.00 0.00 0.00 175.76 176.58 3m4o s ILE 827 N 1.09 5.00 0.10 0.00 1.01 -0.67 -0.77 121.20 126.96 3m4o s ILE 827 Ca 0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 3m4o s ILE 827 Cb -0.14 -4.24 0.07 0.00 0.01 0.00 0.00 42.46 38.16 3m4o s ILE 827 CO 0.05 -0.73 0.63 0.00 0.00 0.00 0.00 174.94 174.89 3m4o s ALA 828 N 2.30 -1.65 -0.24 9.38 0.00 -0.95 -4.04 121.76 126.55 3m4o s ALA 828 Ca 0.11 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 3m4o s ALA 828 Cb -0.21 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3m4o s ALA 828 CO 0.10 -0.66 0.79 0.00 0.00 0.00 0.00 175.76 176.00 3m4o n TYR 830 N 5.95 0.00 0.45 0.00 9.36 -1.26 -4.86 117.16 126.81 3m4o n TYR 830 Ca 0.04 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.35 3m4o n TYR 830 Cb 0.48 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.54 3m4o n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3m4o n SER 831 N 0.00 0.19 0.00 2.98 3.41 -1.26 -4.82 113.62 114.12 3m4o n SER 831 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3m4o n SER 831 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3m4o n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m4o n GLY 832 N -0.07 0.55 0.17 5.00 0.00 -1.26 -4.91 105.19 104.67 3m4o n GLY 832 Ca 0.03 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.58 3m4o n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m4o n TYR 833 N -2.77 0.01 -1.61 1.61 4.02 -1.26 -4.15 117.16 113.00 3m4o n TYR 833 Ca 0.00 -0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 3m4o n TYR 833 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.43 3m4o n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3m4o n ASN 834 N -0.58 4.68 -4.96 7.72 6.94 -1.26 -4.20 115.26 123.60 3m4o n ASN 834 Ca 0.22 -3.77 -0.21 0.00 -0.02 0.00 0.00 54.58 50.79 3m4o n ASN 834 Cb 0.19 -0.63 -0.02 0.00 -2.36 0.00 0.00 39.78 36.96 3m4o n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3m4o s GLN 835 N -3.52 3.43 -1.31 -3.83 -0.21 -1.26 -3.28 119.66 109.67 3m4o s GLN 835 Ca 0.53 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 55.12 3m4o s GLN 835 Cb 0.44 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 31.57 3m4o s GLN 835 CO 0.01 0.44 0.87 0.39 -2.12 0.00 0.00 175.29 174.88 3m4o n GLU 836 N -1.34 -5.76 -3.12 2.91 -0.58 -1.26 -2.91 120.64 108.57 3m4o n GLU 836 Ca -0.09 0.70 -0.13 0.00 -0.42 0.00 0.00 57.16 57.22 3m4o n GLU 836 Cb 0.57 -5.48 0.01 0.00 -0.57 0.00 0.00 31.44 25.97 3m4o n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3m4o n ASP 837 N -3.04 -7.16 -3.66 1.62 8.00 -1.26 -4.99 116.55 106.04 3m4o n ASP 837 Ca -0.22 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 3m4o n ASP 837 Cb 0.64 -4.33 -0.04 0.00 -0.02 0.00 0.00 41.12 37.37 3m4o n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3m4o s SER 838 N -2.56 -0.24 0.11 -2.24 1.04 -1.15 -3.83 113.70 104.83 3m4o s SER 838 Ca 0.18 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.20 3m4o s SER 838 Cb -0.04 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3m4o s SER 838 CO 0.80 -0.91 0.09 0.00 0.98 0.00 0.00 173.24 174.20 3m4o s MET 839 N -3.83 0.86 -0.18 4.02 0.23 -0.03 -4.03 119.30 116.34 3m4o s MET 839 Ca 0.05 -1.25 -0.05 0.00 -1.03 0.00 0.00 55.69 53.40 3m4o s MET 839 Cb 0.01 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.55 3m4o s MET 839 CO -0.09 -0.25 0.01 0.42 -2.03 0.00 0.00 175.02 173.08 3m4o s ILE 840 N -3.97 4.22 -0.12 3.16 1.01 -0.90 0.33 121.20 124.93 3m4o s ILE 840 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 3m4o s ILE 840 Cb 0.06 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 3m4o s ILE 840 CO -0.04 0.46 -0.05 -0.32 0.00 0.00 0.00 174.94 174.99 3m4o s MET 841 N 0.55 3.31 -0.67 2.79 1.75 -0.78 -1.38 119.30 124.87 3m4o s MET 841 Ca -0.00 -0.53 -0.26 0.00 -1.25 0.00 0.00 55.69 53.64 3m4o s MET 841 Cb -0.14 -2.78 -0.11 0.00 2.84 0.00 0.00 34.83 34.65 3m4o s MET 841 CO 0.02 0.41 2.39 1.21 -0.65 0.00 0.00 175.02 178.40 3m4o s ASN 842 N -0.10 4.14 0.22 1.11 2.47 -0.07 -1.84 114.94 120.87 3m4o s ASN 842 Ca 0.02 0.44 -0.09 0.00 0.42 0.00 0.00 52.86 53.65 3m4o s ASN 842 Cb -0.13 -2.53 0.34 0.00 -1.45 0.00 0.00 41.25 37.48 3m4o s ASN 842 CO 0.03 -3.45 1.70 -0.61 -3.72 0.00 0.00 177.10 171.04 3m4o h GLN 843 N 15.43 0.25 -0.36 0.43 5.75 -1.67 -1.70 115.11 133.24 3m4o h GLN 843 Ca -0.10 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.45 3m4o h GLN 843 Cb 1.11 -0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.52 3m4o h GLN 843 CO 1.07 0.17 -0.46 0.77 -2.65 0.00 0.00 178.83 177.73 3m4o h SER 844 N 0.26 -1.53 -0.58 -0.69 0.02 -1.87 -1.39 113.55 107.76 3m4o h SER 844 Ca 0.34 0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.58 3m4o h SER 844 Cb 0.54 0.65 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 3m4o h SER 844 CO -0.44 -0.39 0.28 0.77 -1.14 0.00 0.00 176.83 175.90 3m4o h SER 845 N -0.38 0.37 -0.98 3.07 4.64 -1.76 -2.13 113.55 116.37 3m4o h SER 845 Ca 0.11 0.05 0.27 0.00 -0.47 0.00 0.00 61.79 61.75 3m4o h SER 845 Cb 0.60 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 62.54 3m4o h SER 845 CO -0.55 0.24 0.54 0.40 -0.87 0.00 0.00 176.83 176.59 3m4o h ILE 846 N 0.51 0.42 -0.02 0.95 2.04 -0.40 0.60 117.51 121.62 3m4o h ILE 846 Ca 0.27 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.79 3m4o h ILE 846 Cb 0.23 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3m4o h ILE 846 CO -0.21 0.08 -0.84 0.44 0.00 0.00 0.00 178.15 177.62 3m4o h ASP 847 N 0.44 0.37 0.27 1.72 3.32 -0.73 -0.02 116.42 121.79 3m4o h ASP 847 Ca 0.67 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3m4o h ASP 847 Cb 1.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3m4o h ASP 847 CO -0.55 1.05 0.00 0.54 -1.72 0.00 0.00 179.24 178.57 3m4o n ARG 848 N -3.73 0.15 0.00 3.56 1.74 0.14 -4.83 116.66 113.69 3m4o n ARG 848 Ca -0.04 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3m4o n ARG 848 Cb 0.78 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3m4o n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m4o n GLY 849 N -0.81 1.60 3.77 -0.13 0.00 -0.06 -5.11 105.19 104.45 3m4o n GLY 849 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3m4o n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m4o s LEU 850 N 0.00 4.37 -1.36 0.99 2.96 -0.99 -3.36 118.68 121.28 3m4o s LEU 850 Ca 0.00 2.88 -0.15 0.00 -0.22 0.00 0.00 54.13 56.64 3m4o s LEU 850 Cb 0.00 -3.65 0.14 0.00 0.50 0.00 0.00 46.19 43.17 3m4o s LEU 850 CO 0.00 -0.74 0.51 0.49 -1.32 0.00 0.00 176.35 175.29 3m4o n PHE 851 N 0.91 -1.60 -2.90 5.38 3.01 -1.26 -4.61 117.46 116.39 3m4o n PHE 851 Ca 0.02 0.53 -0.35 0.00 1.01 0.00 0.00 57.45 58.66 3m4o n PHE 851 Cb 0.40 -2.25 -0.06 0.00 -0.01 0.00 0.00 39.48 37.55 3m4o n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3m4o s ARG 852 N -6.45 4.36 0.11 -1.08 0.52 -1.21 -4.13 118.95 111.06 3m4o s ARG 852 Ca 0.56 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.89 3m4o s ARG 852 Cb -0.31 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3m4o s ARG 852 CO 0.68 0.21 -0.08 -1.54 0.02 0.00 0.00 175.30 174.59 3m4o s SER 853 N -1.84 1.37 0.03 0.23 1.04 -0.91 -1.11 113.70 112.51 3m4o s SER 853 Ca 0.52 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 3m4o s SER 853 Cb -0.15 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 3m4o s SER 853 CO 0.20 -0.40 0.33 -0.76 0.98 0.00 0.00 173.24 173.59 3m4o s LEU 854 N -2.99 4.37 -0.09 2.42 1.43 0.54 -2.26 118.68 122.11 3m4o s LEU 854 Ca 0.12 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3m4o s LEU 854 Cb 0.03 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3m4o s LEU 854 CO -0.02 0.23 -0.08 0.12 0.23 0.00 0.00 176.35 176.83 3m4o s PHE 855 N -1.31 1.28 -0.17 0.29 5.36 0.12 -2.09 117.98 121.47 3m4o s PHE 855 Ca 0.29 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 3m4o s PHE 855 Cb -0.14 -1.06 0.01 0.00 -0.34 0.00 0.00 43.02 41.50 3m4o s PHE 855 CO 0.16 -0.38 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.29 3m4o s PHE 856 N 1.33 2.75 0.17 10.12 0.40 -0.41 -0.76 117.98 131.58 3m4o s PHE 856 Ca -0.03 -1.41 0.09 0.00 -0.60 0.00 0.00 56.93 54.99 3m4o s PHE 856 Cb -0.14 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 3m4o s PHE 856 CO -0.03 -0.68 -0.14 0.50 0.70 0.00 0.00 175.22 175.57 3m4o s ARG 857 N 1.07 1.90 -0.13 0.44 3.52 0.17 -1.26 118.95 124.66 3m4o s ARG 857 Ca -0.01 -1.30 -0.00 0.00 -0.13 0.00 0.00 55.73 54.29 3m4o s ARG 857 Cb -0.14 -2.09 0.03 0.00 -1.56 0.00 0.00 34.95 31.18 3m4o s ARG 857 CO -0.07 0.44 -0.08 -1.12 -0.81 0.00 0.00 175.30 173.66 3m4o s SER 858 N -2.64 2.33 0.09 -2.12 0.01 -1.23 -1.02 113.70 109.12 3m4o s SER 858 Ca 0.23 -0.38 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 3m4o s SER 858 Cb -0.09 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.21 3m4o s SER 858 CO 0.13 -0.12 0.33 -0.31 0.41 0.00 0.00 173.24 173.68 3m4o s TYR 859 N 1.68 3.52 0.00 2.43 1.51 0.39 -4.68 117.35 122.19 3m4o s TYR 859 Ca 0.04 0.55 -0.09 0.00 -1.01 0.00 0.00 57.07 56.56 3m4o s TYR 859 Cb -0.13 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3m4o s TYR 859 CO -0.08 0.51 0.18 1.41 -1.11 0.00 0.00 175.55 176.46 3m4o s MET 860 N -2.33 0.54 0.37 -0.62 1.75 -1.26 -0.78 119.30 116.98 3m4o s MET 860 Ca 0.36 -0.36 -0.16 0.00 -1.25 0.00 0.00 55.69 54.28 3m4o s MET 860 Cb -0.13 0.23 0.05 0.00 2.84 0.00 0.00 34.83 37.82 3m4o s MET 860 CO 0.22 -0.14 0.78 0.34 -0.65 0.00 0.00 175.02 175.57 3m4o s ASP 861 N -1.40 -0.01 0.33 1.11 -1.08 -0.86 -4.99 116.67 109.77 3m4o s ASP 861 Ca -0.14 -1.10 -0.16 0.00 -0.52 0.00 0.00 52.55 50.63 3m4o s ASP 861 Cb -0.07 0.84 0.03 0.00 -1.46 0.00 0.00 42.92 42.26 3m4o s ASP 861 CO 0.02 -1.65 0.70 -1.10 0.52 0.00 0.00 175.17 173.66 3m4o s GLN 862 N -2.49 1.98 -0.19 4.34 -0.21 -1.26 -2.82 119.66 119.02 3m4o s GLN 862 Ca 0.15 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.23 3m4o s GLN 862 Cb -0.05 0.59 0.04 0.00 1.00 0.00 0.00 33.01 34.59 3m4o s GLN 862 CO 0.11 -0.90 -0.09 -1.21 -2.12 0.00 0.00 175.29 171.08 3m4o s GLU 863 N -3.11 1.84 2.16 2.91 2.02 -1.09 -4.96 118.70 118.47 3m4o s GLU 863 Ca 0.16 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3m4o s GLU 863 Cb -0.04 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 31.91 3m4o s GLU 863 CO 0.11 -0.42 0.00 0.36 0.02 0.00 0.00 175.26 175.32 3m4o n LYS 864 N 4.75 0.00 0.00 1.61 2.85 -1.26 -4.71 118.16 121.40 3m4o n LYS 864 Ca -0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 3m4o n LYS 864 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 3m4o n LYS 864 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3m4o n LYS 865 N -0.02 0.00 -3.94 -1.58 4.81 -1.26 -4.95 118.16 111.21 3m4o n LYS 865 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 3m4o n LYS 865 Cb 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 34.91 3m4o n LYS 865 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3m4o s TYR 866 N 0.37 2.96 0.00 5.64 1.51 -1.26 -5.00 117.35 121.57 3m4o s TYR 866 Ca 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 3m4o s TYR 866 Cb 0.00 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 3m4o s TYR 866 CO 0.00 -0.62 0.00 0.41 -1.11 0.00 0.00 175.55 174.23 3m4o n GLY 867 N 4.75 1.75 1.55 0.71 0.00 -1.26 -4.89 105.19 107.80 3m4o n GLY 867 Ca -0.18 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 3m4o n GLY 867 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3m4o n MET 868 N 0.00 1.18 0.00 1.61 2.81 -1.26 -2.47 117.12 118.99 3m4o n MET 868 Ca 0.00 -0.37 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 3m4o n MET 868 Cb 0.00 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 3m4o n MET 868 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3m4o n SER 869 N 1.15 0.00 -4.45 7.83 3.41 -1.26 -5.09 113.62 115.21 3m4o n SER 869 Ca 0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3m4o n SER 869 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 3m4o n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3m4o s ILE 870 N 0.00 5.05 -0.17 -1.33 1.09 -1.03 -5.06 121.20 119.75 3m4o s ILE 870 Ca 0.00 -0.63 -0.05 0.00 -1.10 0.00 0.00 60.65 58.87 3m4o s ILE 870 Cb 0.00 -3.77 0.08 0.00 -1.06 0.00 0.00 42.46 37.72 3m4o s ILE 870 CO 0.00 -0.23 0.29 -0.89 -0.10 0.00 0.00 174.94 174.02 3m4o s THR 871 N 1.65 -0.46 0.34 2.92 2.01 -1.26 -4.54 115.64 116.29 3m4o s THR 871 Ca 0.04 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 3m4o s THR 871 Cb -0.19 -0.57 -0.10 0.00 0.01 0.00 0.00 72.50 71.65 3m4o s THR 871 CO 0.09 0.02 1.33 -1.61 -0.69 0.00 0.00 174.62 173.75 3m4o s GLU 872 N 2.45 4.31 0.12 4.92 2.02 -1.26 -4.43 118.70 126.83 3m4o s GLU 872 Ca 0.04 2.25 0.09 0.00 0.02 0.00 0.00 54.97 57.37 3m4o s GLU 872 Cb -0.13 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.01 3m4o s GLU 872 CO -0.11 -0.24 -0.23 0.99 0.02 0.00 0.00 175.26 175.70 3m4o s THR 873 N -1.14 1.95 -0.30 3.63 2.01 -0.85 -4.45 115.64 116.48 3m4o s THR 873 Ca 0.50 -1.68 -0.12 0.00 0.31 0.00 0.00 61.69 60.70 3m4o s THR 873 Cb -0.40 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 3m4o s THR 873 CO 0.54 -0.03 0.21 -0.36 -0.69 0.00 0.00 174.62 174.28 3m4o s PHE 874 N -1.23 3.22 0.39 4.92 2.99 -1.26 -1.77 117.98 125.24 3m4o s PHE 874 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 56.93 56.88 3m4o s PHE 874 Cb -0.10 -2.41 0.06 0.00 0.00 0.00 0.00 43.02 40.57 3m4o s PHE 874 CO 0.05 -0.23 0.81 -0.85 -0.00 0.00 0.00 175.22 175.00 3m4o n GLU 875 N 5.07 1.12 -3.06 0.44 0.28 -1.25 -4.56 120.64 118.69 3m4o n GLU 875 Ca -0.14 -2.20 -0.44 0.00 -0.16 0.00 0.00 57.16 54.23 3m4o n GLU 875 Cb 0.51 2.75 -0.05 0.00 1.43 0.00 0.00 31.44 36.08 3m4o n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3m4o s LYS 876 N -2.09 3.13 1.18 3.44 2.20 -1.26 -3.94 119.74 122.41 3m4o s LYS 876 Ca 0.16 -0.91 -0.13 0.00 -0.36 0.00 0.00 55.97 54.73 3m4o s LYS 876 Cb -0.05 -4.16 0.29 0.00 -1.51 0.00 0.00 37.83 32.40 3m4o s LYS 876 CO 0.12 -1.43 0.98 -2.30 -0.36 0.00 0.00 175.35 172.35 3m4o n PRO 877 N 6.63 -2.49 -3.56 4.03 -0.02 -1.26 -5.06 135.00 133.26 3m4o n PRO 877 Ca -0.06 -0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 60.66 3m4o n PRO 877 Cb 0.45 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3m4o n PRO 877 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m4o s GLN 878 N -4.36 0.53 0.00 -0.52 -2.07 -1.26 -5.13 119.66 106.85 3m4o s GLN 878 Ca 0.68 -0.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.10 3m4o s GLN 878 Cb -0.25 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 3m4o s GLN 878 CO 0.65 -0.22 0.00 0.54 -1.32 0.00 0.00 175.29 174.94 3m4o n ARG 879 N 0.04 0.00 -2.84 9.60 5.12 -1.26 -4.89 116.66 122.42 3m4o n ARG 879 Ca -0.05 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.77 3m4o n ARG 879 Cb 0.59 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.94 3m4o n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3m4o n THR 880 N 0.00 -2.97 -0.83 0.55 -1.04 -1.26 -3.47 114.28 105.26 3m4o n THR 880 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3m4o n THR 880 Cb 0.00 -3.68 0.00 0.00 -1.82 0.00 0.00 70.33 64.83 3m4o n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3m4o n ASN 881 N -1.94 -2.69 -0.09 8.00 3.02 -1.26 -0.23 115.26 120.07 3m4o n ASN 881 Ca -0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 3m4o n ASN 881 Cb 0.58 -2.23 -0.03 0.00 -0.61 0.00 0.00 39.78 37.49 3m4o n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3m4o n THR 882 N -2.15 1.50 -1.73 3.41 -1.04 -1.23 -4.54 114.28 108.50 3m4o n THR 882 Ca 0.00 0.12 -0.07 0.00 -2.04 0.00 0.00 64.05 62.06 3m4o n THR 882 Cb 0.19 -2.33 -0.02 0.00 -1.82 0.00 0.00 70.33 66.35 3m4o n THR 882 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m4o n LEU 883 N -4.46 -0.57 -4.05 -4.42 -0.00 -1.23 -4.85 117.00 97.42 3m4o n LEU 883 Ca -0.16 0.24 -0.43 0.00 -0.00 0.00 0.00 56.01 55.66 3m4o n LEU 883 Cb 0.52 -1.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 3m4o n LEU 883 CO 0.19 -0.25 1.53 0.54 -0.00 0.00 0.00 177.39 179.40 3m4o n ARG 884 N -1.97 3.81 -3.88 1.47 1.74 -1.26 -4.98 116.66 111.58 3m4o n ARG 884 Ca -0.08 -3.95 -0.21 0.00 -0.77 0.00 0.00 57.85 52.84 3m4o n ARG 884 Cb 0.37 -2.80 -0.04 0.00 -1.02 0.00 0.00 32.46 28.97 3m4o n ARG 884 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3m4o s MET 885 N -0.43 2.78 0.89 5.56 -1.94 -1.26 -2.91 119.30 121.98 3m4o s MET 885 Ca 0.37 -1.23 -0.12 0.00 -1.71 0.00 0.00 55.69 53.00 3m4o s MET 885 Cb 0.04 -2.50 0.12 0.00 2.01 0.00 0.00 34.83 34.51 3m4o s MET 885 CO 0.02 0.17 1.10 0.15 -0.01 0.00 0.00 175.02 176.45 3m4o s LYS 886 N -3.96 1.32 0.04 2.03 3.01 -1.26 -4.98 119.74 115.94 3m4o s LYS 886 Ca 0.39 0.70 -0.19 0.00 -1.01 0.00 0.00 55.97 55.86 3m4o s LYS 886 Cb -0.06 -1.83 -0.17 0.00 -1.01 0.00 0.00 37.83 34.76 3m4o s LYS 886 CO 0.26 -2.16 1.24 0.45 0.51 0.00 0.00 175.35 175.65 3m4o h HIS 887 N -1.49 0.60 -3.25 3.18 3.86 -2.00 -3.47 115.15 112.58 3m4o h HIS 887 Ca -0.50 -0.24 -0.41 0.00 -1.16 0.00 0.00 60.37 58.06 3m4o h HIS 887 Cb 1.29 -0.10 0.21 0.00 1.06 0.00 0.00 27.41 29.87 3m4o h HIS 887 CO 0.41 0.99 -0.01 0.20 0.86 0.00 0.00 177.93 180.37 3m4o s GLY 888 N -3.79 1.50 0.11 2.45 0.00 -1.26 -5.01 107.32 101.31 3m4o s GLY 888 Ca -0.13 -0.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.90 3m4o s GLY 888 CO 0.80 0.31 0.52 -0.51 0.00 0.00 0.00 173.10 174.22 3m4o s THR 889 N -2.51 4.88 -1.35 0.90 -4.23 -1.26 -4.79 115.64 107.27 3m4o s THR 889 Ca 0.69 0.87 0.23 0.00 -1.18 0.00 0.00 61.69 62.30 3m4o s THR 889 Cb -0.18 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.87 3m4o s THR 889 CO 0.60 0.35 1.19 -1.22 -0.54 0.00 0.00 174.62 175.01 3m4o n TYR 890 N 1.13 0.00 0.12 3.99 4.02 -1.26 -2.08 117.16 123.08 3m4o n TYR 890 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.85 3m4o n TYR 890 Cb 0.52 -0.09 0.18 0.00 -0.02 0.00 0.00 39.34 39.93 3m4o n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3m4o n ASP 891 N -1.04 0.14 -1.85 7.72 8.00 -1.26 -1.97 116.55 126.29 3m4o n ASP 891 Ca 0.07 0.56 -0.10 0.00 0.71 0.00 0.00 54.79 56.03 3m4o n ASP 891 Cb 0.36 -0.58 0.21 0.00 -0.02 0.00 0.00 41.12 41.09 3m4o n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m4o n LYS 892 N -1.68 2.77 -3.96 -1.24 5.02 -1.26 -4.85 118.16 112.95 3m4o n LYS 892 Ca 0.00 -2.44 -0.30 0.00 -2.02 0.00 0.00 58.31 53.55 3m4o n LYS 892 Cb 0.04 -2.00 -0.16 0.00 -0.02 0.00 0.00 35.03 32.89 3m4o n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3m4o s LEU 893 N -2.47 2.27 1.08 -0.35 1.43 -0.83 -4.35 118.68 115.45 3m4o s LEU 893 Ca 0.45 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 3m4o s LEU 893 Cb 0.36 -1.16 0.23 0.00 0.03 0.00 0.00 46.19 45.65 3m4o s LEU 893 CO 0.10 -0.18 1.08 1.51 0.23 0.00 0.00 176.35 179.09 3m4o s ASP 894 N 1.44 1.91 0.25 2.29 -4.77 -1.17 -4.81 116.67 111.81 3m4o s ASP 894 Ca -0.03 1.15 0.10 0.00 -3.30 0.00 0.00 52.55 50.47 3m4o s ASP 894 Cb -0.17 -1.78 0.52 0.00 -1.09 0.00 0.00 42.92 40.40 3m4o s ASP 894 CO -0.07 -3.57 1.16 0.47 0.70 0.00 0.00 175.17 173.86 3m4o n ASP 895 N -4.46 0.25 -0.63 2.11 10.43 -1.26 -0.70 116.55 122.30 3m4o n ASP 895 Ca 0.06 0.48 0.13 0.00 2.57 0.00 0.00 54.79 58.03 3m4o n ASP 895 Cb 0.57 -0.43 0.33 0.00 1.84 0.00 0.00 41.12 43.43 3m4o n ASP 895 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3m4o n ASP 896 N -1.87 2.02 0.00 -2.24 5.68 -1.26 -4.34 116.55 114.54 3m4o n ASP 896 Ca -0.01 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 3m4o n ASP 896 Cb 0.32 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3m4o n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m4o n GLY 897 N 1.27 0.44 3.42 6.12 0.00 0.13 -4.10 105.19 112.46 3m4o n GLY 897 Ca 0.16 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 3m4o n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4o s LEU 898 N 0.00 2.55 0.23 0.99 1.43 -1.26 -2.03 118.68 120.58 3m4o s LEU 898 Ca 0.00 -0.99 -0.25 0.00 -1.03 0.00 0.00 54.13 51.86 3m4o s LEU 898 Cb 0.00 -0.98 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 3m4o s LEU 898 CO 0.00 -0.01 0.83 -0.63 0.23 0.00 0.00 176.35 176.77 3m4o s ILE 899 N -2.47 4.33 0.20 -0.59 1.01 -1.19 -3.03 121.20 119.47 3m4o s ILE 899 Ca 0.26 1.69 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 3m4o s ILE 899 Cb -0.04 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3m4o s ILE 899 CO 0.12 0.36 1.30 0.00 0.00 0.00 0.00 174.94 176.72 3m4o s ALA 900 N -1.35 3.52 -1.09 9.38 0.00 -1.26 -4.90 121.76 126.06 3m4o s ALA 900 Ca 0.41 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3m4o s ALA 900 Cb -0.21 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3m4o s ALA 900 CO 0.25 -0.52 0.24 -2.30 0.00 0.00 0.00 175.76 173.43 3m4o n PRO 901 N 2.55 0.00 -0.13 0.00 -0.02 -1.26 -2.23 135.00 133.90 3m4o n PRO 901 Ca 0.06 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 3m4o n PRO 901 Cb 0.43 -1.45 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 3m4o n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4o n GLY 902 N -0.72 -0.37 3.37 -1.23 0.00 -1.26 -4.11 105.19 100.88 3m4o n GLY 902 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3m4o n GLY 902 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m4o n VAL 903 N -3.45 1.27 -3.87 1.61 0.31 -0.95 -4.59 118.33 108.66 3m4o n VAL 903 Ca -0.47 -0.43 -0.35 0.00 -0.01 0.00 0.00 64.34 63.07 3m4o n VAL 903 Cb 0.96 -0.51 -0.10 0.00 -0.91 0.00 0.00 33.84 33.28 3m4o n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3m4o s ARG 904 N -2.29 3.96 0.17 5.55 3.52 -1.26 -2.01 118.95 126.59 3m4o s ARG 904 Ca 0.61 -0.34 0.09 0.00 -0.13 0.00 0.00 55.73 55.97 3m4o s ARG 904 Cb -0.37 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3m4o s ARG 904 CO 0.62 0.15 -0.13 0.14 -0.81 0.00 0.00 175.30 175.27 3m4o s VAL 905 N 0.73 3.01 0.28 7.11 -7.23 0.77 -4.98 120.40 120.09 3m4o s VAL 905 Ca 0.05 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 3m4o s VAL 905 Cb -0.13 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.41 3m4o s VAL 905 CO 0.02 -0.06 0.90 -0.94 -0.31 0.00 0.00 175.10 174.71 3m4o s SER 906 N -2.63 -0.02 0.00 4.85 1.04 -1.26 -0.79 113.70 114.89 3m4o s SER 906 Ca 0.23 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.78 3m4o s SER 906 Cb -0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3m4o s SER 906 CO 0.13 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.63 3m4o n GLY 907 N -0.60 1.86 0.61 7.32 0.00 -1.21 -1.46 105.19 111.71 3m4o n GLY 907 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.89 3m4o n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m4o n GLU 908 N 12.83 1.73 -1.48 1.61 1.02 -1.26 -4.61 120.64 130.47 3m4o n GLU 908 Ca 0.00 -0.75 -0.47 0.00 -0.02 0.00 0.00 57.16 55.92 3m4o n GLU 908 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 3m4o n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3m4o n ASP 909 N 0.11 -0.14 -4.72 1.62 9.92 -0.54 -4.18 116.55 118.62 3m4o n ASP 909 Ca 0.07 1.15 -0.41 0.00 -0.53 0.00 0.00 54.79 55.07 3m4o n ASP 909 Cb 0.33 -1.09 -0.04 0.00 -0.64 0.00 0.00 41.12 39.68 3m4o n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3m4o s VAL 910 N -0.95 4.74 -0.19 2.53 1.01 -0.88 -1.42 120.40 125.24 3m4o s VAL 910 Ca 0.63 1.96 -0.05 0.00 0.00 0.00 0.00 61.98 64.53 3m4o s VAL 910 Cb -0.85 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.15 3m4o s VAL 910 CO 0.57 0.25 -0.21 -0.38 0.00 0.00 0.00 175.10 175.33 3m4o n ILE 911 N 3.38 1.06 -5.12 2.22 5.41 -0.82 -4.78 119.36 120.72 3m4o n ILE 911 Ca 0.03 -0.33 -0.30 0.00 1.00 0.00 0.00 62.75 63.15 3m4o n ILE 911 Cb 0.50 -1.48 -0.16 0.00 -0.71 0.00 0.00 39.64 37.79 3m4o n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3m4o s ILE 912 N -2.36 1.86 0.12 1.39 1.01 -1.20 -3.17 121.20 118.84 3m4o s ILE 912 Ca -0.26 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.49 3m4o s ILE 912 Cb 0.09 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3m4o s ILE 912 CO 0.38 0.52 0.09 -0.83 0.00 0.00 0.00 174.94 175.10 3m4o s GLY 913 N 0.02 1.89 -0.29 6.18 0.00 -0.86 -2.14 107.32 112.12 3m4o s GLY 913 Ca -0.07 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 43.37 3m4o s GLY 913 CO 0.04 -1.10 0.95 -1.59 0.00 0.00 0.00 173.10 171.40 3m4o s LYS 914 N -2.66 0.43 0.73 2.90 -2.85 -1.25 -3.83 119.74 113.20 3m4o s LYS 914 Ca 0.29 0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 55.92 3m4o s LYS 914 Cb -0.11 0.10 0.10 0.00 -2.06 0.00 0.00 37.83 35.86 3m4o s LYS 914 CO 0.22 -0.08 1.03 0.95 0.10 0.00 0.00 175.35 177.56 3m4o s THR 915 N 1.24 2.23 -0.49 3.79 -4.23 -0.73 -1.74 115.64 115.72 3m4o s THR 915 Ca -0.08 -0.40 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3m4o s THR 915 Cb -0.04 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.18 3m4o s THR 915 CO -0.14 0.00 0.78 1.07 -0.54 0.00 0.00 174.62 175.78 3m4o n THR 916 N -2.95 -0.11 -1.53 3.99 5.66 -0.66 -2.00 114.28 116.68 3m4o n THR 916 Ca 0.12 -1.58 -0.48 0.00 -3.05 0.00 0.00 64.05 59.07 3m4o n THR 916 Cb 0.60 0.93 -0.03 0.00 -1.55 0.00 0.00 70.33 70.28 3m4o n THR 916 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3m4o n PRO 917 N 2.17 0.88 -4.20 1.09 -0.04 -1.26 -3.72 135.00 129.92 3m4o n PRO 917 Ca 0.14 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.74 3m4o n PRO 917 Cb 0.59 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 3m4o n PRO 917 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3m4o s ILE 918 N -0.70 0.50 -0.26 0.52 -1.09 -1.26 -4.88 121.20 114.04 3m4o s ILE 918 Ca 0.67 -0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.85 3m4o s ILE 918 Cb -0.84 -0.46 0.13 0.00 -1.58 0.00 0.00 42.46 39.70 3m4o s ILE 918 CO 0.56 0.17 0.31 -0.94 -1.23 0.00 0.00 174.94 173.81 3m4o s SER 919 N 0.22 1.07 0.00 3.58 1.04 -1.26 -4.71 113.70 113.64 3m4o s SER 919 Ca -0.03 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3m4o s SER 919 Cb -0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3m4o s SER 919 CO -0.00 -0.35 0.00 -1.54 0.98 0.00 0.00 173.24 172.33 3m4o n SER 933 N 5.33 0.00 -4.58 7.02 3.41 0.69 -5.29 113.62 120.20 3m4o n SER 933 Ca -0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.18 3m4o n SER 933 Cb 0.48 -0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 3m4o n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3m4o s LYS 934 N -0.93 3.79 0.21 4.33 1.02 -1.25 -4.42 119.74 122.49 3m4o s LYS 934 Ca 0.00 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 55.62 3m4o s LYS 934 Cb 0.00 -3.73 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 3m4o s LYS 934 CO 0.00 -0.43 0.75 1.03 -0.92 0.00 0.00 175.35 175.79 3m4o s ARG 935 N 2.11 4.36 0.71 1.68 0.52 -1.24 -4.55 118.95 122.53 3m4o s ARG 935 Ca 0.14 0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 56.19 3m4o s ARG 935 Cb -0.16 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.36 3m4o s ARG 935 CO 0.11 0.44 1.13 0.34 0.02 0.00 0.00 175.30 177.34 3m4o s ASP 936 N -1.51 4.64 -0.38 0.23 -1.08 -1.15 -1.65 116.67 115.78 3m4o s ASP 936 Ca 0.41 2.07 0.09 0.00 -0.52 0.00 0.00 52.55 54.60 3m4o s ASP 936 Cb -0.18 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 39.08 3m4o s ASP 936 CO 0.22 -1.95 1.35 0.00 0.52 0.00 0.00 175.17 175.31 3m4o n ALA 937 N -2.80 1.11 -2.87 3.66 0.00 -0.71 -4.86 120.51 114.04 3m4o n ALA 937 Ca 0.11 -1.16 -0.36 0.00 0.00 0.00 0.00 53.44 52.03 3m4o n ALA 937 Cb 0.52 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3m4o n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3m4o s SER 938 N -1.09 6.31 -0.33 0.00 0.01 -1.26 -4.51 113.70 112.83 3m4o s SER 938 Ca 0.18 0.41 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 3m4o s SER 938 Cb 0.37 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.60 3m4o s SER 938 CO -0.09 0.36 0.80 -0.89 0.41 0.00 0.00 173.24 173.83 3m4o s THR 939 N -1.11 4.75 -0.03 1.44 2.01 -0.91 -4.96 115.64 116.83 3m4o s THR 939 Ca 0.19 1.09 -0.19 0.00 0.31 0.00 0.00 61.69 63.09 3m4o s THR 939 Cb -0.12 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 3m4o s THR 939 CO 0.09 -0.34 0.52 -2.16 -0.69 0.00 0.00 174.62 172.04 3m4o s PRO 940 N 3.05 4.24 -0.10 4.92 0.04 -1.26 -1.95 135.00 143.94 3m4o s PRO 940 Ca 0.33 0.59 -0.41 0.00 0.04 0.00 0.00 61.00 61.54 3m4o s PRO 940 Cb -0.14 -3.34 -0.20 0.00 0.04 0.00 0.00 34.50 30.87 3m4o s PRO 940 CO 0.14 0.39 1.19 -0.11 0.04 0.00 0.00 177.00 178.66 3m4o n LEU 941 N 2.74 0.31 0.00 -3.56 -0.00 -0.51 -4.61 117.00 111.37 3m4o n LEU 941 Ca -0.09 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.09 3m4o n LEU 941 Cb 0.51 -0.92 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 3m4o n LEU 941 CO 0.42 -1.65 0.00 0.54 -0.00 0.00 0.00 177.39 176.70 3m4o n ARG 942 N 2.07 0.00 -0.12 1.96 5.12 -1.26 -4.50 116.66 119.93 3m4o n ARG 942 Ca 0.22 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.25 3m4o n ARG 942 Cb 0.05 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 31.82 3m4o n ARG 942 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3m4o h SER 943 N 0.00 0.44 0.52 0.55 4.64 -1.83 -3.01 113.55 114.86 3m4o h SER 943 Ca 0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 3m4o h SER 943 Cb 0.00 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 61.96 3m4o h SER 943 CO 0.00 0.27 -1.66 0.41 -0.87 0.00 0.00 176.83 174.97 3m4o n THR 944 N -4.48 1.51 -2.14 2.95 -1.04 -1.26 -4.76 114.28 105.06 3m4o n THR 944 Ca 0.11 -0.77 -0.15 0.00 -2.04 0.00 0.00 64.05 61.20 3m4o n THR 944 Cb 0.36 -0.96 0.09 0.00 -1.82 0.00 0.00 70.33 68.00 3m4o n THR 944 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3m4o n GLU 945 N -3.00 -0.13 -3.61 -2.82 2.13 -1.14 -4.91 120.64 107.17 3m4o n GLU 945 Ca -0.16 -1.43 -0.01 0.00 0.66 0.00 0.00 57.16 56.22 3m4o n GLU 945 Cb 1.01 -0.52 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 3m4o n GLU 945 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3m4o s ASN 946 N -3.50 -0.07 0.00 4.31 4.22 -1.26 -3.29 114.94 115.35 3m4o s ASN 946 Ca 0.40 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 51.08 3m4o s ASN 946 Cb -0.02 0.10 0.00 0.00 1.28 0.00 0.00 41.25 42.61 3m4o s ASN 946 CO 0.27 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 3m4o n GLY 947 N -0.24 -0.19 3.06 0.45 0.00 0.03 -4.54 105.19 103.77 3m4o n GLY 947 Ca -0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 3m4o n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m4o s ILE 948 N -4.00 0.97 0.31 -0.61 1.01 -0.66 -0.16 121.20 118.07 3m4o s ILE 948 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3m4o s ILE 948 Cb 0.00 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.52 3m4o s ILE 948 CO 0.00 0.28 1.56 0.52 0.00 0.00 0.00 174.94 177.30 3m4o n VAL 949 N 2.99 1.29 -0.01 2.92 0.31 -0.85 0.28 118.33 125.27 3m4o n VAL 949 Ca -0.16 -0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 63.84 3m4o n VAL 949 Cb 0.55 -1.95 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3m4o n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3m4o n ASP 950 N 1.69 3.82 -3.66 4.52 2.03 0.82 -4.24 116.55 121.53 3m4o n ASP 950 Ca 0.07 -0.01 -0.15 0.00 0.52 0.00 0.00 54.79 55.22 3m4o n ASP 950 Cb 0.37 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.67 3m4o n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3m4o s GLN 951 N -2.02 0.77 -0.32 -0.67 0.74 -1.22 -4.95 119.66 111.99 3m4o s GLN 951 Ca -0.01 0.26 -0.02 0.00 0.05 0.00 0.00 55.36 55.64 3m4o s GLN 951 Cb 0.00 0.36 0.11 0.00 1.10 0.00 0.00 33.01 34.58 3m4o s GLN 951 CO 0.02 -0.19 0.14 0.08 -0.55 0.00 0.00 175.29 174.80 3m4o s VAL 952 N -0.74 0.47 -0.11 1.34 1.01 -1.26 -2.14 120.40 118.97 3m4o s VAL 952 Ca -0.08 -1.34 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 3m4o s VAL 952 Cb -0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3m4o s VAL 952 CO 0.05 -0.77 0.72 -0.22 0.00 0.00 0.00 175.10 174.88 3m4o s LEU 953 N 1.57 4.26 -0.34 3.92 0.20 -1.24 -4.93 118.68 122.11 3m4o s LEU 953 Ca 0.12 1.13 -0.00 0.00 0.69 0.00 0.00 54.13 56.06 3m4o s LEU 953 Cb -0.19 -3.09 0.08 0.00 -0.43 0.00 0.00 46.19 42.57 3m4o s LEU 953 CO -0.22 -0.21 0.07 -0.69 -0.29 0.00 0.00 176.35 175.00 3m4o s VAL 954 N 1.29 2.82 0.44 1.68 1.01 -1.26 -1.54 120.40 124.84 3m4o s VAL 954 Ca 0.36 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.47 3m4o s VAL 954 Cb -0.17 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 3m4o s VAL 954 CO 0.16 -0.41 0.01 0.41 0.00 0.00 0.00 175.10 175.26 3m4o n THR 955 N 4.50 0.00 -4.28 3.92 -1.04 -0.01 -4.97 114.28 112.40 3m4o n THR 955 Ca -0.05 -2.09 -0.27 0.00 -2.04 0.00 0.00 64.05 59.60 3m4o n THR 955 Cb 0.42 0.44 -0.09 0.00 -1.82 0.00 0.00 70.33 69.27 3m4o n THR 955 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3m4o s THR 956 N -2.61 3.21 -0.31 12.58 -1.32 -1.26 -1.71 115.64 124.22 3m4o s THR 956 Ca 0.01 -1.59 -0.02 0.00 -1.21 0.00 0.00 61.69 58.88 3m4o s THR 956 Cb 0.00 -2.57 0.05 0.00 -1.51 0.00 0.00 72.50 68.47 3m4o s THR 956 CO 0.01 -0.07 0.02 0.21 -2.21 0.00 0.00 174.62 172.57 3m4o s ASN 957 N -2.72 4.92 0.00 8.08 2.47 0.16 -4.87 114.94 122.97 3m4o s ASN 957 Ca 0.24 -1.34 0.00 0.00 0.42 0.00 0.00 52.86 52.18 3m4o s ASN 957 Cb -0.09 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 3m4o s ASN 957 CO 0.15 -0.28 0.00 0.00 -3.72 0.00 0.00 177.10 173.25 3m4o n GLN 958 N 4.62 0.00 0.00 0.43 6.02 -1.26 -1.63 117.38 125.56 3m4o n GLN 958 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3m4o n GLN 958 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 3m4o n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3m4o n ASP 959 N 0.00 0.04 -2.61 1.08 8.00 -1.26 -2.81 116.55 118.99 3m4o n ASP 959 Ca 0.00 -0.28 -0.18 0.00 0.71 0.00 0.00 54.79 55.04 3m4o n ASP 959 Cb 0.00 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.12 3m4o n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m4o n GLY 960 N -0.11 -0.21 3.77 0.44 0.00 -0.64 -4.97 105.19 103.47 3m4o n GLY 960 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3m4o n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4o s LEU 961 N -5.51 4.29 0.28 0.99 1.43 -1.04 -4.84 118.68 114.27 3m4o s LEU 961 Ca 0.34 0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 3m4o s LEU 961 Cb -0.15 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 3m4o s LEU 961 CO 0.43 0.20 1.22 -0.75 0.23 0.00 0.00 176.35 177.67 3m4o s LYS 962 N 0.00 4.48 -0.19 1.70 2.20 -1.26 0.35 119.74 127.02 3m4o s LYS 962 Ca 0.15 2.00 -0.12 0.00 -0.36 0.00 0.00 55.97 57.65 3m4o s LYS 962 Cb -0.13 -3.15 0.06 0.00 -1.51 0.00 0.00 37.83 33.10 3m4o s LYS 962 CO 0.04 -0.04 0.48 0.12 -0.36 0.00 0.00 175.35 175.59 3m4o s PHE 963 N -0.85 -0.68 0.05 4.03 5.36 -0.70 -2.68 117.98 122.51 3m4o s PHE 963 Ca 0.49 1.46 0.05 0.00 -0.96 0.00 0.00 56.93 57.97 3m4o s PHE 963 Cb -0.36 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 42.62 3m4o s PHE 963 CO 0.45 -0.36 -0.15 0.08 -1.46 0.00 0.00 175.22 173.78 3m4o s VAL 964 N 1.23 1.17 -0.42 3.12 1.01 -1.13 -0.83 120.40 124.55 3m4o s VAL 964 Ca -0.08 -1.14 0.07 0.00 0.00 0.00 0.00 61.98 60.83 3m4o s VAL 964 Cb -0.07 -1.08 0.23 0.00 0.00 0.00 0.00 36.38 35.46 3m4o s VAL 964 CO -0.12 -0.07 0.55 0.29 0.00 0.00 0.00 175.10 175.76 3m4o n LYS 965 N 1.64 0.59 -2.16 2.72 5.02 -0.59 -2.03 118.16 123.35 3m4o n LYS 965 Ca -0.19 -2.90 -0.42 0.00 -2.02 0.00 0.00 58.31 52.78 3m4o n LYS 965 Cb 0.54 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 3m4o n LYS 965 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m4o s VAL 966 N -0.46 3.27 -0.06 -0.18 1.01 0.04 -3.70 120.40 120.31 3m4o s VAL 966 Ca 0.34 0.92 0.04 0.00 0.00 0.00 0.00 61.98 63.28 3m4o s VAL 966 Cb 0.14 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3m4o s VAL 966 CO -0.15 0.07 -0.19 -0.60 0.00 0.00 0.00 175.10 174.23 3m4o s ARG 967 N 1.04 2.18 0.00 2.72 3.52 -0.91 0.15 118.95 127.65 3m4o s ARG 967 Ca 0.64 -0.70 0.05 0.00 -0.13 0.00 0.00 55.73 55.60 3m4o s ARG 967 Cb -0.37 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 3m4o s ARG 967 CO 0.31 0.23 -0.15 0.08 -0.81 0.00 0.00 175.30 174.96 3m4o s VAL 968 N 0.14 2.99 -0.07 7.11 1.01 -0.19 -0.13 120.40 131.26 3m4o s VAL 968 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3m4o s VAL 968 Cb -0.14 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3m4o s VAL 968 CO 0.04 0.44 -0.10 -0.60 0.00 0.00 0.00 175.10 174.88 3m4o s ARG 969 N -1.18 1.51 0.27 2.72 3.00 0.14 -0.66 118.95 124.76 3m4o s ARG 969 Ca 0.14 -0.32 0.12 0.00 -1.00 0.00 0.00 55.73 54.67 3m4o s ARG 969 Cb -0.11 -1.36 -0.05 0.00 0.00 0.00 0.00 34.95 33.44 3m4o s ARG 969 CO 0.04 -0.06 -0.20 0.99 0.00 0.00 0.00 175.30 176.07 3m4o s THR 970 N 0.97 2.50 -0.19 4.11 2.01 0.06 -1.65 115.64 123.45 3m4o s THR 970 Ca -0.09 -2.37 -0.09 0.00 0.31 0.00 0.00 61.69 59.44 3m4o s THR 970 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 3m4o s THR 970 CO 0.00 -0.38 0.12 -0.89 -0.69 0.00 0.00 174.62 172.79 3m4o s THR 971 N -2.45 5.37 -0.16 -0.82 2.01 -1.26 0.11 115.64 118.44 3m4o s THR 971 Ca 0.29 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 3m4o s THR 971 Cb -0.05 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 3m4o s THR 971 CO 0.15 0.46 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.99 3m4o s LYS 972 N 0.22 3.75 -0.07 4.92 1.02 -0.96 -4.95 119.74 123.68 3m4o s LYS 972 Ca 0.08 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 3m4o s LYS 972 Cb -0.11 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 3m4o s LYS 972 CO -0.01 0.26 -0.03 0.42 -0.92 0.00 0.00 175.35 175.07 3m4o s ILE 973 N 0.33 4.06 -0.43 2.17 1.01 -1.26 -2.14 121.20 124.94 3m4o s ILE 973 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 60.65 59.91 3m4o s ILE 973 Cb -0.14 -2.70 -0.12 0.00 0.01 0.00 0.00 42.46 39.51 3m4o s ILE 973 CO 0.02 0.57 2.28 -0.81 0.00 0.00 0.00 174.94 176.99 3m4o n PRO 974 N 2.05 0.98 -0.80 2.79 -0.04 -1.26 -4.91 135.00 133.81 3m4o n PRO 974 Ca -0.18 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3m4o n PRO 974 Cb 0.53 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3m4o n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3m4o n GLN 975 N 8.36 2.19 0.00 0.54 7.27 -1.26 -5.06 117.38 129.42 3m4o n GLN 975 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.50 3m4o n GLN 975 Cb 0.26 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.91 3m4o n GLN 975 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3m4o n ILE 976 N -0.37 0.00 1.19 1.69 3.06 -1.26 -3.66 119.36 120.01 3m4o n ILE 976 Ca 0.00 1.19 0.07 0.00 -2.50 0.00 0.00 62.75 61.52 3m4o n ILE 976 Cb 0.00 -2.17 0.43 0.00 0.54 0.00 0.00 39.64 38.44 3m4o n ILE 976 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3m4o n GLY 977 N -0.19 -0.60 3.76 4.50 0.00 -1.26 -3.37 105.19 108.04 3m4o n GLY 977 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3m4o n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m4o s ASP 978 N -1.85 5.76 0.22 1.61 1.01 -1.24 -4.31 116.67 117.86 3m4o s ASP 978 Ca 0.22 2.81 -0.21 0.00 0.71 0.00 0.00 52.55 56.08 3m4o s ASP 978 Cb 0.10 -2.64 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 3m4o s ASP 978 CO 0.17 -1.24 0.74 -0.75 0.21 0.00 0.00 175.17 174.29 3m4o s LYS 979 N -2.57 4.31 0.10 8.23 2.20 -0.99 -2.55 119.74 128.47 3m4o s LYS 979 Ca 0.64 0.93 -0.14 0.00 -0.36 0.00 0.00 55.97 57.04 3m4o s LYS 979 Cb -0.41 -2.94 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 3m4o s LYS 979 CO 0.52 0.42 0.34 -0.06 -0.36 0.00 0.00 175.35 176.21 3m4o s PHE 980 N -1.47 -0.11 -0.30 4.03 0.40 0.42 -3.17 117.98 117.79 3m4o s PHE 980 Ca 0.42 -0.19 -0.13 0.00 -0.60 0.00 0.00 56.93 56.43 3m4o s PHE 980 Cb -0.18 0.16 0.15 0.00 0.51 0.00 0.00 43.02 43.66 3m4o s PHE 980 CO 0.22 -0.63 0.84 0.00 0.70 0.00 0.00 175.22 176.34 3m4o s ALA 981 N -3.60 -2.39 0.00 5.36 0.00 -0.79 -0.68 121.76 119.66 3m4o s ALA 981 Ca 0.02 2.19 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3m4o s ALA 981 Cb 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3m4o s ALA 981 CO -0.10 -0.91 0.00 -1.13 0.00 0.00 0.00 175.76 173.62 3m4o n SER 982 N 5.12 0.00 0.00 0.00 3.41 -1.18 -2.97 113.62 117.99 3m4o n SER 982 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3m4o n SER 982 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3m4o n SER 982 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3m4o n ARG 983 N 0.00 0.25 -3.09 4.33 0.63 -1.26 -3.81 116.66 113.70 3m4o n ARG 983 Ca 0.00 -0.53 -0.19 0.00 -0.92 0.00 0.00 57.85 56.21 3m4o n ARG 983 Cb 0.00 -0.55 -0.03 0.00 0.45 0.00 0.00 32.46 32.33 3m4o n ARG 983 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3m4o n HIS 984 N -0.04 -0.87 0.00 -0.14 -0.00 -1.26 -4.77 115.22 108.14 3m4o n HIS 984 Ca 0.00 -3.25 0.00 0.00 -0.00 0.00 0.00 57.72 54.47 3m4o n HIS 984 Cb 0.45 0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.50 3m4o n HIS 984 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3m4o n GLY 985 N 1.11 1.12 3.42 -1.41 0.00 -1.25 -4.85 105.19 103.32 3m4o n GLY 985 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3m4o n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m4o n GLN 986 N -1.51 1.14 -3.12 1.61 0.00 -1.26 -4.93 117.38 109.31 3m4o n GLN 986 Ca 0.00 -1.97 -0.18 0.00 -0.00 0.00 0.00 57.00 54.86 3m4o n GLN 986 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 30.24 26.90 3m4o n GLN 986 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 3m4o s LYS 987 N 6.38 2.90 0.00 3.69 -2.85 -1.26 -3.10 119.74 125.50 3m4o s LYS 987 Ca 0.67 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 3m4o s LYS 987 Cb 0.06 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.06 3m4o s LYS 987 CO 0.17 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.83 3m4o n GLY 988 N -1.81 1.40 3.60 0.59 0.00 0.14 -4.78 105.19 104.34 3m4o n GLY 988 Ca 0.06 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3m4o n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m4o s THR 989 N -2.00 3.77 -0.03 2.61 -4.23 -1.25 -0.43 115.64 114.08 3m4o s THR 989 Ca 0.00 -0.57 -0.38 0.00 -1.18 0.00 0.00 61.69 59.56 3m4o s THR 989 Cb 0.00 -2.59 -0.17 0.00 1.34 0.00 0.00 72.50 71.08 3m4o s THR 989 CO 0.00 0.51 1.43 -0.38 -0.54 0.00 0.00 174.62 175.64 3m4o n ILE 990 N 1.92 0.08 -0.08 2.99 5.41 -1.06 -0.85 119.36 127.78 3m4o n ILE 990 Ca -0.17 -0.01 -0.09 0.00 1.00 0.00 0.00 62.75 63.48 3m4o n ILE 990 Cb 0.53 -0.85 -0.15 0.00 -0.71 0.00 0.00 39.64 38.46 3m4o n ILE 990 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m4o n GLY 991 N 2.91 -1.00 3.61 7.39 0.00 0.15 -4.03 105.19 114.22 3m4o n GLY 991 Ca 0.21 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3m4o n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m4o s ILE 992 N -2.55 0.00 -0.09 -0.61 1.10 -1.25 -4.98 121.20 112.83 3m4o s ILE 992 Ca -0.08 -0.42 0.03 0.00 -0.51 0.00 0.00 60.65 59.67 3m4o s ILE 992 Cb 0.07 -1.43 0.01 0.00 0.15 0.00 0.00 42.46 41.26 3m4o s ILE 992 CO 0.83 0.00 -0.19 0.42 -2.11 0.00 0.00 174.94 173.89 3m4o s THR 993 N -3.78 1.67 -0.15 4.00 -4.23 -1.26 -1.87 115.64 110.02 3m4o s THR 993 Ca 0.05 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3m4o s THR 993 Cb -0.03 -1.47 -0.00 0.00 1.34 0.00 0.00 72.50 72.34 3m4o s THR 993 CO -0.04 0.47 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.04 3m4o s TYR 994 N 0.48 2.76 1.16 3.99 4.12 -0.76 -4.76 117.35 124.34 3m4o s TYR 994 Ca -0.17 -1.03 -0.13 0.00 0.02 0.00 0.00 57.07 55.76 3m4o s TYR 994 Cb -0.17 -1.87 0.28 0.00 -1.52 0.00 0.00 41.96 38.68 3m4o s TYR 994 CO 0.07 -0.46 1.03 1.03 0.02 0.00 0.00 175.55 177.24 3m4o s ARG 995 N 0.76 -0.89 0.54 -0.62 0.52 -1.26 -1.88 118.95 116.11 3m4o s ARG 995 Ca -0.06 0.94 0.22 0.00 -0.52 0.00 0.00 55.73 56.30 3m4o s ARG 995 Cb -0.15 -1.55 1.40 0.00 0.52 0.00 0.00 34.95 35.17 3m4o s ARG 995 CO 0.01 -3.74 2.09 -0.09 0.02 0.00 0.00 175.30 173.59 3m4o h ARG 996 N -2.64 0.00 0.13 3.54 2.43 -1.94 -2.83 114.38 113.08 3m4o h ARG 996 Ca -0.60 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.56 3m4o h ARG 996 Cb 1.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3m4o h ARG 996 CO 0.49 0.00 -0.06 0.93 -1.51 0.00 0.00 179.97 179.82 3m4o h GLU 997 N 0.00 -0.17 0.00 0.20 3.07 -1.95 -3.27 114.58 112.46 3m4o h GLU 997 Ca 0.11 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3m4o h GLU 997 Cb 0.47 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3m4o h GLU 997 CO -0.00 0.27 0.28 -0.44 -1.40 0.00 0.00 179.01 177.72 3m4o h ASP 998 N -0.91 0.00 -3.97 1.42 3.32 -1.78 -3.41 116.42 111.09 3m4o h ASP 998 Ca -0.02 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.58 3m4o h ASP 998 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3m4o h ASP 998 CO 0.03 0.00 0.27 -0.32 -1.72 0.00 0.00 179.24 177.50 3m4o s MET 999 N -3.83 4.15 0.59 3.56 1.75 -1.17 -4.25 119.30 120.10 3m4o s MET 999 Ca -0.03 0.98 -0.17 0.00 -1.25 0.00 0.00 55.69 55.23 3m4o s MET 999 Cb 0.07 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.46 3m4o s MET 999 CO 0.23 0.01 1.08 -1.25 -0.65 0.00 0.00 175.02 174.44 3m4o s PRO 1000N -3.17 3.24 -0.01 4.11 0.04 -1.26 -3.49 135.00 134.46 3m4o s PRO 1000Ca 0.60 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.97 3m4o s PRO 1000Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3m4o s PRO 1000CO 0.15 -0.89 -0.04 -0.59 0.04 0.00 0.00 177.00 175.67 3m4o s PHE 1001N -2.28 0.44 0.62 0.56 -0.12 -0.99 -4.31 117.98 111.90 3m4o s PHE 1001Ca 0.66 -0.08 -0.17 0.00 -0.05 0.00 0.00 56.93 57.29 3m4o s PHE 1001Cb -0.18 -0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3m4o s PHE 1001CO 0.35 -0.04 1.13 -0.08 -0.05 0.00 0.00 175.22 176.53 3m4o s THR 1002N 0.11 3.13 0.48 -4.49 -1.32 -1.04 -1.19 115.64 111.32 3m4o s THR 1002Ca -0.01 0.60 0.21 0.00 -1.21 0.00 0.00 61.69 61.27 3m4o s THR 1002Cb -0.04 -3.15 0.38 0.00 -1.51 0.00 0.00 72.50 68.18 3m4o s THR 1002CO -0.00 -0.26 1.95 0.00 -2.21 0.00 0.00 174.62 174.09 3m4o h ALA 1003N 0.45 2.32 -0.00 11.08 0.00 -1.90 0.44 119.26 131.65 3m4o h ALA 1003Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3m4o h ALA 1003Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3m4o h ALA 1003CO 0.55 -0.51 -0.00 0.39 0.00 0.00 0.00 179.25 179.68 3m4o n GLU 1004N -4.42 0.92 0.00 0.00 1.02 -1.26 -4.88 120.64 112.02 3m4o n GLU 1004Ca 0.13 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3m4o n GLU 1004Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3m4o n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m4o n GLY 1005N 1.06 0.99 3.69 0.62 0.00 0.15 -5.08 105.19 106.61 3m4o n GLY 1005Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3m4o n GLY 1005CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m4o n ILE 1006N -1.19 1.81 -4.13 -0.61 2.08 -1.25 -4.82 119.36 111.25 3m4o n ILE 1006Ca 0.00 -0.19 -0.11 0.00 0.56 0.00 0.00 62.75 63.02 3m4o n ILE 1006Cb 0.00 -1.17 -0.10 0.00 -0.75 0.00 0.00 39.64 37.61 3m4o n ILE 1006CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3m4o s VAL 1007N -2.18 0.60 0.11 1.39 1.01 -1.26 -2.49 120.40 117.58 3m4o s VAL 1007Ca 0.73 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3m4o s VAL 1007Cb -0.29 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 3m4o s VAL 1007CO 0.52 -0.77 0.63 -2.16 0.00 0.00 0.00 175.10 173.31 3m4o s PRO 1008N -3.29 4.28 0.47 2.72 0.04 -1.26 -4.92 135.00 133.04 3m4o s PRO 1008Ca 0.06 0.83 0.27 0.00 0.04 0.00 0.00 61.00 62.20 3m4o s PRO 1008Cb 0.02 -3.20 0.96 0.00 0.04 0.00 0.00 34.50 32.31 3m4o s PRO 1008CO -0.04 0.60 1.83 -0.44 0.04 0.00 0.00 177.00 178.99 3m4o h ASP 1009N 4.36 0.00 -2.98 6.66 3.32 -1.46 -3.37 116.42 122.95 3m4o h ASP 1009Ca -0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 3m4o h ASP 1009Cb 1.21 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 3m4o h ASP 1009CO 0.64 0.12 -0.23 -0.22 -1.72 0.00 0.00 179.24 177.84 3m4o s LEU 1010N -6.45 -0.44 -0.11 1.55 2.96 -0.58 -0.89 118.68 114.71 3m4o s LEU 1010Ca 0.02 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3m4o s LEU 1010Cb 0.09 1.64 -0.02 0.00 0.50 0.00 0.00 46.19 48.40 3m4o s LEU 1010CO 0.61 -0.21 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.67 3m4o s ILE 1011N 1.75 3.09 0.01 6.68 1.01 -0.48 0.10 121.20 133.36 3m4o s ILE 1011Ca -0.08 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 59.96 3m4o s ILE 1011Cb -0.08 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3m4o s ILE 1011CO -0.15 0.54 -0.17 0.27 0.00 0.00 0.00 174.94 175.43 3m4o s ILE 1012N 0.10 1.36 0.30 2.92 -4.36 0.05 -2.13 121.20 119.45 3m4o s ILE 1012Ca -0.06 -0.86 -0.29 0.00 -0.26 0.00 0.00 60.65 59.18 3m4o s ILE 1012Cb -0.15 -1.16 -0.11 0.00 1.25 0.00 0.00 42.46 42.30 3m4o s ILE 1012CO 0.04 0.28 1.48 0.21 0.24 0.00 0.00 174.94 177.20 3m4o s ASN 1013N -0.67 6.51 0.00 4.36 3.84 -1.21 -2.23 114.94 125.54 3m4o s ASN 1013Ca 0.06 2.85 0.03 0.00 0.21 0.00 0.00 52.86 56.00 3m4o s ASN 1013Cb -0.07 -2.64 0.17 0.00 -0.55 0.00 0.00 41.25 38.16 3m4o s ASN 1013CO 0.00 -0.79 0.57 -2.65 -2.79 0.00 0.00 177.10 171.45 3m4o n PRO 1014N 1.66 0.39 0.08 0.43 -0.02 -1.26 -2.73 135.00 133.55 3m4o n PRO 1014Ca 0.05 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 3m4o n PRO 1014Cb 0.39 -1.12 0.14 0.00 -0.02 0.00 0.00 33.50 32.90 3m4o n PRO 1014CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3m4o h HIS 1015N 0.00 0.00 -0.27 6.00 3.86 -1.94 -3.21 115.15 119.59 3m4o h HIS 1015Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3m4o h HIS 1015Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3m4o h HIS 1015CO 0.00 0.00 0.09 0.00 0.86 0.00 0.00 177.93 178.88 3m4o n ALA 1016N -1.92 3.24 0.00 2.45 0.00 -1.10 -4.30 120.51 118.88 3m4o n ALA 1016Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3m4o n ALA 1016Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3m4o n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3m4o n ILE 1017N 0.10 0.00 0.04 0.00 2.08 -1.21 -4.65 119.36 115.72 3m4o n ILE 1017Ca 0.15 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.49 3m4o n ILE 1017Cb 0.72 -0.16 -0.07 0.00 -0.75 0.00 0.00 39.64 39.38 3m4o n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3m4o n PRO 1018N -1.59 0.62 -0.57 0.38 -0.02 -1.26 -3.94 135.00 128.62 3m4o n PRO 1018Ca 0.00 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.70 3m4o n PRO 1018Cb 0.21 -1.78 0.28 0.00 -0.02 0.00 0.00 33.50 32.19 3m4o n PRO 1018CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3m4o n SER 1019N -2.77 4.17 0.00 2.55 3.41 -1.26 -3.82 113.62 115.91 3m4o n SER 1019Ca -0.07 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 3m4o n SER 1019Cb 0.74 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3m4o n SER 1019CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3m4o n ARG 1020N -0.34 0.99 -2.98 4.33 1.85 -1.26 -5.00 116.66 114.25 3m4o n ARG 1020Ca 0.24 -0.81 -0.20 0.00 -1.00 0.00 0.00 57.85 56.08 3m4o n ARG 1020Cb 0.98 -0.73 -0.04 0.00 -1.05 0.00 0.00 32.46 31.63 3m4o n ARG 1020CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3m4o n MET 1021N -0.18 -1.09 -1.46 2.89 2.81 -1.25 -4.65 117.12 114.18 3m4o n MET 1021Ca 0.00 0.07 -0.36 0.00 -1.81 0.00 0.00 57.70 55.59 3m4o n MET 1021Cb 0.33 -2.75 -0.07 0.00 -0.71 0.00 0.00 33.22 30.02 3m4o n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3m4o n THR 1022N -2.38 1.60 0.11 2.03 5.66 -1.26 -4.02 114.28 116.03 3m4o n THR 1022Ca 0.06 -1.52 0.08 0.00 -3.05 0.00 0.00 64.05 59.62 3m4o n THR 1022Cb 0.27 -2.22 0.02 0.00 -1.55 0.00 0.00 70.33 66.85 3m4o n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3m4o h VAL 1023N 5.27 0.19 0.16 1.08 2.07 -1.85 -3.31 116.25 119.86 3m4o h VAL 1023Ca 0.31 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3m4o h VAL 1023Cb 0.79 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 3m4o h VAL 1023CO 1.64 0.11 -0.28 0.00 0.02 0.00 0.00 177.57 179.07 3m4o h ALA 1024N 1.83 -0.50 -0.69 1.67 0.00 -1.80 -2.29 119.26 117.47 3m4o h ALA 1024Ca -0.04 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3m4o h ALA 1024Cb 1.16 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 3m4o h ALA 1024CO 0.02 -0.83 -0.40 1.58 0.00 0.00 0.00 179.25 179.62 3m4o n HIS 1025N -5.39 -0.28 0.02 0.00 -0.00 -1.24 0.72 115.22 109.04 3m4o n HIS 1025Ca -0.07 0.86 0.05 0.00 -0.00 0.00 0.00 57.72 58.56 3m4o n HIS 1025Cb 0.30 -0.57 0.45 0.00 -0.00 0.00 0.00 29.99 30.17 3m4o n HIS 1025CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3m4o h LEU 1026N 0.00 0.43 0.16 0.27 3.38 -1.63 -2.05 115.31 115.87 3m4o h LEU 1026Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3m4o h LEU 1026Cb 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m4o h LEU 1026CO -0.65 0.31 -0.08 0.40 0.09 0.00 0.00 178.44 178.51 3m4o h ILE 1027N 0.50 0.50 -0.59 1.22 2.04 0.81 -3.02 117.51 118.98 3m4o h ILE 1027Ca 0.14 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.97 3m4o h ILE 1027Cb -0.03 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3m4o h ILE 1027CO -0.03 0.15 -0.33 1.21 0.00 0.00 0.00 178.15 179.14 3m4o n GLU 1028N -4.90 -0.25 0.05 2.37 2.13 0.22 -0.19 120.64 120.07 3m4o n GLU 1028Ca -0.06 0.89 -0.14 0.00 0.66 0.00 0.00 57.16 58.51 3m4o n GLU 1028Cb 0.20 -1.31 -0.09 0.00 0.27 0.00 0.00 31.44 30.51 3m4o n GLU 1028CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3m4o h LEU 1030N -0.61 0.63 -0.14 0.00 5.85 -0.44 -0.70 115.31 119.90 3m4o h LEU 1030Ca 0.01 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3m4o h LEU 1030Cb 0.66 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3m4o h LEU 1030CO -0.33 0.25 -0.45 0.25 -0.34 0.00 0.00 178.44 177.83 3m4o h LEU 1031N 0.63 0.63 -1.82 2.25 5.85 0.96 -3.16 115.31 120.65 3m4o h LEU 1031Ca 0.52 -0.60 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3m4o h LEU 1031Cb 0.98 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3m4o h LEU 1031CO -0.28 1.12 -0.15 0.28 -0.34 0.00 0.00 178.44 179.08 3m4o h SER 1032N 0.17 0.00 -0.20 1.25 0.02 0.16 -1.11 113.55 113.85 3m4o h SER 1032Ca -0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3m4o h SER 1032Cb 1.07 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3m4o h SER 1032CO 0.09 0.15 -0.02 0.50 -1.14 0.00 0.00 176.83 176.41 3m4o h LYS 1033N 0.00 0.36 -0.12 3.45 3.64 -1.20 -2.36 116.57 120.35 3m4o h LYS 1033Ca -0.00 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 3m4o h LYS 1033Cb 0.32 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3m4o h LYS 1033CO 0.02 0.59 -0.53 0.28 -2.27 0.00 0.00 179.45 177.53 3m4o h VAL 1034N 0.11 1.35 0.35 2.00 2.07 -1.26 -2.11 116.25 118.75 3m4o h VAL 1034Ca 0.05 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3m4o h VAL 1034Cb 0.44 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3m4o h VAL 1034CO 0.01 0.54 -0.17 0.00 0.02 0.00 0.00 177.57 177.98 3m4o h ALA 1035N 1.17 -0.48 -0.60 1.67 0.00 -1.29 0.26 119.26 120.00 3m4o h ALA 1035Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3m4o h ALA 1035Cb 1.03 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3m4o h ALA 1035CO 0.09 -0.70 0.40 0.00 0.00 0.00 0.00 179.25 179.04 3m4o h ALA 1036N -0.01 1.94 0.18 0.00 0.00 -1.34 0.31 119.26 120.33 3m4o h ALA 1036Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m4o h ALA 1036Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3m4o h ALA 1036CO 0.08 -0.06 -0.08 -0.07 0.00 0.00 0.00 179.25 179.12 3m4o h LEU 1037N 0.48 -0.20 -1.64 0.00 3.38 -1.27 -3.36 115.31 112.70 3m4o h LEU 1037Ca 0.27 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3m4o h LEU 1037Cb 0.45 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3m4o h LEU 1037CO -0.08 0.32 -0.20 0.77 0.09 0.00 0.00 178.44 179.34 3m4o h SER 1038N -1.03 0.00 0.00 -0.43 4.64 -0.28 -3.47 113.55 112.98 3m4o h SER 1038Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3m4o h SER 1038Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3m4o h SER 1038CO 0.04 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3m4o n GLY 1039N -0.90 0.82 3.67 -0.77 0.00 0.11 -5.07 105.19 103.04 3m4o n GLY 1039Ca -0.02 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3m4o n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m4o s ASN 1040N -2.62 3.75 0.29 1.61 0.01 -1.14 -5.05 114.94 111.79 3m4o s ASN 1040Ca 0.00 -1.58 -0.15 0.00 -0.71 0.00 0.00 52.86 50.42 3m4o s ASN 1040Cb 0.00 0.29 -0.09 0.00 0.41 0.00 0.00 41.25 41.87 3m4o s ASN 1040CO 0.00 -0.77 0.70 -0.70 -1.51 0.00 0.00 177.10 174.82 3m4o s GLU 1041N -3.82 4.01 -0.17 -0.60 2.12 -1.26 -4.42 118.70 114.56 3m4o s GLU 1041Ca 0.17 0.64 -0.20 0.00 0.36 0.00 0.00 54.97 55.93 3m4o s GLU 1041Cb 0.04 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 3m4o s GLU 1041CO 0.09 0.22 0.60 0.20 -0.54 0.00 0.00 175.26 175.82 3m4o s GLY 1042N -2.19 2.17 -1.30 -1.50 0.00 0.47 -4.97 107.32 100.00 3m4o s GLY 1042Ca 0.51 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.88 3m4o s GLY 1042CO 0.18 1.18 1.85 1.34 0.00 0.00 0.00 173.10 177.65 3m4o n ASP 1043N 4.64 4.88 -1.24 1.64 2.03 -1.26 0.38 116.55 127.61 3m4o n ASP 1043Ca -0.03 -3.02 -0.04 0.00 0.52 0.00 0.00 54.79 52.22 3m4o n ASP 1043Cb 0.50 -1.55 0.03 0.00 -0.72 0.00 0.00 41.12 39.38 3m4o n ASP 1043CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3m4o n ALA 1044N 4.96 3.15 -1.75 -1.67 0.00 -0.59 -4.91 120.51 119.70 3m4o n ALA 1044Ca 0.42 -0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 3m4o n ALA 1044Cb 0.39 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.80 3m4o n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3m4o s SER 1045N 0.71 5.08 0.00 0.00 0.01 -1.19 -0.97 113.70 117.34 3m4o s SER 1045Ca 0.09 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.83 3m4o s SER 1045Cb 0.08 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.70 3m4o s SER 1045CO 0.02 -1.67 0.79 -2.65 0.41 0.00 0.00 173.24 170.14 3m4o n PRO 1046N -1.58 0.00 -3.04 12.44 -0.02 -1.26 -4.32 135.00 137.21 3m4o n PRO 1046Ca 0.14 0.32 -0.45 0.00 -2.02 0.00 0.00 63.50 61.49 3m4o n PRO 1046Cb 0.49 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 3m4o n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3m4o s PHE 1047N -2.18 3.41 0.04 6.00 0.40 -1.26 -4.81 117.98 119.58 3m4o s PHE 1047Ca 0.00 -1.76 0.01 0.00 -0.60 0.00 0.00 56.93 54.58 3m4o s PHE 1047Cb 0.00 -4.16 -0.00 0.00 0.51 0.00 0.00 43.02 39.37 3m4o s PHE 1047CO 0.00 -1.33 0.02 0.25 0.70 0.00 0.00 175.22 174.86 3m4o n THR 1048N 4.81 0.00 -1.22 0.64 -2.24 -1.26 -5.04 114.28 109.97 3m4o n THR 1048Ca 0.24 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 3m4o n THR 1048Cb 0.47 0.10 0.20 0.00 -2.10 0.00 0.00 70.33 69.00 3m4o n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m4o n ASP 1049N -2.25 2.77 -4.66 3.42 8.00 -1.26 -4.96 116.55 117.61 3m4o n ASP 1049Ca -0.00 -3.35 -0.43 0.00 0.71 0.00 0.00 54.79 51.71 3m4o n ASP 1049Cb 0.06 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 3m4o n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m4o s ILE 1050N -3.01 4.57 0.10 0.53 1.01 -1.26 -4.99 121.20 118.15 3m4o s ILE 1050Ca 0.39 1.89 0.07 0.00 0.00 0.00 0.00 60.65 63.00 3m4o s ILE 1050Cb 0.34 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3m4o s ILE 1050CO 0.03 -0.18 -0.11 -0.89 0.00 0.00 0.00 174.94 173.78 3m4o s THR 1051N 3.30 3.31 0.61 2.92 2.01 -1.26 -5.00 115.64 121.53 3m4o s THR 1051Ca 0.47 -1.27 0.32 0.00 0.31 0.00 0.00 61.69 61.51 3m4o s THR 1051Cb -0.17 -2.54 0.37 0.00 0.01 0.00 0.00 72.50 70.18 3m4o s THR 1051CO 0.09 0.13 2.16 0.58 -0.69 0.00 0.00 174.62 176.89 3m4o h VAL 1052N 3.32 0.37 0.06 3.82 2.07 -1.96 0.72 116.25 124.65 3m4o h VAL 1052Ca -0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3m4o h VAL 1052Cb 1.17 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3m4o h VAL 1052CO 0.51 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.75 3m4o h GLU 1053N 0.00 -0.07 -0.72 1.57 4.39 -1.95 -0.02 114.58 117.78 3m4o h GLU 1053Ca 0.05 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.79 3m4o h GLU 1053Cb 0.32 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 3m4o h GLU 1053CO -0.00 0.51 0.44 0.78 -1.16 0.00 0.00 179.01 179.58 3m4o h GLY 1054N -0.91 1.04 0.91 -3.84 0.00 -1.88 0.24 103.07 98.64 3m4o h GLY 1054Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3m4o h GLY 1054CO 0.01 0.26 0.48 -2.22 0.00 0.00 0.00 176.54 175.07 3m4o h ILE 1055N 0.85 1.13 0.78 2.60 1.08 -0.94 -2.52 117.51 120.49 3m4o h ILE 1055Ca 0.30 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 3m4o h ILE 1055Cb 0.06 0.10 0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3m4o h ILE 1055CO -0.13 0.17 -0.38 0.28 -0.69 0.00 0.00 178.15 177.41 3m4o h SER 1056N 0.95 -0.89 -1.89 1.72 0.02 -0.29 -1.66 113.55 111.52 3m4o h SER 1056Ca 0.29 0.03 0.56 0.00 -0.84 0.00 0.00 61.79 61.83 3m4o h SER 1056Cb -0.02 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.66 3m4o h SER 1056CO -0.10 -0.57 1.34 0.29 -1.14 0.00 0.00 176.83 176.65 3m4o n LYS 1057N -5.18 -0.01 -0.04 3.45 5.02 0.76 0.14 118.16 122.30 3m4o n LYS 1057Ca -0.13 1.11 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 3m4o n LYS 1057Cb 0.41 -2.50 -0.11 0.00 -0.02 0.00 0.00 35.03 32.81 3m4o n LYS 1057CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3m4o h LEU 1058N 0.00 -0.00 -1.62 -0.35 3.38 -1.14 -2.74 115.31 112.83 3m4o h LEU 1058Ca 0.93 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3m4o h LEU 1058Cb 3.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 44.38 3m4o h LEU 1058CO -0.09 0.75 -0.21 0.25 0.09 0.00 0.00 178.44 179.23 3m4o h LEU 1059N -0.76 0.00 0.05 1.67 5.85 0.66 -2.34 115.31 120.44 3m4o h LEU 1059Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3m4o h LEU 1059Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3m4o h LEU 1059CO 0.00 0.21 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.20 3m4o h ARG 1060N 0.00 -0.06 0.00 1.25 9.65 -1.14 -2.42 114.38 121.65 3m4o h ARG 1060Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3m4o h ARG 1060Cb 0.43 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 3m4o h ARG 1060CO 0.03 0.22 0.54 1.49 2.80 0.00 0.00 179.97 185.05 3m4o h GLU 1061N -0.34 0.00 -0.05 0.20 4.81 -1.10 -1.02 114.58 117.08 3m4o h GLU 1061Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3m4o h GLU 1061Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3m4o h GLU 1061CO 0.01 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.01 3m4o n HIS 1062N -2.15 0.06 0.00 0.92 8.25 -0.93 -5.03 115.22 116.34 3m4o n HIS 1062Ca -0.01 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3m4o n HIS 1062Cb 0.56 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.66 3m4o n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m4o n GLY 1063N 0.40 2.40 3.97 -1.41 0.00 -0.39 -5.07 105.19 105.10 3m4o n GLY 1063Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3m4o n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m4o s TYR 1064N -2.34 3.34 0.12 1.61 1.51 -1.19 -5.03 117.35 115.37 3m4o s TYR 1064Ca 0.00 0.03 -0.31 0.00 -1.01 0.00 0.00 57.07 55.78 3m4o s TYR 1064Cb 0.00 -1.84 -0.11 0.00 -0.11 0.00 0.00 41.96 39.90 3m4o s TYR 1064CO 0.00 0.16 1.82 0.94 -1.11 0.00 0.00 175.55 177.36 3m4o n GLN 1065N -1.63 2.75 -0.42 -0.62 -0.06 -1.26 -3.85 117.38 112.28 3m4o n GLN 1065Ca -0.04 1.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.94 3m4o n GLN 1065Cb 0.57 -2.89 -0.02 0.00 -4.06 0.00 0.00 30.24 23.85 3m4o n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3m4o n SER 1066N 5.47 3.97 0.00 1.69 3.41 -1.26 -2.46 113.62 124.45 3m4o n SER 1066Ca 0.18 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3m4o n SER 1066Cb 0.37 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3m4o n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3m4o n ARG 1067N 1.77 0.00 -0.63 4.33 5.12 -1.26 -4.58 116.66 121.40 3m4o n ARG 1067Ca 0.04 -0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 3m4o n ARG 1067Cb 0.42 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 3m4o n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m4o n GLY 1068N 0.00 0.67 3.89 -0.13 0.00 -1.03 -4.94 105.19 103.65 3m4o n GLY 1068Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3m4o n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m4o s PHE 1069N -2.00 3.45 -0.30 1.61 0.40 -1.25 -0.79 117.98 119.10 3m4o s PHE 1069Ca 0.00 0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 57.01 3m4o s PHE 1069Cb 0.00 -2.20 0.18 0.00 0.51 0.00 0.00 43.02 41.51 3m4o s PHE 1069CO 0.00 0.20 0.91 -1.21 0.70 0.00 0.00 175.22 175.81 3m4o s GLU 1070N -3.22 0.32 -0.20 0.44 2.02 -0.56 -4.18 118.70 113.31 3m4o s GLU 1070Ca 0.46 0.61 -0.36 0.00 0.02 0.00 0.00 54.97 55.69 3m4o s GLU 1070Cb -0.11 0.34 -0.13 0.00 0.10 0.00 0.00 34.13 34.33 3m4o s GLU 1070CO 0.26 -0.31 1.89 0.28 0.02 0.00 0.00 175.26 177.41 3m4o n VAL 1071N 5.39 0.42 -3.79 2.63 0.31 -1.26 -3.43 118.33 118.59 3m4o n VAL 1071Ca -0.06 -0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 63.93 3m4o n VAL 1071Cb 0.53 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.79 3m4o n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3m4o s MET 1072N 4.31 2.44 -0.08 5.55 -1.94 -1.26 -3.73 119.30 124.59 3m4o s MET 1072Ca 0.98 -1.61 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 3m4o s MET 1072Cb -0.85 -2.25 0.02 0.00 2.01 0.00 0.00 34.83 33.76 3m4o s MET 1072CO 0.56 -0.13 -0.12 0.71 -0.01 0.00 0.00 175.02 176.04 3m4o s TYR 1073N -2.50 1.56 0.17 -0.03 1.51 -0.34 -0.62 117.35 117.10 3m4o s TYR 1073Ca 0.45 -0.65 -0.33 0.00 -1.01 0.00 0.00 57.07 55.53 3m4o s TYR 1073Cb -0.01 -1.17 -0.13 0.00 -0.11 0.00 0.00 41.96 40.54 3m4o s TYR 1073CO 0.26 -0.36 1.66 -1.71 -1.11 0.00 0.00 175.55 174.29 3m4o n ASN 1074N 4.10 3.53 -0.24 2.29 2.85 -1.12 -2.35 115.26 124.31 3m4o n ASN 1074Ca -0.20 1.06 0.04 0.00 -0.11 0.00 0.00 54.58 55.38 3m4o n ASN 1074Cb 0.51 -1.49 0.15 0.00 1.24 0.00 0.00 39.78 40.19 3m4o n ASN 1074CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3m4o h GLY 1075N 6.53 0.85 1.46 8.20 0.00 -1.73 0.13 103.07 118.50 3m4o h GLY 1075Ca -0.44 0.06 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 3m4o h GLY 1075CO 0.92 -0.25 -0.39 0.45 0.00 0.00 0.00 176.54 177.28 3m4o h HIS 1076N 0.15 0.71 0.00 5.60 3.86 -1.78 -3.39 115.15 120.30 3m4o h HIS 1076Ca 0.39 -0.20 -0.29 0.00 -1.16 0.00 0.00 60.37 59.11 3m4o h HIS 1076Cb 0.68 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 3m4o h HIS 1076CO -0.36 0.90 -2.00 2.41 0.86 0.00 0.00 177.93 179.73 3m4o n THR 1077N -4.04 0.99 -0.04 2.45 -1.04 -1.11 -5.00 114.28 106.50 3m4o n THR 1077Ca -0.02 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 3m4o n THR 1077Cb 0.51 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 3m4o n THR 1077CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m4o n GLY 1078N 2.13 0.43 3.60 3.41 0.00 0.42 -5.02 105.19 110.16 3m4o n GLY 1078Ca -0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 3m4o n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m4o s LYS 1079N -0.95 3.76 0.01 1.61 2.20 -1.26 -4.66 119.74 120.46 3m4o s LYS 1079Ca 0.00 0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 56.05 3m4o s LYS 1079Cb 0.00 -3.86 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 3m4o s LYS 1079CO 0.00 -1.17 0.30 1.63 -0.36 0.00 0.00 175.35 175.75 3m4o n LYS 1080N 7.29 0.00 -2.39 4.03 5.02 -1.26 -2.80 118.16 128.05 3m4o n LYS 1080Ca 0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 3m4o n LYS 1080Cb 0.48 -0.43 -0.03 0.00 -0.02 0.00 0.00 35.03 35.03 3m4o n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3m4o s LEU 1081N 0.16 4.42 0.30 -0.35 1.43 0.20 -4.76 118.68 120.09 3m4o s LEU 1081Ca 0.26 2.15 0.08 0.00 -1.03 0.00 0.00 54.13 55.59 3m4o s LEU 1081Cb -0.37 -3.60 0.47 0.00 0.03 0.00 0.00 46.19 42.72 3m4o s LEU 1081CO 0.17 -0.40 1.70 0.24 0.23 0.00 0.00 176.35 178.29 3m4o h MET 1082N 5.81 0.17 -5.72 1.70 2.86 -1.88 -3.41 114.93 114.46 3m4o h MET 1082Ca -0.43 -0.08 -0.67 0.00 -2.06 0.00 0.00 59.70 56.45 3m4o h MET 1082Cb 1.21 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.79 3m4o h MET 1082CO 0.77 0.59 -0.50 0.00 1.06 0.00 0.00 176.91 178.82 3m4o s ALA 1083N -4.05 3.80 0.45 6.32 0.00 -1.26 -5.11 121.76 121.90 3m4o s ALA 1083Ca -0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3m4o s ALA 1083Cb 0.13 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3m4o s ALA 1083CO 0.76 0.63 0.79 -0.65 0.00 0.00 0.00 175.76 177.30 3m4o s GLN 1084N -1.14 3.67 0.01 0.00 1.11 -1.26 -4.76 119.66 117.29 3m4o s GLN 1084Ca 0.17 0.38 0.04 0.00 0.01 0.00 0.00 55.36 55.96 3m4o s GLN 1084Cb -0.12 -2.36 -0.03 0.00 -1.01 0.00 0.00 33.01 29.48 3m4o s GLN 1084CO 0.06 -0.14 -0.10 0.42 0.01 0.00 0.00 175.29 175.54 3m4o s ILE 1085N -2.57 3.40 -0.03 1.08 1.01 -1.22 -4.86 121.20 118.01 3m4o s ILE 1085Ca 0.50 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3m4o s ILE 1085Cb -0.10 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3m4o s ILE 1085CO 0.38 0.39 1.12 0.12 0.00 0.00 0.00 174.94 176.96 3m4o s PHE 1086N -0.96 3.39 -0.27 3.97 5.36 -1.26 -1.50 117.98 126.72 3m4o s PHE 1086Ca 0.16 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 3m4o s PHE 1086Cb -0.11 -3.32 0.16 0.00 -0.34 0.00 0.00 43.02 39.41 3m4o s PHE 1086CO 0.06 -0.86 0.45 0.12 -1.46 0.00 0.00 175.22 173.54 3m4o s PHE 1087N 1.70 -1.12 0.36 10.12 5.36 0.03 -1.68 117.98 132.76 3m4o s PHE 1087Ca 0.54 0.98 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 3m4o s PHE 1087Cb -0.24 0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.59 3m4o s PHE 1087CO 0.24 -0.83 0.50 0.20 -1.46 0.00 0.00 175.22 173.86 3m4o s GLY 1088N 2.64 1.60 0.21 13.12 0.00 -0.82 -4.85 107.32 119.22 3m4o s GLY 1088Ca 0.14 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 3m4o s GLY 1088CO -0.20 -1.02 1.03 -4.14 0.00 0.00 0.00 173.10 168.77 3m4o s PRO 1089N -2.88 4.70 -0.20 2.90 0.02 -1.26 0.34 135.00 138.62 3m4o s PRO 1089Ca 0.31 1.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.92 3m4o s PRO 1089Cb -0.01 -3.27 0.10 0.00 0.02 0.00 0.00 34.50 31.34 3m4o s PRO 1089CO 0.22 0.26 0.25 0.99 -0.33 0.00 0.00 177.00 178.39 3m4o s THR 1090N -0.69 -0.38 -0.03 0.99 2.01 -0.75 -4.22 115.64 112.58 3m4o s THR 1090Ca 0.45 -0.06 -0.35 0.00 0.31 0.00 0.00 61.69 62.05 3m4o s THR 1090Cb -0.28 -0.67 -0.13 0.00 0.01 0.00 0.00 72.50 71.43 3m4o s THR 1090CO 0.35 -0.15 1.77 0.00 -0.69 0.00 0.00 174.62 175.89 3m4o n TYR 1091N 5.33 2.26 -3.85 4.92 9.36 -1.26 -3.96 117.16 129.96 3m4o n TYR 1091Ca -0.05 0.13 -0.20 0.00 3.32 0.00 0.00 57.90 61.10 3m4o n TYR 1091Cb 0.50 -2.61 -0.17 0.00 -0.63 0.00 0.00 39.34 36.43 3m4o n TYR 1091CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3m4o s TYR 1092N 3.05 0.42 0.24 2.98 5.04 -1.01 -4.06 117.35 124.01 3m4o s TYR 1092Ca 0.89 -0.03 0.07 0.00 -2.44 0.00 0.00 57.07 55.57 3m4o s TYR 1092Cb -0.73 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.97 3m4o s TYR 1092CO 0.49 -0.21 0.13 1.14 -1.34 0.00 0.00 175.55 175.75 3m4o s GLN 1093N 1.52 2.74 -0.43 4.97 -2.07 -1.16 -1.70 119.66 123.53 3m4o s GLN 1093Ca -0.03 -1.12 -0.06 0.00 -1.82 0.00 0.00 55.36 52.34 3m4o s GLN 1093Cb -0.13 -2.47 0.11 0.00 -1.09 0.00 0.00 33.01 29.43 3m4o s GLN 1093CO -0.03 0.41 0.26 0.50 -1.32 0.00 0.00 175.29 175.10 3m4o s ARG 1094N -3.64 2.27 0.80 9.60 3.52 -1.26 -1.88 118.95 128.37 3m4o s ARG 1094Ca 0.32 -1.73 -0.11 0.00 -0.13 0.00 0.00 55.73 54.08 3m4o s ARG 1094Cb -0.08 -3.72 0.07 0.00 -1.56 0.00 0.00 34.95 29.66 3m4o s ARG 1094CO 0.23 -1.08 1.09 -0.51 -0.81 0.00 0.00 175.30 174.22 3m4o s LEU 1095N 1.26 2.61 0.00 -0.88 1.43 -1.19 -2.40 118.68 119.52 3m4o s LEU 1095Ca 0.06 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 3m4o s LEU 1095Cb -0.24 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 41.98 3m4o s LEU 1095CO -0.02 -2.03 0.00 -2.11 0.23 0.00 0.00 176.35 172.42 3m4o n ARG 1096N -3.48 -0.72 -2.26 1.70 1.85 0.00 -4.69 116.66 109.06 3m4o n ARG 1096Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.91 3m4o n ARG 1096Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 3m4o n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3m4o n HIS 1097N -2.20 -2.40 -4.78 2.89 -0.00 -1.26 -4.65 115.22 102.82 3m4o n HIS 1097Ca 0.00 1.05 -0.30 0.00 -0.00 0.00 0.00 57.72 58.47 3m4o n HIS 1097Cb 0.00 -3.06 -0.14 0.00 -0.00 0.00 0.00 29.99 26.79 3m4o n HIS 1097CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3m4o s MET 1098N -1.19 1.85 0.23 -0.41 -1.94 -1.26 -2.34 119.30 114.24 3m4o s MET 1098Ca 0.03 -1.09 -0.13 0.00 -1.71 0.00 0.00 55.69 52.79 3m4o s MET 1098Cb -0.01 -2.04 0.30 0.00 2.01 0.00 0.00 34.83 35.09 3m4o s MET 1098CO 0.48 0.52 1.59 -0.39 -0.01 0.00 0.00 175.02 177.21 3m4o h VAL 1099N 4.10 0.18 0.00 -6.03 -1.51 -1.94 0.14 116.25 111.18 3m4o h VAL 1099Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3m4o h VAL 1099Cb 1.15 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 3m4o h VAL 1099CO 0.44 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.25 3m4o n ASP 1100N -5.50 0.00 0.02 4.19 8.00 -1.26 -0.15 116.55 121.85 3m4o n ASP 1100Ca 0.10 -1.13 0.12 0.00 0.71 0.00 0.00 54.79 54.59 3m4o n ASP 1100Cb 0.40 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.66 3m4o n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m4o n ASP 1101N -0.69 0.60 -0.06 -2.24 8.00 0.47 -4.60 116.55 118.03 3m4o n ASP 1101Ca 0.06 -0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 3m4o n ASP 1101Cb 0.03 0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 3m4o n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m4o n LYS 1102N -1.76 0.26 -1.47 -1.24 4.76 0.79 -5.00 118.16 114.50 3m4o n LYS 1102Ca 0.04 0.09 -0.44 0.00 -2.87 0.00 0.00 58.31 55.13 3m4o n LYS 1102Cb 0.38 -1.04 -0.11 0.00 -1.84 0.00 0.00 35.03 32.42 3m4o n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3m4o n ILE 1103N -3.23 0.00 -4.65 -0.18 2.08 -0.33 -4.90 119.36 108.16 3m4o n ILE 1103Ca -0.21 -0.19 -0.23 0.00 0.56 0.00 0.00 62.75 62.67 3m4o n ILE 1103Cb 0.68 -1.10 -0.15 0.00 -0.75 0.00 0.00 39.64 38.32 3m4o n ILE 1103CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3m4o s HIS 1104N 9.07 1.41 -0.07 1.39 5.65 -1.26 -4.99 115.29 126.48 3m4o s HIS 1104Ca 1.23 -0.29 -0.04 0.00 0.25 0.00 0.00 55.06 56.21 3m4o s HIS 1104Cb -1.02 -0.88 0.03 0.00 -1.18 0.00 0.00 32.58 29.52 3m4o s HIS 1104CO 0.47 0.00 0.17 0.00 -0.65 0.00 0.00 174.74 174.72 3m4o s ALA 1105N -0.50 -0.35 0.00 1.58 0.00 -1.26 -5.13 121.76 116.09 3m4o s ALA 1105Ca 0.05 0.65 0.03 0.00 0.00 0.00 0.00 51.96 52.70 3m4o s ALA 1105Cb -0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3m4o s ALA 1105CO 0.00 -0.14 -0.10 0.50 0.00 0.00 0.00 175.76 176.03 3m4o s ARG 1106N 0.82 0.75 -0.48 0.00 3.52 -1.26 -4.99 118.95 117.31 3m4o s ARG 1106Ca -0.06 -0.41 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 3m4o s ARG 1106Cb -0.08 -0.72 0.18 0.00 -1.56 0.00 0.00 34.95 32.78 3m4o s ARG 1106CO -0.04 0.19 0.66 0.00 -0.81 0.00 0.00 175.30 175.30 3m4o s ALA 1107N -0.38 -1.77 0.00 6.12 0.00 -1.26 -5.06 121.76 119.41 3m4o s ALA 1107Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3m4o s ALA 1107Cb -0.05 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.48 3m4o s ALA 1107CO -0.00 -2.21 0.00 -2.13 0.00 0.00 0.00 175.76 171.42 3m4o n ARG 1108N 3.31 0.00 -3.11 0.00 0.63 -1.26 -5.15 116.66 111.08 3m4o n ARG 1108Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 3m4o n ARG 1108Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 3m4o n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m4o n GLY 1109N -1.56 -0.52 3.52 5.14 0.00 -1.26 -5.09 105.19 105.43 3m4o n GLY 1109Ca 0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3m4o n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m4o n PRO 1110N 0.00 0.07 -4.24 1.61 -0.04 -1.26 -4.96 135.00 126.17 3m4o n PRO 1110Ca 0.00 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 3m4o n PRO 1110Cb 0.00 -2.03 -0.12 0.00 -0.04 0.00 0.00 33.50 31.32 3m4o n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3m4o s MET 1111N -3.46 1.03 0.94 0.54 -1.94 -1.26 -3.20 119.30 111.94 3m4o s MET 1111Ca 0.65 -1.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.34 3m4o s MET 1111Cb -0.29 -1.03 0.16 0.00 2.01 0.00 0.00 34.83 35.68 3m4o s MET 1111CO 0.59 0.22 1.10 -0.65 -0.01 0.00 0.00 175.02 176.26 3m4o s GLN 1112N -2.33 0.84 -0.09 2.03 -0.21 0.35 -4.71 119.66 115.55 3m4o s GLN 1112Ca 0.07 1.17 -0.23 0.00 0.02 0.00 0.00 55.36 56.38 3m4o s GLN 1112Cb -0.07 -1.73 -0.29 0.00 1.00 0.00 0.00 33.01 31.92 3m4o s GLN 1112CO 0.04 -2.63 0.79 0.28 -2.12 0.00 0.00 175.29 171.65 3m4o h VAL 1113N -1.85 1.52 -0.86 1.09 2.07 -1.98 -3.16 116.25 113.08 3m4o h VAL 1113Ca -0.49 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 64.57 3m4o h VAL 1113Cb 1.28 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 34.17 3m4o h VAL 1113CO 0.48 0.67 0.52 0.25 0.02 0.00 0.00 177.57 179.50 3m4o h LEU 1114N -0.57 1.03 -0.14 2.57 5.85 -1.95 -3.31 115.31 118.79 3m4o h LEU 1114Ca -0.13 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3m4o h LEU 1114Cb 1.46 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3m4o h LEU 1114CO 0.08 0.80 -0.39 0.35 -0.34 0.00 0.00 178.44 178.94 3m4o n THR 1115N -4.42 0.00 -1.05 1.05 -2.24 -1.26 -4.96 114.28 101.40 3m4o n THR 1115Ca 0.09 -0.31 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3m4o n THR 1115Cb 0.06 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 3m4o n THR 1115CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3m4o n ARG 1116N -1.03 -1.79 -2.74 -0.78 5.12 -1.19 -4.15 116.66 110.10 3m4o n ARG 1116Ca 0.02 0.61 -0.30 0.00 -1.93 0.00 0.00 57.85 56.26 3m4o n ARG 1116Cb 0.15 -4.81 -0.02 0.00 -1.16 0.00 0.00 32.46 26.62 3m4o n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3m4o s GLN 1117N -2.25 3.73 0.66 5.56 -0.21 -1.26 -4.23 119.66 121.65 3m4o s GLN 1117Ca 0.00 0.45 -0.14 0.00 0.02 0.00 0.00 55.36 55.68 3m4o s GLN 1117Cb 0.00 -2.36 -0.00 0.00 1.00 0.00 0.00 33.01 31.65 3m4o s GLN 1117CO 0.00 -0.11 1.09 -2.14 -2.12 0.00 0.00 175.29 172.01 3m4o s PRO 1118N -4.11 2.85 0.37 2.91 0.02 -1.26 0.13 135.00 135.91 3m4o s PRO 1118Ca 0.51 1.30 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 3m4o s PRO 1118Cb -0.10 -1.96 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 3m4o s PRO 1118CO 0.35 -1.20 0.83 0.14 -0.33 0.00 0.00 177.00 176.80 3m4o s VAL 1119N -2.48 4.56 0.28 3.83 -7.23 -1.20 -4.49 120.40 113.68 3m4o s VAL 1119Ca 0.65 1.17 -0.16 0.00 -1.81 0.00 0.00 61.98 61.83 3m4o s VAL 1119Cb -0.19 -3.61 -0.09 0.00 0.56 0.00 0.00 36.38 33.06 3m4o s VAL 1119CO 0.43 -0.26 0.71 -0.70 -0.31 0.00 0.00 175.10 174.97 3m4o s GLU 1120N -3.12 4.05 0.00 4.82 2.12 -1.26 -1.83 118.70 123.48 3m4o s GLU 1120Ca 0.57 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.59 3m4o s GLU 1120Cb -0.10 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 31.71 3m4o s GLU 1120CO 0.16 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 3m4o n GLY 1121N -0.02 -1.02 0.22 -1.50 0.00 -1.26 -4.56 105.19 97.04 3m4o n GLY 1121Ca 0.01 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.85 3m4o n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m4o h ARG 1122N 0.00 0.00 0.00 1.61 0.11 -1.92 0.14 114.38 114.32 3m4o h ARG 1122Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3m4o h ARG 1122Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 3m4o h ARG 1122CO 0.00 0.26 -0.01 0.66 0.10 0.00 0.00 179.97 180.98 3m4o h SER 1123N 0.00 0.00 -0.56 0.08 4.64 -1.99 -1.82 113.55 113.90 3m4o h SER 1123Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 3m4o h SER 1123Cb 0.53 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.47 3m4o h SER 1123CO 0.03 0.01 0.17 0.54 -0.87 0.00 0.00 176.83 176.72 3m4o n ARG 1124N -3.14 2.32 -3.96 4.77 3.00 -0.85 -4.82 116.66 113.99 3m4o n ARG 1124Ca -0.01 -3.09 -0.30 0.00 -0.01 0.00 0.00 57.85 54.44 3m4o n ARG 1124Cb 0.20 -1.97 -0.01 0.00 0.00 0.00 0.00 32.46 30.68 3m4o n ARG 1124CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3m4o n ASP 1125N -0.93 -1.60 -2.53 0.55 2.03 -0.68 -4.85 116.55 108.53 3m4o n ASP 1125Ca 0.40 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.63 3m4o n ASP 1125Cb 1.24 -2.77 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 3m4o n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m4o n GLY 1126N -2.02 -1.33 3.32 0.27 0.00 -0.02 -4.61 105.19 100.80 3m4o n GLY 1126Ca -0.25 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 43.96 3m4o n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3m4o s GLY 1127N -2.12 1.34 0.03 -0.02 0.00 -0.76 -4.67 107.32 101.11 3m4o s GLY 1127Ca 0.00 -1.41 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 3m4o s GLY 1127CO 0.00 -1.45 0.78 1.08 0.00 0.00 0.00 173.10 173.51 3m4o s LEU 1128N -2.45 4.42 -0.23 0.66 1.02 -1.26 -4.64 118.68 116.21 3m4o s LEU 1128Ca 0.13 1.44 -0.29 0.00 0.02 0.00 0.00 54.13 55.43 3m4o s LEU 1128Cb -0.07 -3.25 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 3m4o s LEU 1128CO 0.06 -0.03 1.44 -0.60 0.02 0.00 0.00 176.35 177.24 3m4o s ARG 1129N 0.16 3.93 -1.02 1.70 3.52 -1.26 -4.92 118.95 121.06 3m4o s ARG 1129Ca 0.40 1.53 -0.23 0.00 -0.13 0.00 0.00 55.73 57.30 3m4o s ARG 1129Cb -0.20 -3.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.28 3m4o s ARG 1129CO 0.23 -1.11 1.65 0.12 -0.81 0.00 0.00 175.30 175.38 3m4o s PHE 1130N 4.53 2.31 0.67 5.12 5.36 -1.26 -4.95 117.98 129.76 3m4o s PHE 1130Ca 0.63 -0.41 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 3m4o s PHE 1130Cb -0.22 -4.48 0.00 0.00 -0.34 0.00 0.00 43.02 37.99 3m4o s PHE 1130CO 0.25 -1.83 1.19 0.20 -1.46 0.00 0.00 175.22 173.57 3m4o s GLY 1131N 5.89 2.47 0.23 13.12 0.00 -1.26 -4.71 107.32 123.05 3m4o s GLY 1131Ca 0.55 0.88 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 3m4o s GLY 1131CO -0.04 1.27 1.30 1.18 0.00 0.00 0.00 173.10 176.81 3m4o n GLU 1132N -2.24 -0.10 0.26 2.90 1.02 -1.26 -0.75 120.64 120.47 3m4o n GLU 1132Ca 0.13 1.30 0.14 0.00 -0.02 0.00 0.00 57.16 58.71 3m4o n GLU 1132Cb 0.50 -1.94 0.68 0.00 -0.02 0.00 0.00 31.44 30.66 3m4o n GLU 1132CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3m4o h MET 1133N 0.00 0.00 0.00 3.49 4.05 -2.00 -2.08 114.93 118.40 3m4o h MET 1133Ca 0.38 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 3m4o h MET 1133Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 3m4o h MET 1133CO -0.85 0.11 -1.16 0.39 0.23 0.00 0.00 176.91 175.63 3m4o n GLU 1134N -3.37 0.43 0.06 0.39 4.71 0.07 -3.47 120.64 119.47 3m4o n GLU 1134Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.06 3m4o n GLU 1134Cb 0.30 -1.65 0.05 0.00 -1.01 0.00 0.00 31.44 29.14 3m4o n GLU 1134CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3m4o h ARG 1135N 0.00 0.34 -0.44 3.49 2.43 -0.42 -2.81 114.38 116.97 3m4o h ARG 1135Ca 0.00 -0.27 0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3m4o h ARG 1135Cb 0.84 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.35 3m4o h ARG 1135CO 0.00 0.91 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.73 3m4o h ASP 1136N 0.23 -0.68 -0.80 -3.80 3.32 -1.47 -2.10 116.42 111.12 3m4o h ASP 1136Ca -0.02 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3m4o h ASP 1136Cb 1.26 0.37 -0.04 0.00 0.22 0.00 0.00 39.33 41.15 3m4o h ASP 1136CO 0.12 -0.23 0.46 0.00 -1.72 0.00 0.00 179.24 177.87 3m4o h MET 1138N 1.10 0.00 -0.26 0.00 2.86 -1.37 -2.66 114.93 114.61 3m4o h MET 1138Ca 0.28 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.90 3m4o h MET 1138Cb -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3m4o h MET 1138CO -0.05 0.48 0.06 0.82 1.06 0.00 0.00 176.91 179.28 3m4o h ILE 1139N 0.00 1.22 -0.01 -1.22 2.04 -0.63 -2.37 117.51 116.54 3m4o h ILE 1139Ca -0.00 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3m4o h ILE 1139Cb 0.85 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3m4o h ILE 1139CO 0.06 0.23 -0.33 0.00 0.00 0.00 0.00 178.15 178.11 3m4o h ALA 1140N 0.88 -0.77 -0.78 1.87 0.00 -0.77 -2.34 119.26 117.35 3m4o h ALA 1140Ca 0.08 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.17 3m4o h ALA 1140Cb 0.29 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3m4o h ALA 1140CO 0.00 -0.87 0.64 0.45 0.00 0.00 0.00 179.25 179.47 3m4o h HIS 1141N -0.41 0.00 0.00 0.00 3.86 -1.60 -3.45 115.15 113.55 3m4o h HIS 1141Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3m4o h HIS 1141Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 3m4o h HIS 1141CO -0.47 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.73 3m4o n GLY 1142N -1.65 0.49 3.56 2.45 0.00 -0.88 -5.02 105.19 104.14 3m4o n GLY 1142Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3m4o n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4o s ALA 1143N -2.00 1.06 -0.03 4.61 0.00 -0.90 -4.78 121.76 119.73 3m4o s ALA 1143Ca 0.00 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 3m4o s ALA 1143Cb 0.00 -4.55 -0.29 0.00 0.00 0.00 0.00 23.12 18.28 3m4o s ALA 1143CO 0.00 -5.46 0.74 0.00 0.00 0.00 0.00 175.76 171.04 3m4o h ALA 1144N 12.83 0.21 0.05 0.00 0.00 -1.95 -3.05 119.26 127.35 3m4o h ALA 1144Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 54.91 53.55 3m4o h ALA 1144Cb 1.02 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3m4o h ALA 1144CO 1.08 1.08 -1.04 0.77 0.00 0.00 0.00 179.25 181.14 3m4o h SER 1145N 0.09 0.31 -0.05 0.00 0.02 -1.99 -2.60 113.55 109.34 3m4o h SER 1145Ca -0.30 -0.30 -0.19 0.00 -0.84 0.00 0.00 61.79 60.16 3m4o h SER 1145Cb 2.07 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.51 3m4o h SER 1145CO 0.17 1.17 -0.63 0.15 -1.14 0.00 0.00 176.83 176.54 3m4o h PHE 1146N 0.09 0.86 -0.71 3.45 3.57 -1.97 -0.72 116.94 121.51 3m4o h PHE 1146Ca -0.08 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 3m4o h PHE 1146Cb 1.73 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 3m4o h PHE 1146CO 0.04 1.12 0.40 1.25 -2.23 0.00 0.00 178.31 178.89 3m4o h LEU 1147N 0.49 0.87 -0.35 0.59 6.46 -1.53 0.79 115.31 122.64 3m4o h LEU 1147Ca -0.01 -0.08 -0.17 0.00 -0.12 0.00 0.00 57.88 57.50 3m4o h LEU 1147Cb 1.22 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3m4o h LEU 1147CO 0.12 0.70 -0.43 0.50 -0.62 0.00 0.00 178.44 178.72 3m4o h LYS 1148N 0.97 0.90 -0.36 1.25 3.64 -1.45 -3.21 116.57 118.31 3m4o h LYS 1148Ca 0.25 -0.51 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 3m4o h LYS 1148Cb 0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3m4o h LYS 1148CO -0.04 1.15 -0.17 1.49 -2.27 0.00 0.00 179.45 179.61 3m4o h GLU 1149N 0.71 0.76 -0.04 1.90 4.81 -0.72 0.20 114.58 122.19 3m4o h GLU 1149Ca 0.04 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3m4o h GLU 1149Cb 1.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3m4o h GLU 1149CO 0.10 0.95 0.00 0.54 -0.73 0.00 0.00 179.01 179.87 3m4o n ARG 1150N -4.30 0.53 0.00 1.92 5.12 0.24 -2.46 116.66 117.71 3m4o n ARG 1150Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 3m4o n ARG 1150Cb 0.41 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3m4o n ARG 1150CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3m4o n LEU 1151N -0.44 0.01 0.04 0.55 7.94 -0.45 -4.75 117.00 119.91 3m4o n LEU 1151Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3m4o n LEU 1151Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3m4o n LEU 1151CO 0.00 0.00 -0.14 0.23 -1.11 0.00 0.00 177.39 176.38 3m4o n MET 1152N -0.00 0.00 -0.00 1.96 2.81 0.56 -4.61 117.12 117.84 3m4o n MET 1152Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 3m4o n MET 1152Cb 0.28 -0.21 -0.14 0.00 -0.71 0.00 0.00 33.22 32.43 3m4o n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3m4o h GLU 1153N 0.00 0.13 0.00 0.03 3.07 -1.71 -1.83 114.58 114.27 3m4o h GLU 1153Ca 0.00 -0.22 -0.35 0.00 -0.50 0.00 0.00 59.36 58.29 3m4o h GLU 1153Cb 0.27 0.08 0.17 0.00 -0.84 0.00 0.00 28.75 28.43 3m4o h GLU 1153CO 0.00 0.84 0.18 0.00 -1.40 0.00 0.00 179.01 178.62 3m4o n ALA 1154N -2.74 -2.52 -0.11 3.43 0.00 -1.11 -4.85 120.51 112.61 3m4o n ALA 1154Ca -0.23 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.76 3m4o n ALA 1154Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.41 3m4o n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m4o n SER 1155N -4.38 0.00 -4.40 0.00 2.88 -1.26 -4.48 113.62 101.98 3m4o n SER 1155Ca 0.14 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.35 3m4o n SER 1155Cb 0.51 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.83 3m4o n SER 1155CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3m4o s ASP 1156N -4.00 3.86 0.48 -3.46 3.84 -1.26 -4.81 116.67 111.33 3m4o s ASP 1156Ca 0.00 -0.30 0.06 0.00 -0.00 0.00 0.00 52.55 52.31 3m4o s ASP 1156Cb 0.00 -1.17 0.00 0.00 -1.38 0.00 0.00 42.92 40.38 3m4o s ASP 1156CO 0.00 0.25 0.34 0.00 -0.00 0.00 0.00 175.17 175.76 3m4o s ALA 1157N -0.19 4.16 -0.22 2.11 0.00 -0.69 -4.21 121.76 122.71 3m4o s ALA 1157Ca -0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 3m4o s ALA 1157Cb -0.13 -0.70 0.13 0.00 0.00 0.00 0.00 23.12 22.41 3m4o s ALA 1157CO 0.03 -0.32 1.02 0.12 0.00 0.00 0.00 175.76 176.61 3m4o s PHE 1158N -2.67 -0.42 -0.54 0.00 5.36 0.14 -3.69 117.98 116.17 3m4o s PHE 1158Ca 0.38 0.89 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 3m4o s PHE 1158Cb -0.01 0.41 0.14 0.00 -0.34 0.00 0.00 43.02 43.21 3m4o s PHE 1158CO 0.23 -0.28 0.32 0.50 -1.46 0.00 0.00 175.22 174.53 3m4o s ARG 1159N -0.39 2.20 0.57 10.12 3.00 -1.26 -1.64 118.95 131.55 3m4o s ARG 1159Ca 0.01 -2.45 0.01 0.00 -1.00 0.00 0.00 55.73 52.30 3m4o s ARG 1159Cb -0.03 -3.52 0.05 0.00 0.00 0.00 0.00 34.95 31.45 3m4o s ARG 1159CO -0.03 -1.12 0.80 0.08 0.00 0.00 0.00 175.30 175.03 3m4o s VAL 1160N 0.03 2.60 -0.03 7.11 1.01 -1.18 -4.93 120.40 125.01 3m4o s VAL 1160Ca 0.16 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3m4o s VAL 1160Cb -0.23 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3m4o s VAL 1160CO -0.03 0.00 -0.25 -1.00 0.00 0.00 0.00 175.10 173.82 3m4o s HIS 1161N -2.80 2.37 0.08 5.22 3.76 -1.26 -2.65 115.29 120.01 3m4o s HIS 1161Ca 0.58 -0.47 0.10 0.00 -0.15 0.00 0.00 55.06 55.12 3m4o s HIS 1161Cb -0.10 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 3m4o s HIS 1161CO 0.39 -0.06 -0.26 0.42 -0.85 0.00 0.00 174.74 174.38 3m4o s ILE 1162N -0.54 2.17 -0.38 0.60 -1.09 -0.81 -4.11 121.20 117.04 3m4o s ILE 1162Ca 0.08 -1.55 -0.16 0.00 -2.23 0.00 0.00 60.65 56.79 3m4o s ILE 1162Cb -0.11 -1.89 0.01 0.00 -1.58 0.00 0.00 42.46 38.89 3m4o s ILE 1162CO -0.00 0.23 0.38 0.00 -1.23 0.00 0.00 174.94 174.32 3m4o h GLY 1164N 8.84 0.20 0.00 0.00 0.00 0.18 -2.35 103.07 109.94 3m4o h GLY 1164Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3m4o h GLY 1164CO 0.74 -0.07 0.00 1.39 0.00 0.00 0.00 176.54 178.60 3m4o n ILE 1165N -4.08 0.00 -0.09 2.60 2.08 -1.26 -4.71 119.36 113.90 3m4o n ILE 1165Ca 0.42 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.70 3m4o n ILE 1165Cb 1.87 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 40.74 3m4o n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m4o n GLY 1167N -1.05 0.80 2.70 0.00 0.00 -0.88 -4.78 105.19 101.97 3m4o n GLY 1167Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3m4o n GLY 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m4o n LEU 1168N 0.00 0.00 -1.54 0.99 4.77 -1.26 -0.80 117.00 119.15 3m4o n LEU 1168Ca 0.00 -2.55 -0.03 0.00 -0.03 0.00 0.00 56.01 53.41 3m4o n LEU 1168Cb 0.00 0.98 0.21 0.00 -2.33 0.00 0.00 43.42 42.28 3m4o n LEU 1168CO 0.00 -0.40 0.78 0.23 -1.33 0.00 0.00 177.39 176.67 3m4o n MET 1169N -0.69 2.93 0.00 3.23 2.81 -1.26 -2.31 117.12 121.84 3m4o n MET 1169Ca -0.02 -2.01 0.12 0.00 -1.81 0.00 0.00 57.70 53.98 3m4o n MET 1169Cb 0.50 -1.92 0.60 0.00 -0.71 0.00 0.00 33.22 31.69 3m4o n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3m4o n THR 1170N 0.07 0.22 -1.69 2.03 -1.04 -1.26 -4.79 114.28 107.82 3m4o n THR 1170Ca 0.25 0.06 -0.44 0.00 -2.04 0.00 0.00 64.05 61.88 3m4o n THR 1170Cb 1.01 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 3m4o n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3m4o n VAL 1171N -1.36 0.35 -2.93 12.58 0.31 -1.26 -4.78 118.33 121.24 3m4o n VAL 1171Ca 0.10 -0.09 -0.44 0.00 -0.01 0.00 0.00 64.34 63.90 3m4o n VAL 1171Cb 0.23 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 3m4o n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m4o s ILE 1172N 0.63 4.69 -0.65 2.52 1.01 -1.15 -4.94 121.20 123.30 3m4o s ILE 1172Ca 0.74 -1.41 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 3m4o s ILE 1172Cb -0.61 -4.76 -0.08 0.00 0.01 0.00 0.00 42.46 37.02 3m4o s ILE 1172CO 0.41 -1.49 2.27 0.00 0.00 0.00 0.00 174.94 176.14 3m4o s ALA 1173N 2.84 1.41 -0.53 9.38 0.00 -1.26 -4.40 121.76 129.20 3m4o s ALA 1173Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 3m4o s ALA 1173Cb -0.07 -4.44 0.37 0.00 0.00 0.00 0.00 23.12 18.98 3m4o s ALA 1173CO -0.07 -4.90 2.02 1.63 0.00 0.00 0.00 175.76 174.45 3m4o n LYS 1174N 8.96 2.34 -0.92 0.00 5.02 -0.98 -5.02 118.16 127.55 3m4o n LYS 1174Ca 0.38 -2.62 -0.30 0.00 -2.02 0.00 0.00 58.31 53.75 3m4o n LYS 1174Cb 0.50 -2.03 -0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3m4o n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m4o n LEU 1175N -0.45 -1.90 0.00 -0.35 4.77 -1.26 -2.59 117.00 115.22 3m4o n LEU 1175Ca 0.50 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 3m4o n LEU 1175Cb 0.66 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3m4o n LEU 1175CO 0.63 -2.86 0.00 -3.20 -1.33 0.00 0.00 177.39 170.63 3m4o n ASN 1176N 1.62 0.00 -1.19 -1.43 5.15 -1.26 -4.69 115.26 113.45 3m4o n ASN 1176Ca 0.08 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.18 3m4o n ASN 1176Cb 0.27 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.80 3m4o n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3m4o n HIS 1177N 0.00 0.76 -0.22 1.20 8.25 -1.07 -4.96 115.22 119.19 3m4o n HIS 1177Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 3m4o n HIS 1177Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3m4o n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m4o n ASN 1178N 1.44 0.00 -4.72 0.41 3.02 -1.26 -4.92 115.26 109.23 3m4o n ASN 1178Ca 0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.35 3m4o n ASN 1178Cb 0.57 -1.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.09 3m4o n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3m4o s GLN 1179N -0.44 4.25 0.08 3.52 -0.21 -1.26 -4.93 119.66 120.68 3m4o s GLN 1179Ca 0.00 2.29 0.00 0.00 0.02 0.00 0.00 55.36 57.67 3m4o s GLN 1179Cb 0.00 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.85 3m4o s GLN 1179CO 0.00 -0.53 0.00 1.19 -2.12 0.00 0.00 175.29 173.83 3m4o n PHE 1180N 3.54 -0.10 -1.38 0.91 0.99 -1.26 -2.32 117.46 117.84 3m4o n PHE 1180Ca 0.12 0.02 0.08 0.00 -0.00 0.00 0.00 57.45 57.66 3m4o n PHE 1180Cb 0.40 0.03 -0.04 0.00 -1.00 0.00 0.00 39.48 38.86 3m4o n PHE 1180CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3m4o n GLU 1181N -3.25 -3.03 -3.46 -1.08 1.02 -1.26 -3.05 120.64 106.52 3m4o n GLU 1181Ca 0.00 2.42 -0.23 0.00 -0.02 0.00 0.00 57.16 59.33 3m4o n GLU 1181Cb 0.00 -3.34 -0.12 0.00 -0.02 0.00 0.00 31.44 27.96 3m4o n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m4o s LYS 1183N 2.22 4.11 0.00 0.00 -2.85 -1.26 -1.84 119.74 120.11 3m4o s LYS 1183Ca 0.09 2.29 0.00 0.00 -1.00 0.00 0.00 55.97 57.35 3m4o s LYS 1183Cb -0.15 -2.90 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 3m4o s LYS 1183CO -0.34 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 175.09 3m4o n GLY 1184N 0.66 2.73 0.08 0.59 0.00 -1.26 -4.58 105.19 103.41 3m4o n GLY 1184Ca 0.02 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.49 3m4o n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4o n ASP 1186N -1.99 -4.64 -4.78 0.00 8.00 -0.77 -4.97 116.55 107.40 3m4o n ASP 1186Ca 0.03 0.11 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 3m4o n ASP 1186Cb 0.24 -3.90 -0.06 0.00 -0.02 0.00 0.00 41.12 37.38 3m4o n ASP 1186CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3m4o s ASN 1187N -2.04 6.72 0.00 -2.24 3.04 -1.09 -4.93 114.94 114.40 3m4o s ASN 1187Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 52.86 53.76 3m4o s ASN 1187Cb -0.00 -2.26 0.00 0.00 -1.54 0.00 0.00 41.25 37.45 3m4o s ASN 1187CO 0.00 0.18 0.00 0.29 -3.04 0.00 0.00 177.10 174.54 3m4o n LYS 1188N 2.68 2.57 -0.05 0.43 5.02 -1.26 -0.17 118.16 127.38 3m4o n LYS 1188Ca -0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 3m4o n LYS 1188Cb 0.52 -0.24 -0.04 0.00 -0.02 0.00 0.00 35.03 35.26 3m4o n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3m4o n ILE 1189N -0.08 0.54 -2.01 -0.18 -0.00 -1.26 -4.53 119.36 111.84 3m4o n ILE 1189Ca 0.00 -0.15 -0.26 0.00 -0.00 0.00 0.00 62.75 62.35 3m4o n ILE 1189Cb 0.00 -1.54 -0.06 0.00 -0.00 0.00 0.00 39.64 38.05 3m4o n ILE 1189CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3m4o s ASP 1190N -5.77 4.96 -0.13 4.38 -0.00 -1.26 -4.88 116.67 113.97 3m4o s ASP 1190Ca -0.14 -0.94 -0.06 0.00 -0.00 0.00 0.00 52.55 51.41 3m4o s ASP 1190Cb 0.05 -2.57 0.06 0.00 -0.00 0.00 0.00 42.92 40.46 3m4o s ASP 1190CO 0.18 -3.00 0.31 -0.51 -0.00 0.00 0.00 175.17 172.15 3m4o s ILE 1191N 10.93 -0.15 -0.03 0.77 2.07 -1.26 0.93 121.20 134.46 3m4o s ILE 1191Ca 0.71 0.16 0.03 0.00 -1.41 0.00 0.00 60.65 60.15 3m4o s ILE 1191Cb -0.05 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.06 3m4o s ILE 1191CO 0.05 0.06 -0.13 -0.31 -1.91 0.00 0.00 174.94 172.70 3m4o s TYR 1192N 1.61 1.32 0.12 3.50 1.51 -1.09 -4.97 117.35 119.35 3m4o s TYR 1192Ca -0.07 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 3m4o s TYR 1192Cb -0.10 -0.91 -0.06 0.00 -0.11 0.00 0.00 41.96 40.78 3m4o s TYR 1192CO -0.10 -0.13 0.96 -1.14 -1.11 0.00 0.00 175.55 174.03 3m4o s GLN 1193N 0.13 4.70 0.18 -0.62 0.74 -1.26 -1.92 119.66 121.61 3m4o s GLN 1193Ca -0.04 1.46 0.02 0.00 0.05 0.00 0.00 55.36 56.86 3m4o s GLN 1193Cb -0.10 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.59 3m4o s GLN 1193CO 0.01 0.22 -0.01 0.96 -0.55 0.00 0.00 175.29 175.92 3m4o s ILE 1194N -0.03 0.80 -0.21 -2.34 -0.00 -1.09 -5.00 121.20 113.34 3m4o s ILE 1194Ca 0.47 -2.00 -0.00 0.00 -0.00 0.00 0.00 60.65 59.12 3m4o s ILE 1194Cb -0.23 -2.14 0.02 0.00 -0.00 0.00 0.00 42.46 40.11 3m4o s ILE 1194CO 0.30 -0.47 -0.14 -1.00 -0.00 0.00 0.00 174.94 173.63 3m4o s HIS 1195N -3.57 2.91 0.16 1.37 3.76 -1.26 -3.09 115.29 115.58 3m4o s HIS 1195Ca 0.24 -1.58 -0.01 0.00 -0.15 0.00 0.00 55.06 53.57 3m4o s HIS 1195Cb 0.06 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 3m4o s HIS 1195CO 0.05 -0.76 0.08 0.96 -0.85 0.00 0.00 174.74 174.22 3m4o s ILE 1196N 1.31 0.09 0.74 0.60 -0.00 -0.65 -4.97 121.20 118.32 3m4o s ILE 1196Ca 0.03 -1.95 -0.15 0.00 -0.00 0.00 0.00 60.65 58.57 3m4o s ILE 1196Cb -0.15 -2.24 0.02 0.00 -0.00 0.00 0.00 42.46 40.10 3m4o s ILE 1196CO -0.09 -0.27 1.02 -2.65 -0.00 0.00 0.00 174.94 172.95 3m4o n PRO 1197N -0.17 0.45 -0.02 0.37 -0.02 -1.26 0.29 135.00 134.64 3m4o n PRO 1197Ca -0.02 0.22 -0.03 0.00 -2.02 0.00 0.00 63.50 61.64 3m4o n PRO 1197Cb 0.65 -2.27 0.21 0.00 -0.02 0.00 0.00 33.50 32.06 3m4o n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3m4o h TYR 1198N -0.38 0.62 0.00 6.00 3.20 -1.73 -1.72 116.97 122.97 3m4o h TYR 1198Ca -0.47 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.29 3m4o h TYR 1198Cb 1.33 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 3m4o h TYR 1198CO 0.41 0.69 -0.00 0.00 -1.64 0.00 0.00 178.16 177.62 3m4o h ALA 1199N 1.32 1.02 -1.42 1.82 0.00 -1.92 -2.01 119.26 118.07 3m4o h ALA 1199Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m4o h ALA 1199Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3m4o h ALA 1199CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3m4o n ALA 1200N -2.09 -0.16 -0.22 0.00 0.00 -0.65 -1.55 120.51 115.84 3m4o n ALA 1200Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3m4o n ALA 1200Cb 0.11 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.67 3m4o n ALA 1200CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3m4o n LYS 1201N -1.29 -0.05 0.25 0.00 0.00 -1.20 0.25 118.16 116.12 3m4o n LYS 1201Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 58.31 59.10 3m4o n LYS 1201Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 35.03 33.47 3m4o n LYS 1201CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3m4o h LEU 1202N 0.00 -1.36 -0.82 3.14 7.12 -1.44 -0.19 115.31 121.76 3m4o h LEU 1202Ca 0.32 0.12 0.16 0.00 0.13 0.00 0.00 57.88 58.60 3m4o h LEU 1202Cb 0.55 0.46 -0.10 0.00 -0.53 0.00 0.00 40.66 41.04 3m4o h LEU 1202CO -0.63 -0.62 0.38 0.25 -0.13 0.00 0.00 178.44 177.69 3m4o h LEU 1203N -0.92 0.40 -1.27 2.25 5.85 0.86 -0.21 115.31 122.27 3m4o h LEU 1203Ca -0.05 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3m4o h LEU 1203Cb 0.82 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3m4o h LEU 1203CO -0.10 0.14 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.73 3m4o h PHE 1204N 0.52 0.32 -0.04 1.25 0.05 -0.64 -1.82 116.94 116.58 3m4o h PHE 1204Ca 0.46 -0.04 -0.25 0.00 3.82 0.00 0.00 57.97 61.96 3m4o h PHE 1204Cb 0.71 -0.09 0.02 0.00 2.00 0.00 0.00 35.95 38.59 3m4o h PHE 1204CO -0.13 0.45 -0.93 1.96 -0.18 0.00 0.00 178.31 179.48 3m4o h GLN 1205N 0.28 0.71 -1.01 1.51 4.20 0.65 -1.84 115.11 119.62 3m4o h GLN 1205Ca 0.05 -0.71 0.04 0.00 0.06 0.00 0.00 58.65 58.10 3m4o h GLN 1205Cb 0.45 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 3m4o h GLN 1205CO 0.03 1.29 0.66 0.93 -0.67 0.00 0.00 178.83 181.07 3m4o h GLU 1206N 0.40 1.22 -0.66 1.46 5.08 -1.13 -0.72 114.58 120.23 3m4o h GLU 1206Ca -0.10 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 3m4o h GLU 1206Cb 1.58 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3m4o h GLU 1206CO 0.19 0.81 0.11 -0.07 -1.00 0.00 0.00 179.01 179.04 3m4o h LEU 1207N 1.25 1.03 -0.51 1.33 3.38 -1.23 0.25 115.31 120.82 3m4o h LEU 1207Ca 0.41 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3m4o h LEU 1207Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3m4o h LEU 1207CO -0.14 1.01 0.05 0.24 0.09 0.00 0.00 178.44 179.70 3m4o h MET 1208N 1.01 0.87 0.00 1.13 2.86 -0.95 0.06 114.93 119.91 3m4o h MET 1208Ca 0.20 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3m4o h MET 1208Cb 0.42 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3m4o h MET 1208CO 0.01 0.88 -0.17 0.00 1.06 0.00 0.00 176.91 178.69 3m4o h ALA 1209N 0.96 1.21 -0.30 6.32 0.00 -0.80 0.92 119.26 127.56 3m4o h ALA 1209Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3m4o h ALA 1209Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3m4o h ALA 1209CO 0.02 0.21 0.03 -0.12 0.00 0.00 0.00 179.25 179.39 3m4o n MET 1210N -3.59 2.76 -3.65 0.00 0.00 0.05 -4.91 117.12 107.78 3m4o n MET 1210Ca -0.01 -1.52 -0.26 0.00 0.00 0.00 0.00 57.70 55.91 3m4o n MET 1210Cb 0.30 -1.84 0.06 0.00 0.00 0.00 0.00 33.22 31.74 3m4o n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3m4o n ASN 1211N 0.24 -5.91 -4.02 6.12 2.85 0.32 -5.01 115.26 109.84 3m4o n ASN 1211Ca 0.15 -0.59 -0.24 0.00 -0.11 0.00 0.00 54.58 53.80 3m4o n ASN 1211Cb 0.75 -4.67 -0.16 0.00 1.24 0.00 0.00 39.78 36.94 3m4o n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3m4o s ILE 1212N -3.30 1.07 -0.48 -1.44 1.01 -0.02 -5.00 121.20 113.04 3m4o s ILE 1212Ca 0.59 -0.46 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 3m4o s ILE 1212Cb -0.27 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.28 3m4o s ILE 1212CO 0.73 0.34 0.47 0.42 0.00 0.00 0.00 174.94 176.90 3m4o s THR 1213N 0.55 5.10 -0.75 2.92 -4.23 -1.26 -2.60 115.64 115.37 3m4o s THR 1213Ca -0.12 -0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 59.43 3m4o s THR 1213Cb -0.14 -4.17 0.12 0.00 1.34 0.00 0.00 72.50 69.66 3m4o s THR 1213CO 0.03 -0.63 0.90 -2.16 -0.54 0.00 0.00 174.62 172.22 3m4o s PRO 1214N 2.03 3.32 0.26 3.99 0.05 -1.26 -5.02 135.00 138.37 3m4o s PRO 1214Ca 0.09 -1.56 -0.25 0.00 0.05 0.00 0.00 61.00 59.33 3m4o s PRO 1214Cb -0.22 -4.50 -0.09 0.00 0.05 0.00 0.00 34.50 29.74 3m4o s PRO 1214CO 0.09 -1.63 0.87 1.03 0.05 0.00 0.00 177.00 177.41 3m4o s ARG 1215N 2.55 4.56 -0.23 4.56 0.52 -1.26 -4.83 118.95 124.82 3m4o s ARG 1215Ca 0.21 1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.62 3m4o s ARG 1215Cb -0.14 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.34 3m4o s ARG 1215CO -0.01 0.40 -0.04 -0.51 0.02 0.00 0.00 175.30 175.16 3m4o s LEU 1216N -1.73 3.02 -0.11 2.53 1.43 0.02 -5.02 118.68 118.82 3m4o s LEU 1216Ca 0.45 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3m4o s LEU 1216Cb -0.20 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3m4o s LEU 1216CO 0.25 -0.05 -0.06 -0.31 0.23 0.00 0.00 176.35 176.41 3m4o s TYR 1217N 1.46 2.96 0.04 0.29 1.51 -1.26 -4.69 117.35 117.65 3m4o s TYR 1217Ca 0.05 -0.16 -0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3m4o s TYR 1217Cb -0.15 -1.82 -0.31 0.00 -0.11 0.00 0.00 41.96 39.57 3m4o s TYR 1217CO -0.03 0.14 1.00 1.15 -1.11 0.00 0.00 175.55 176.71 3m4o h THR 1218N 4.70 1.32 -2.94 -0.71 2.02 -1.95 -3.47 112.91 111.87 3m4o h THR 1218Ca -0.40 -2.84 -0.63 0.00 0.77 0.00 0.00 66.41 63.31 3m4o h THR 1218Cb 1.18 2.94 -0.05 0.00 -1.74 0.00 0.00 68.15 70.48 3m4o h THR 1218CO 0.57 0.85 -0.51 1.51 0.37 0.00 0.00 175.52 178.30 3m4o s ASP 1219N -7.30 6.23 0.59 4.18 1.47 -1.26 -5.02 116.67 115.56 3m4o s ASP 1219Ca -0.08 0.24 0.29 0.00 1.18 0.00 0.00 52.55 54.19 3m4o s ASP 1219Cb 0.06 -1.89 1.73 0.00 -0.34 0.00 0.00 42.92 42.47 3m4o s ASP 1219CO 0.90 0.18 2.16 0.03 0.68 0.00 0.00 175.17 179.12 3m4o h ARG 1220N 3.22 0.00 0.00 2.11 2.47 -2.08 -3.42 114.38 116.68 3m4o h ARG 1220Ca -0.46 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 57.84 3m4o h ARG 1220Cb 1.16 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.56 3m4o h ARG 1220CO 0.73 0.00 0.11 0.43 0.56 0.00 0.00 179.97 181.80 3m4o n SER 1221N -3.80 1.20 0.00 7.04 7.64 -1.26 -5.13 113.62 119.31 3m4o n SER 1221Ca -0.00 -2.02 0.00 0.00 1.01 0.00 0.00 58.87 57.86 3m4o n SER 1221Cb 0.23 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3m4o n SER 1221CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3m4o n ARG 1222N -2.68 0.00 0.00 1.43 0.63 -1.26 -5.03 116.66 109.75 3m4o n ARG 1222Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3m4o n ARG 1222Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3m4o n ARG 1222CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3m4o n ASP 1223N 0.00 0.91 0.00 6.15 8.00 -1.26 -5.10 116.55 125.25 3m4o n ASP 1223Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3m4o n ASP 1223Cb 0.00 0.12 0.36 0.00 -0.02 0.00 0.00 41.12 41.58 3m4o n ASP 1223CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14