#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrb n LEU 2 N 0.00 3.26 -4.55 3.17 4.77 -1.26 -3.68 117.00 118.71 1jrb n LEU 2 Ca 0.00 -1.69 -0.48 0.00 -0.03 0.00 0.00 56.01 53.81 1jrb n LEU 2 Cb 0.00 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1jrb n LEU 2 CO 0.00 0.75 0.56 -0.46 -1.33 0.00 0.00 177.39 176.91 1jrb n ASN 3 N 1.17 0.85 -4.01 -1.43 6.94 -1.12 -3.80 115.26 113.85 1jrb n ASN 3 Ca 0.17 1.15 -0.16 0.00 -0.02 0.00 0.00 54.58 55.72 1jrb n ASN 3 Cb 0.52 -1.18 -0.14 0.00 -2.36 0.00 0.00 39.78 36.63 1jrb n ASN 3 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jrb s THR 4 N -0.55 0.56 -0.16 5.53 2.01 -0.70 -4.74 115.64 117.60 1jrb s THR 4 Ca 0.69 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1jrb s THR 4 Cb -0.84 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1jrb s THR 4 CO 0.55 0.01 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.56 1jrb s THR 5 N -0.48 3.77 -0.15 -0.82 2.01 -1.26 -0.64 115.64 118.06 1jrb s THR 5 Ca -0.00 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1jrb s THR 5 Cb -0.05 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1jrb s THR 5 CO 0.00 0.49 0.39 0.12 -0.69 0.00 0.00 174.62 174.93 1jrb s PHE 6 N 0.44 -0.45 -1.42 4.92 5.36 -0.10 -4.88 117.98 121.85 1jrb s PHE 6 Ca -0.04 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 56.93 1jrb s PHE 6 Cb -0.14 0.16 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1jrb s PHE 6 CO 0.03 -0.23 0.59 0.00 -1.46 0.00 0.00 175.22 174.16 1jrb n ALA 7 N 3.10 -1.05 -1.77 11.12 0.00 -1.26 -0.72 120.51 129.93 1jrb n ALA 7 Ca -0.15 0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1jrb n ALA 7 Cb 0.57 -3.47 -0.07 0.00 0.00 0.00 0.00 19.45 16.47 1jrb n ALA 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jrb n ASN 8 N -2.45 -5.61 -4.48 0.00 3.02 -1.26 -4.99 115.26 99.48 1jrb n ASN 8 Ca -0.05 0.41 -0.24 0.00 -0.03 0.00 0.00 54.58 54.67 1jrb n ASN 8 Cb 0.58 -4.89 -0.10 0.00 -0.61 0.00 0.00 39.78 34.75 1jrb n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jrb s ALA 9 N -2.83 2.71 -0.11 5.41 0.00 0.10 -5.13 121.76 121.90 1jrb s ALA 9 Ca 0.00 -1.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.00 1jrb s ALA 9 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1jrb s ALA 9 CO 0.00 0.12 -0.10 0.15 0.00 0.00 0.00 175.76 175.93 1jrb s LYS 10 N -3.60 3.15 0.08 0.00 1.02 -1.26 -0.92 119.74 118.21 1jrb s LYS 10 Ca 0.30 -0.62 0.08 0.00 0.02 0.00 0.00 55.97 55.75 1jrb s LYS 10 Cb 0.00 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1jrb s LYS 10 CO 0.14 0.40 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.71 1jrb s PHE 11 N -0.11 1.77 0.38 3.18 0.08 0.18 -4.17 117.98 119.30 1jrb s PHE 11 Ca -0.00 -0.40 0.18 0.00 0.12 0.00 0.00 56.93 56.82 1jrb s PHE 11 Cb -0.13 -1.00 0.99 0.00 -0.57 0.00 0.00 43.02 42.30 1jrb s PHE 11 CO 0.03 0.16 1.93 0.00 -0.10 0.00 0.00 175.22 177.24 1jrb h ALA 12 N 4.38 1.40 -2.81 5.36 0.00 -1.83 -1.85 119.26 123.92 1jrb h ALA 12 Ca -0.45 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1jrb h ALA 12 Cb 1.17 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1jrb h ALA 12 CO 0.41 0.32 0.29 0.54 0.00 0.00 0.00 179.25 180.81 1jrb s ASN 13 N -6.69 -0.42 0.00 0.00 2.20 -1.25 -2.81 114.94 105.97 1jrb s ASN 13 Ca -0.03 -0.18 0.29 0.00 -0.94 0.00 0.00 52.86 52.00 1jrb s ASN 13 Cb 0.14 0.58 1.32 0.00 -2.00 0.00 0.00 41.25 41.29 1jrb s ASN 13 CO 0.68 -0.99 1.91 -0.81 -2.94 0.00 0.00 177.10 174.95 1jrb n PRO 14 N -0.38 0.78 -2.99 3.55 -0.04 -1.26 -4.17 135.00 130.49 1jrb n PRO 14 Ca -0.11 -0.25 -0.36 0.00 -0.04 0.00 0.00 63.50 62.74 1jrb n PRO 14 Cb 0.63 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1jrb n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jrb s PHE 15 N -2.38 3.65 0.20 0.54 0.08 -1.26 -0.43 117.98 118.37 1jrb s PHE 15 Ca 0.32 1.52 -0.03 0.00 0.12 0.00 0.00 56.93 58.86 1jrb s PHE 15 Cb 0.20 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1jrb s PHE 15 CO 0.45 0.28 0.18 -1.64 -0.10 0.00 0.00 175.22 174.39 1jrb s MET 16 N -2.04 1.23 0.44 0.44 -1.94 -0.41 -0.05 119.30 116.97 1jrb s MET 16 Ca 0.46 -1.54 -0.11 0.00 -1.71 0.00 0.00 55.69 52.79 1jrb s MET 16 Cb -0.17 0.30 -0.06 0.00 2.01 0.00 0.00 34.83 36.91 1jrb s MET 16 CO 0.22 -0.42 0.81 0.54 -0.01 0.00 0.00 175.02 176.16 1jrb s ASN 17 N -3.12 6.49 0.35 3.03 2.20 -1.26 -1.18 114.94 121.44 1jrb s ASN 17 Ca 0.34 1.18 -0.22 0.00 -0.94 0.00 0.00 52.86 53.22 1jrb s ASN 17 Cb 0.06 -2.35 -0.10 0.00 -2.00 0.00 0.00 41.25 36.86 1jrb s ASN 17 CO 0.10 -0.47 0.89 0.00 -2.94 0.00 0.00 177.10 174.68 1jrb s ALA 18 N -2.49 3.19 0.36 3.54 0.00 0.14 -4.36 121.76 122.14 1jrb s ALA 18 Ca 0.52 0.37 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 1jrb s ALA 18 Cb -0.10 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 1jrb s ALA 18 CO 0.34 0.20 1.36 0.45 0.00 0.00 0.00 175.76 178.12 1jrb n SER 19 N 0.05 3.15 0.00 0.00 2.88 -1.26 -2.15 113.62 116.28 1jrb n SER 19 Ca 0.03 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1jrb n SER 19 Cb 0.52 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1jrb n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jrb n GLY 20 N 0.65 3.01 3.51 0.46 0.00 -1.26 -4.91 105.19 106.65 1jrb n GLY 20 Ca 0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1jrb n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jrb s VAL 21 N -2.74 4.64 -1.39 1.61 1.01 -0.91 -4.67 120.40 117.94 1jrb s VAL 21 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 1jrb s VAL 21 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1jrb s VAL 21 CO 0.00 0.34 1.07 1.57 0.00 0.00 0.00 175.10 178.08 1jrb n HIS 22 N 4.70 -2.58 -2.10 5.22 -0.00 -1.26 -4.65 115.22 114.55 1jrb n HIS 22 Ca -0.16 0.97 -0.04 0.00 -0.00 0.00 0.00 57.72 58.49 1jrb n HIS 22 Cb 0.52 -4.70 -0.05 0.00 -0.00 0.00 0.00 29.99 25.77 1jrb n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jrb n MET 24 N 0.10 0.69 -4.27 0.00 1.56 -1.26 -1.40 117.12 112.54 1jrb n MET 24 Ca -0.19 0.21 -0.24 0.00 -0.27 0.00 0.00 57.70 57.21 1jrb n MET 24 Cb 0.78 -1.67 -0.08 0.00 2.15 0.00 0.00 33.22 34.40 1jrb n MET 24 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1jrb s THR 25 N -2.55 2.80 0.27 1.12 -4.23 -1.26 -4.62 115.64 107.17 1jrb s THR 25 Ca -0.16 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1jrb s THR 25 Cb 0.07 -2.85 0.27 0.00 1.34 0.00 0.00 72.50 71.33 1jrb s THR 25 CO 0.77 -0.21 1.70 0.40 -0.54 0.00 0.00 174.62 176.74 1jrb h ILE 26 N 1.75 0.51 -0.70 2.99 2.04 -1.97 -1.05 117.51 121.07 1jrb h ILE 26 Ca -0.43 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1jrb h ILE 26 Cb 1.25 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1jrb h ILE 26 CO 0.65 0.07 0.46 -0.08 0.00 0.00 0.00 178.15 179.25 1jrb h GLU 27 N 0.38 0.89 0.32 2.37 4.81 -1.99 -0.49 114.58 120.87 1jrb h GLU 27 Ca 0.50 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1jrb h GLU 27 Cb 0.90 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1jrb h GLU 27 CO -0.51 0.59 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.62 1jrb h ASP 28 N 0.92 -0.81 -0.95 1.04 3.32 -1.60 -1.74 116.42 116.60 1jrb h ASP 28 Ca 0.26 0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.54 1jrb h ASP 28 Cb -0.07 0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1jrb h ASP 28 CO -0.07 -0.43 0.60 -0.07 -1.72 0.00 0.00 179.24 177.54 1jrb h LEU 29 N -0.65 0.72 -0.93 1.55 3.38 -0.98 -0.50 115.31 117.91 1jrb h LEU 29 Ca -0.02 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1jrb h LEU 29 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jrb h LEU 29 CO -0.05 0.34 -0.35 -0.33 0.09 0.00 0.00 178.44 178.14 1jrb h GLU 30 N 0.75 0.36 -0.41 1.13 4.39 -0.98 0.87 114.58 120.68 1jrb h GLU 30 Ca 0.49 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.95 1jrb h GLU 30 Cb 0.77 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1jrb h GLU 30 CO -0.26 0.66 -0.10 0.93 -1.16 0.00 0.00 179.01 179.08 1jrb h GLU 31 N 0.31 0.72 -0.31 2.33 5.08 -0.21 -0.87 114.58 121.63 1jrb h GLU 31 Ca 0.04 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 1jrb h GLU 31 Cb 0.76 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1jrb h GLU 31 CO 0.06 0.80 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.41 1jrb h LEU 32 N 0.65 0.88 -0.61 1.33 3.38 -0.46 -1.92 115.31 118.56 1jrb h LEU 32 Ca 0.11 -0.49 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1jrb h LEU 32 Cb 0.55 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1jrb h LEU 32 CO 0.03 1.19 0.20 0.50 0.09 0.00 0.00 178.44 180.45 1jrb h LYS 33 N 0.58 0.35 0.00 1.13 3.64 -0.74 -1.36 116.57 120.16 1jrb h LYS 33 Ca 0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1jrb h LYS 33 Cb 0.98 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1jrb h LYS 33 CO 0.09 0.23 -0.06 0.00 -2.27 0.00 0.00 179.45 177.44 1jrb h ALA 34 N 1.45 1.15 -3.64 5.00 0.00 -0.99 -3.46 119.26 118.77 1jrb h ALA 34 Ca 0.32 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1jrb h ALA 34 Cb 0.43 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.27 1jrb h ALA 34 CO -0.34 0.07 0.15 -1.13 0.00 0.00 0.00 179.25 178.00 1jrb n SER 35 N -3.37 0.18 -0.23 0.00 3.41 -0.51 -4.95 113.62 108.14 1jrb n SER 35 Ca -0.02 -1.28 0.04 0.00 -0.26 0.00 0.00 58.87 57.36 1jrb n SER 35 Cb 0.21 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 63.95 1jrb n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrb n GLN 36 N -2.11 1.29 -1.65 4.33 1.13 -1.26 -4.92 117.38 114.19 1jrb n GLN 36 Ca 0.07 -0.45 -0.41 0.00 -1.94 0.00 0.00 57.00 54.28 1jrb n GLN 36 Cb 0.25 -1.17 0.02 0.00 0.11 0.00 0.00 30.24 29.45 1jrb n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jrb n ALA 37 N -0.20 0.68 0.10 -1.58 0.00 -1.26 -4.88 120.51 113.37 1jrb n ALA 37 Ca 0.08 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 1jrb n ALA 37 Cb 0.13 -2.17 0.12 0.00 0.00 0.00 0.00 19.45 17.53 1jrb n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jrb h GLY 38 N 1.64 0.18 -1.57 0.00 0.00 -0.62 -3.47 103.07 99.23 1jrb h GLY 38 Ca -0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1jrb h GLY 38 CO 0.57 0.20 0.20 0.00 0.00 0.00 0.00 176.54 177.52 1jrb s ALA 39 N -3.65 -0.80 0.12 3.60 0.00 -1.05 -4.56 121.76 115.42 1jrb s ALA 39 Ca -0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1jrb s ALA 39 Cb 0.12 0.80 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1jrb s ALA 39 CO 0.79 -0.99 0.35 1.52 0.00 0.00 0.00 175.76 177.43 1jrb s TYR 40 N -3.09 -0.08 0.03 0.00 -0.85 -1.26 -4.12 117.35 107.99 1jrb s TYR 40 Ca 0.15 -0.27 0.03 0.00 -0.52 0.00 0.00 57.07 56.46 1jrb s TYR 40 Cb -0.05 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.44 1jrb s TYR 40 CO 0.10 -0.68 -0.10 -1.50 -1.52 0.00 0.00 175.55 171.85 1jrb s ILE 41 N -3.83 0.80 0.70 -3.49 2.07 -1.26 -2.00 121.20 114.18 1jrb s ILE 41 Ca 0.05 -0.90 -0.11 0.00 -1.41 0.00 0.00 60.65 58.27 1jrb s ILE 41 Cb 0.03 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.87 1jrb s ILE 41 CO -0.11 -0.11 1.07 0.42 -1.91 0.00 0.00 174.94 174.30 1jrb s THR 42 N -0.91 3.84 0.27 4.00 -4.23 -0.69 -4.74 115.64 113.18 1jrb s THR 42 Ca -0.02 0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 60.83 1jrb s THR 42 Cb -0.08 -3.29 -0.14 0.00 1.34 0.00 0.00 72.50 70.33 1jrb s THR 42 CO 0.01 -0.74 1.13 1.17 -0.54 0.00 0.00 174.62 175.64 1jrb n LYS 43 N -3.06 1.53 -1.63 3.99 3.00 -0.49 -4.05 118.16 117.45 1jrb n LYS 43 Ca 0.08 0.54 -0.48 0.00 -0.00 0.00 0.00 58.31 58.45 1jrb n LYS 43 Cb 0.53 -2.00 -0.05 0.00 0.00 0.00 0.00 35.03 33.51 1jrb n LYS 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1jrb n SER 44 N 1.40 2.42 -4.64 3.14 7.64 -1.26 -4.59 113.62 117.74 1jrb n SER 44 Ca 0.10 1.10 -0.24 0.00 1.01 0.00 0.00 58.87 60.85 1jrb n SER 44 Cb 0.31 -1.32 -0.08 0.00 -1.01 0.00 0.00 64.21 62.11 1jrb n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jrb s SER 45 N 0.67 4.37 0.35 6.43 1.04 -0.88 -4.75 113.70 120.93 1jrb s SER 45 Ca 0.80 -0.80 0.08 0.00 0.48 0.00 0.00 55.95 56.51 1jrb s SER 45 Cb -0.80 -0.68 -0.07 0.00 0.10 0.00 0.00 66.02 64.57 1jrb s SER 45 CO 0.43 -0.11 -0.04 0.42 0.98 0.00 0.00 173.24 174.92 1jrb s THR 46 N -2.41 1.94 0.17 2.02 -4.23 -1.26 -0.48 115.64 111.38 1jrb s THR 46 Ca 0.33 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.62 1jrb s THR 46 Cb -0.04 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.12 1jrb s THR 46 CO 0.20 -0.13 1.72 -0.07 -0.54 0.00 0.00 174.62 175.79 1jrb h LEU 47 N 2.00 0.78 -9.87 4.79 3.38 -1.92 0.14 115.31 114.61 1jrb h LEU 47 Ca -0.42 -0.17 -0.62 0.00 0.09 0.00 0.00 57.88 56.75 1jrb h LEU 47 Cb 1.24 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1jrb h LEU 47 CO 0.73 0.74 -0.46 -1.61 0.09 0.00 0.00 178.44 177.94 1jrb s GLU 48 N -5.53 3.48 0.47 1.13 0.41 -1.26 -3.61 118.70 113.80 1jrb s GLU 48 Ca -0.13 -0.31 -0.23 0.00 -0.41 0.00 0.00 54.97 53.89 1jrb s GLU 48 Cb 0.12 -3.03 -0.09 0.00 -1.78 0.00 0.00 34.13 29.36 1jrb s GLU 48 CO 0.79 0.61 1.09 1.17 -0.49 0.00 0.00 175.26 178.43 1jrb n LYS 49 N 0.54 1.43 -4.35 1.61 4.81 -1.26 -4.46 118.16 116.47 1jrb n LYS 49 Ca -0.07 0.52 -0.19 0.00 -0.87 0.00 0.00 58.31 57.70 1jrb n LYS 49 Cb 0.52 -2.20 -0.15 0.00 0.02 0.00 0.00 35.03 33.22 1jrb n LYS 49 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1jrb s ARG 50 N -2.29 0.76 0.21 1.64 0.52 -0.22 -4.92 118.95 114.64 1jrb s ARG 50 Ca 0.66 -0.30 0.17 0.00 -0.52 0.00 0.00 55.73 55.74 1jrb s ARG 50 Cb -0.50 -0.73 0.01 0.00 0.52 0.00 0.00 34.95 34.25 1jrb s ARG 50 CO 0.54 0.16 1.19 0.93 0.02 0.00 0.00 175.30 178.15 1jrb h GLU 51 N 6.06 0.00 0.00 3.54 5.08 -1.87 -1.59 114.58 125.79 1jrb h GLU 51 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1jrb h GLU 51 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jrb h GLU 51 CO 0.49 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 179.24 1jrb n GLY 52 N 1.27 -1.83 3.90 -3.84 0.00 -1.26 -4.62 105.19 98.81 1jrb n GLY 52 Ca -0.02 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 1jrb n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrb s ASN 53 N -4.00 5.93 0.66 1.61 0.01 -0.04 -4.95 114.94 114.16 1jrb s ASN 53 Ca 0.00 0.96 -0.17 0.00 -0.71 0.00 0.00 52.86 52.94 1jrb s ASN 53 Cb 0.00 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 1jrb s ASN 53 CO 0.00 -0.89 0.88 -2.65 -1.51 0.00 0.00 177.10 172.93 1jrb n PRO 54 N -2.55 0.65 -1.55 -0.60 -0.02 -1.26 -4.91 135.00 124.76 1jrb n PRO 54 Ca 0.04 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 1jrb n PRO 54 Cb 0.56 -2.11 0.16 0.00 -0.02 0.00 0.00 33.50 32.09 1jrb n PRO 54 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jrb s LEU 55 N -1.98 1.96 -0.44 2.45 1.43 -1.26 -3.97 118.68 116.86 1jrb s LEU 55 Ca 0.74 0.79 -0.42 0.00 -1.03 0.00 0.00 54.13 54.21 1jrb s LEU 55 Cb -0.38 -2.98 -0.18 0.00 0.03 0.00 0.00 46.19 42.68 1jrb s LEU 55 CO 0.50 -2.79 1.43 0.00 0.23 0.00 0.00 176.35 175.72 1jrb n ALA 56 N -3.90 -1.16 0.00 4.21 0.00 -1.26 -4.61 120.51 113.80 1jrb n ALA 56 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1jrb n ALA 56 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1jrb n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1jrb n ARG 57 N 3.65 4.03 -4.54 0.00 1.85 -1.26 0.16 116.66 120.56 1jrb n ARG 57 Ca 0.28 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.90 1jrb n ARG 57 Cb -0.05 -0.53 -0.16 0.00 -1.05 0.00 0.00 32.46 30.67 1jrb n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1jrb s TYR 58 N -0.98 1.27 -0.05 2.89 6.14 -1.26 0.07 117.35 125.42 1jrb s TYR 58 Ca 0.00 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.33 1jrb s TYR 58 Cb 0.00 -0.91 0.02 0.00 0.42 0.00 0.00 41.96 41.49 1jrb s TYR 58 CO 0.00 -0.18 -0.04 0.08 0.64 0.00 0.00 175.55 176.06 1jrb s VAL 59 N 0.36 0.52 0.17 3.14 1.01 -0.62 -5.01 120.40 119.97 1jrb s VAL 59 Ca -0.08 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 1jrb s VAL 59 Cb -0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 1jrb s VAL 59 CO 0.02 0.24 1.46 -1.81 0.00 0.00 0.00 175.10 175.01 1jrb s ASP 60 N 1.16 6.70 0.24 3.32 1.01 -1.26 -1.75 116.67 126.09 1jrb s ASP 60 Ca -0.07 2.52 0.11 0.00 0.71 0.00 0.00 52.55 55.82 1jrb s ASP 60 Cb -0.14 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 1jrb s ASP 60 CO -0.01 -0.72 -0.21 -0.76 0.21 0.00 0.00 175.17 173.68 1jrb s LEU 61 N 0.71 2.52 0.26 1.23 1.43 0.35 -4.96 118.68 120.21 1jrb s LEU 61 Ca 0.65 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1jrb s LEU 61 Cb -0.41 -1.08 0.50 0.00 0.03 0.00 0.00 46.19 45.23 1jrb s LEU 61 CO 0.34 0.05 1.76 -0.08 0.23 0.00 0.00 176.35 178.65 1jrb h GLU 62 N 2.68 0.58 -0.61 1.70 4.81 -2.02 -2.52 114.58 119.20 1jrb h GLU 62 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1jrb h GLU 62 Cb 1.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1jrb h GLU 62 CO 0.55 0.38 0.00 1.28 -0.73 0.00 0.00 179.01 180.49 1jrb n LEU 63 N -4.89 3.93 0.00 1.64 4.77 -1.26 -4.99 117.00 116.20 1jrb n LEU 63 Ca 0.16 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 1jrb n LEU 63 Cb 0.41 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1jrb n LEU 63 CO 0.21 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1jrb n GLY 64 N 1.17 -0.57 3.37 -0.72 0.00 -0.95 -1.30 105.19 106.18 1jrb n GLY 64 Ca 0.22 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1jrb n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrb s SER 65 N -4.00 -0.40 0.00 1.61 1.04 -0.75 -0.50 113.70 110.70 1jrb s SER 65 Ca 0.00 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1jrb s SER 65 Cb 0.00 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1jrb s SER 65 CO 0.00 -0.91 -0.15 -0.51 0.98 0.00 0.00 173.24 172.65 1jrb s ILE 66 N -3.77 1.19 -0.07 -1.02 2.07 -0.71 -1.44 121.20 117.45 1jrb s ILE 66 Ca 0.02 -0.73 -0.11 0.00 -1.41 0.00 0.00 60.65 58.42 1jrb s ILE 66 Cb 0.00 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1jrb s ILE 66 CO -0.12 0.26 0.27 0.54 -1.91 0.00 0.00 174.94 173.98 1jrb s ASN 67 N -0.54 -0.22 -0.43 4.50 2.20 -0.23 -1.59 114.94 118.62 1jrb s ASN 67 Ca 0.05 0.33 0.08 0.00 -0.94 0.00 0.00 52.86 52.37 1jrb s ASN 67 Cb -0.06 0.45 0.25 0.00 -2.00 0.00 0.00 41.25 39.89 1jrb s ASN 67 CO -0.00 -0.24 0.55 -0.24 -2.94 0.00 0.00 177.10 174.24 1jrb n SER 68 N 2.24 0.76 -0.12 3.54 2.88 0.11 -0.63 113.62 122.41 1jrb n SER 68 Ca -0.17 -2.81 -0.01 0.00 -1.33 0.00 0.00 58.87 54.55 1jrb n SER 68 Cb 0.57 -0.64 0.24 0.00 -0.75 0.00 0.00 64.21 63.63 1jrb n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1jrb h MET 69 N 4.07 0.80 0.00 -1.46 2.86 -1.88 -3.42 114.93 115.90 1jrb h MET 69 Ca 0.10 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1jrb h MET 69 Cb 0.84 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1jrb h MET 69 CO 0.52 0.66 0.00 0.41 1.06 0.00 0.00 176.91 179.57 1jrb n GLY 70 N -1.04 0.46 3.59 8.32 0.00 -1.26 -0.86 105.19 114.40 1jrb n GLY 70 Ca 0.04 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1jrb n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jrb n LEU 71 N 0.00 -3.61 -4.71 0.99 4.77 -1.26 -4.37 117.00 108.81 1jrb n LEU 71 Ca 0.00 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 1jrb n LEU 71 Cb 0.02 -2.72 -0.03 0.00 -2.33 0.00 0.00 43.42 38.36 1jrb n LEU 71 CO 0.00 0.36 1.23 -2.16 -1.33 0.00 0.00 177.39 175.49 1jrb s PRO 72 N -5.62 4.23 0.20 3.23 0.04 -1.26 -4.63 135.00 131.19 1jrb s PRO 72 Ca 0.23 2.29 -0.23 0.00 0.04 0.00 0.00 61.00 63.34 1jrb s PRO 72 Cb -0.06 -3.33 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1jrb s PRO 72 CO 0.81 -0.62 0.74 0.54 0.04 0.00 0.00 177.00 178.50 1jrb s ASN 73 N 1.58 -0.35 0.00 6.66 2.20 -0.60 -4.96 114.94 119.47 1jrb s ASN 73 Ca 0.70 -0.35 0.22 0.00 -0.94 0.00 0.00 52.86 52.50 1jrb s ASN 73 Cb -0.41 0.62 0.96 0.00 -2.00 0.00 0.00 41.25 40.42 1jrb s ASN 73 CO 0.31 -1.11 1.66 0.18 -2.94 0.00 0.00 177.10 175.21 1jrb n LEU 74 N -0.42 1.14 0.00 3.54 4.77 -1.26 -1.06 117.00 123.71 1jrb n LEU 74 Ca -0.09 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1jrb n LEU 74 Cb 0.61 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1jrb n LEU 74 CO 0.14 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1jrb n GLY 75 N 1.05 2.14 0.10 -0.72 0.00 -1.26 -4.41 105.19 102.09 1jrb n GLY 75 Ca 0.17 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 1jrb n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jrb h PHE 76 N 0.00 -0.14 -0.91 1.61 3.57 -0.76 -2.48 116.94 117.83 1jrb h PHE 76 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1jrb h PHE 76 Cb 0.00 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 1jrb h PHE 76 CO 0.00 -0.09 0.58 -0.44 -2.23 0.00 0.00 178.31 176.14 1jrb h ASP 77 N -0.10 0.64 -0.41 0.41 3.32 -1.85 -1.00 116.42 117.43 1jrb h ASP 77 Ca 0.02 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1jrb h ASP 77 Cb 0.13 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1jrb h ASP 77 CO -0.06 0.30 0.18 0.22 -1.72 0.00 0.00 179.24 178.16 1jrb h TYR 78 N 0.67 0.61 -0.43 4.55 3.20 -1.67 -1.06 116.97 122.83 1jrb h TYR 78 Ca 0.47 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 62.15 1jrb h TYR 78 Cb 0.80 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1jrb h TYR 78 CO -0.00 0.53 -0.29 1.88 -1.64 0.00 0.00 178.16 178.63 1jrb h TYR 79 N 0.52 1.11 -0.14 -3.82 0.05 -1.34 -2.59 116.97 110.77 1jrb h TYR 79 Ca 0.14 -0.30 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1jrb h TYR 79 Cb 0.16 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1jrb h TYR 79 CO -0.00 1.12 0.03 1.25 -1.05 0.00 0.00 178.16 179.51 1jrb h LEU 80 N 0.80 0.21 -0.98 3.88 5.85 -1.13 -1.36 115.31 122.59 1jrb h LEU 80 Ca 0.09 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.68 1jrb h LEU 80 Cb 0.88 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 1jrb h LEU 80 CO 0.08 0.38 0.61 0.44 -0.34 0.00 0.00 178.44 179.61 1jrb h ASP 81 N 0.02 0.92 0.03 1.25 3.32 -1.23 -0.06 116.42 120.67 1jrb h ASP 81 Ca 0.04 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1jrb h ASP 81 Cb 0.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1jrb h ASP 81 CO 0.00 0.52 -0.01 0.22 -1.72 0.00 0.00 179.24 178.25 1jrb h TYR 82 N 1.01 -0.04 -0.37 4.55 3.20 -1.04 -2.09 116.97 122.20 1jrb h TYR 82 Ca 0.46 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.19 1jrb h TYR 82 Cb 0.38 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1jrb h TYR 82 CO -0.01 0.21 -0.33 -0.39 -1.64 0.00 0.00 178.16 176.00 1jrb h VAL 83 N -0.28 1.28 -0.56 1.81 -1.51 -0.61 -1.70 116.25 114.67 1jrb h VAL 83 Ca -0.00 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 1jrb h VAL 83 Cb 0.27 1.35 -0.03 0.00 -2.13 0.00 0.00 31.29 30.75 1jrb h VAL 83 CO 0.01 0.49 0.26 -0.07 -1.23 0.00 0.00 177.57 177.03 1jrb h LEU 84 N 0.69 0.72 -0.48 4.19 3.38 -1.01 -1.32 115.31 121.48 1jrb h LEU 84 Ca 0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1jrb h LEU 84 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1jrb h LEU 84 CO 0.08 0.62 -0.53 0.11 0.09 0.00 0.00 178.44 178.81 1jrb h LYS 85 N 0.79 0.00 -0.00 1.13 1.57 -1.13 -2.81 116.57 116.12 1jrb h LYS 85 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1jrb h LYS 85 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jrb h LYS 85 CO -0.02 0.53 -0.20 -1.71 -0.57 0.00 0.00 179.45 177.47 1jrb n ASN 86 N -3.42 0.60 -0.00 0.86 2.85 -0.66 -2.82 115.26 112.65 1jrb n ASN 86 Ca 0.00 -0.53 -0.17 0.00 -0.11 0.00 0.00 54.58 53.78 1jrb n ASN 86 Cb 0.65 -0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.53 1jrb n ASN 86 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1jrb n GLN 87 N -0.99 0.71 0.05 1.20 7.27 -0.57 -4.25 117.38 120.80 1jrb n GLN 87 Ca 0.12 0.27 0.03 0.00 0.07 0.00 0.00 57.00 57.49 1jrb n GLN 87 Cb 0.31 -1.74 0.41 0.00 2.41 0.00 0.00 30.24 31.63 1jrb n GLN 87 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1jrb h LYS 88 N 0.05 0.42 -4.44 3.69 1.57 -1.47 -3.31 116.57 113.07 1jrb h LYS 88 Ca -0.38 -0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 57.63 1jrb h LYS 88 Cb 2.03 -0.08 -0.27 0.00 0.08 0.00 0.00 32.23 33.99 1jrb h LYS 88 CO 0.09 0.38 -0.45 -1.21 -0.57 0.00 0.00 179.45 177.68 1jrb s GLU 89 N -5.16 2.67 -0.45 3.15 0.41 -1.13 -5.06 118.70 113.14 1jrb s GLU 89 Ca -0.07 -1.42 -0.29 0.00 -0.41 0.00 0.00 54.97 52.78 1jrb s GLU 89 Cb 0.16 -3.83 0.01 0.00 -1.78 0.00 0.00 34.13 28.70 1jrb s GLU 89 CO 0.73 -0.95 1.39 -0.80 -0.49 0.00 0.00 175.26 175.14 1jrb s ASN 90 N 2.16 6.31 -0.30 -0.19 0.02 -1.25 -4.83 114.94 116.86 1jrb s ASN 90 Ca 0.03 0.68 -0.19 0.00 -1.02 0.00 0.00 52.86 52.36 1jrb s ASN 90 Cb -0.23 -2.54 0.18 0.00 0.02 0.00 0.00 41.25 38.68 1jrb s ASN 90 CO 0.03 -1.48 1.27 0.00 0.02 0.00 0.00 177.10 176.94 1jrb s ALA 91 N 5.51 -3.70 0.00 0.60 0.00 -1.26 -5.05 121.76 117.85 1jrb s ALA 91 Ca 0.58 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1jrb s ALA 91 Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1jrb s ALA 91 CO 0.31 -1.30 0.03 0.94 0.00 0.00 0.00 175.76 175.74 1jrb n GLN 92 N 5.10 0.00 -1.48 0.00 7.27 -1.26 -4.97 117.38 122.05 1jrb n GLN 92 Ca -0.08 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1jrb n GLN 92 Cb 0.55 0.04 0.00 0.00 2.41 0.00 0.00 30.24 33.24 1jrb n GLN 92 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1jrb n GLU 93 N 0.00 0.00 0.00 3.69 0.28 -1.26 -4.74 120.64 118.61 1jrb n GLU 93 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jrb n GLU 93 Cb 0.04 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.91 1jrb n GLU 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jrb n GLY 94 N -0.29 1.66 3.77 -1.84 0.00 -1.26 -4.39 105.19 102.84 1jrb n GLY 94 Ca 0.00 0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 1jrb n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jrb s PRO 95 N -0.13 3.86 0.42 1.61 0.04 -1.26 -5.01 135.00 134.52 1jrb s PRO 95 Ca 0.00 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.08 1jrb s PRO 95 Cb 0.00 -2.72 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1jrb s PRO 95 CO 0.00 -0.62 0.95 0.42 0.04 0.00 0.00 177.00 177.79 1jrb s ILE 96 N -1.24 4.35 -0.06 0.56 1.01 -1.26 -4.69 121.20 119.87 1jrb s ILE 96 Ca 0.58 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.71 1jrb s ILE 96 Cb -0.40 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1jrb s ILE 96 CO 0.52 -0.26 0.16 -0.36 0.00 0.00 0.00 174.94 175.00 1jrb s PHE 97 N -2.10 3.56 -0.22 3.97 0.40 -0.85 -1.63 117.98 121.10 1jrb s PHE 97 Ca 0.61 0.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.36 1jrb s PHE 97 Cb -0.10 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.61 1jrb s PHE 97 CO 0.15 0.68 -0.06 0.12 0.70 0.00 0.00 175.22 176.80 1jrb s PHE 98 N -1.19 2.29 -0.02 0.36 2.19 0.54 -1.70 117.98 120.45 1jrb s PHE 98 Ca 0.22 -1.62 -0.13 0.00 0.33 0.00 0.00 56.93 55.72 1jrb s PHE 98 Cb -0.12 -1.55 -0.05 0.00 -1.31 0.00 0.00 43.02 39.99 1jrb s PHE 98 CO 0.12 -0.75 0.36 0.45 1.83 0.00 0.00 175.22 177.24 1jrb s SER 99 N 1.43 6.73 0.02 6.13 0.15 -1.26 -0.68 113.70 126.22 1jrb s SER 99 Ca -0.04 0.87 0.06 0.00 0.70 0.00 0.00 55.95 57.55 1jrb s SER 99 Cb -0.18 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1jrb s SER 99 CO -0.07 0.34 -0.19 0.27 1.20 0.00 0.00 173.24 174.78 1jrb s ILE 100 N -1.08 1.55 -0.44 6.45 -4.36 -0.25 -2.07 121.20 121.00 1jrb s ILE 100 Ca 0.23 -1.01 0.07 0.00 -0.26 0.00 0.00 60.65 59.67 1jrb s ILE 100 Cb -0.16 -1.32 0.23 0.00 1.25 0.00 0.00 42.46 42.46 1jrb s ILE 100 CO 0.12 0.29 0.63 0.00 0.24 0.00 0.00 174.94 176.22 1jrb n ALA 101 N 2.20 0.88 -1.71 2.27 0.00 0.37 -0.87 120.51 123.64 1jrb n ALA 101 Ca -0.16 -2.52 -0.37 0.00 0.00 0.00 0.00 53.44 50.39 1jrb n ALA 101 Cb 0.53 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 19.02 1jrb n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrb n GLY 102 N 1.80 0.50 0.06 0.00 0.00 -1.25 -4.56 105.19 101.73 1jrb n GLY 102 Ca 0.18 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1jrb n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jrb n MET 103 N -1.91 0.16 -4.18 1.61 2.81 -1.26 -4.81 117.12 109.55 1jrb n MET 103 Ca 0.16 0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 56.05 1jrb n MET 103 Cb 0.48 -1.68 -0.09 0.00 -0.71 0.00 0.00 33.22 31.22 1jrb n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jrb s SER 104 N -3.94 0.35 0.12 7.83 1.04 -1.26 -5.01 113.70 112.83 1jrb s SER 104 Ca 0.12 -1.38 -0.19 0.00 0.48 0.00 0.00 55.95 54.97 1jrb s SER 104 Cb 0.15 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.66 1jrb s SER 104 CO 0.58 -0.93 1.76 0.00 0.98 0.00 0.00 173.24 175.63 1jrb h ALA 105 N 2.49 0.23 -0.32 5.32 0.00 -2.00 -1.84 119.26 123.14 1jrb h ALA 105 Ca -0.33 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1jrb h ALA 105 Cb 1.25 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1jrb h ALA 105 CO 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.36 1jrb h ALA 106 N 1.11 0.26 -0.78 0.00 0.00 -1.98 -1.15 119.26 116.71 1jrb h ALA 106 Ca 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jrb h ALA 106 Cb 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1jrb h ALA 106 CO -0.07 -0.43 0.43 1.49 0.00 0.00 0.00 179.25 180.67 1jrb h GLU 107 N 0.05 1.09 -0.37 0.00 4.81 -1.86 0.09 114.58 118.38 1jrb h GLU 107 Ca 0.16 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1jrb h GLU 107 Cb 0.22 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1jrb h GLU 107 CO -0.29 0.80 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.79 1jrb h ASN 108 N 1.10 0.61 -0.28 1.04 2.35 -0.80 -0.54 115.58 119.06 1jrb h ASN 108 Ca 0.28 -0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.73 1jrb h ASN 108 Cb 0.03 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1jrb h ASN 108 CO -0.04 0.74 -0.37 0.40 -1.65 0.00 0.00 177.43 176.51 1jrb h ILE 109 N 0.59 1.30 -0.45 2.81 1.08 -0.80 0.55 117.51 122.58 1jrb h ILE 109 Ca 0.11 -1.55 0.01 0.00 -0.39 0.00 0.00 64.86 63.04 1jrb h ILE 109 Cb 0.50 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1jrb h ILE 109 CO 0.03 0.50 0.28 0.00 -0.69 0.00 0.00 178.15 178.27 1jrb h ALA 110 N 0.68 0.57 -0.39 1.87 0.00 -0.79 0.39 119.26 121.58 1jrb h ALA 110 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1jrb h ALA 110 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1jrb h ALA 110 CO 0.09 -0.02 -0.28 0.52 0.00 0.00 0.00 179.25 179.56 1jrb h MET 111 N 0.57 0.84 -0.49 0.00 2.86 -0.88 -2.36 114.93 115.47 1jrb h MET 111 Ca 0.17 -0.37 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1jrb h MET 111 Cb -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1jrb h MET 111 CO -0.06 1.01 0.09 -0.07 1.06 0.00 0.00 176.91 178.94 1jrb h LEU 112 N 0.71 0.77 -0.91 1.22 3.38 -0.26 -1.32 115.31 118.90 1jrb h LEU 112 Ca 0.09 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jrb h LEU 112 Cb 0.82 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 1jrb h LEU 112 CO 0.07 0.83 0.56 0.11 0.09 0.00 0.00 178.44 180.10 1jrb h LYS 113 N 0.68 0.95 -0.85 1.13 1.57 -0.13 -0.07 116.57 119.86 1jrb h LYS 113 Ca 0.15 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1jrb h LYS 113 Cb 0.38 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1jrb h LYS 113 CO 0.01 0.63 0.47 0.87 -0.57 0.00 0.00 179.45 180.86 1jrb h LYS 114 N 0.98 1.18 -0.58 3.15 1.57 -1.16 -0.69 116.57 121.01 1jrb h LYS 114 Ca 0.42 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1jrb h LYS 114 Cb 0.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jrb h LYS 114 CO -0.21 0.86 0.08 0.82 -0.57 0.00 0.00 179.45 180.42 1jrb h ILE 115 N 1.18 1.26 -0.52 1.86 2.04 -0.92 -0.55 117.51 121.85 1jrb h ILE 115 Ca 0.30 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1jrb h ILE 115 Cb 0.02 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1jrb h ILE 115 CO -0.05 0.37 -0.02 -0.61 0.00 0.00 0.00 178.15 177.84 1jrb h GLN 116 N 0.87 0.93 0.00 2.37 5.75 -0.71 -2.45 115.11 121.88 1jrb h GLN 116 Ca 0.17 -0.31 -0.07 0.00 -0.15 0.00 0.00 58.65 58.30 1jrb h GLN 116 Cb 0.44 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1jrb h GLN 116 CO 0.01 0.97 -0.32 0.93 -2.65 0.00 0.00 178.83 177.77 1jrb h GLU 117 N 0.80 0.00 0.00 1.69 5.08 -1.05 -3.45 114.58 117.65 1jrb h GLU 117 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 1jrb h GLU 117 Cb 0.56 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.94 1jrb h GLU 117 CO 0.03 0.32 0.20 -1.13 -1.00 0.00 0.00 179.01 177.44 1jrb n SER 118 N -3.52 -0.70 -0.84 1.42 3.41 -0.22 -4.93 113.62 108.23 1jrb n SER 118 Ca -0.00 -1.18 0.06 0.00 -0.26 0.00 0.00 58.87 57.49 1jrb n SER 118 Cb 0.47 -0.70 0.19 0.00 -0.26 0.00 0.00 64.21 63.91 1jrb n SER 118 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jrb n ASP 119 N -3.89 2.43 -4.68 4.04 8.00 -1.26 -4.95 116.55 116.25 1jrb n ASP 119 Ca 0.11 -2.10 -0.46 0.00 0.71 0.00 0.00 54.79 53.05 1jrb n ASP 119 Cb 0.40 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1jrb n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jrb n PHE 120 N 0.62 2.36 -0.91 1.24 7.35 -1.26 -4.84 117.46 122.01 1jrb n PHE 120 Ca 0.14 0.12 0.08 0.00 -0.76 0.00 0.00 57.45 57.03 1jrb n PHE 120 Cb 0.42 -2.61 0.18 0.00 0.35 0.00 0.00 39.48 37.82 1jrb n PHE 120 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jrb n SER 121 N 4.70 2.94 -0.75 -2.13 3.41 -1.26 -5.01 113.62 115.51 1jrb n SER 121 Ca 0.19 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1jrb n SER 121 Cb 0.30 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1jrb n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrb n GLY 122 N -0.90 1.54 3.27 5.00 0.00 -1.26 -4.95 105.19 107.88 1jrb n GLY 122 Ca 0.17 -1.70 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 1jrb n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrb s ILE 123 N 2.30 2.12 -0.07 -0.61 1.01 -0.65 -4.57 121.20 120.72 1jrb s ILE 123 Ca 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 1jrb s ILE 123 Cb 0.00 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1jrb s ILE 123 CO 0.00 0.57 0.13 -0.89 0.00 0.00 0.00 174.94 174.75 1jrb s THR 124 N -0.09 5.31 -0.19 2.92 2.01 -0.85 -0.33 115.64 124.42 1jrb s THR 124 Ca -0.06 0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1jrb s THR 124 Cb -0.14 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.03 1jrb s THR 124 CO 0.04 0.51 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.63 1jrb s GLU 125 N -1.34 2.49 -0.28 4.92 2.12 0.14 -0.36 118.70 126.38 1jrb s GLU 125 Ca 0.19 -0.84 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 1jrb s GLU 125 Cb -0.12 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 1jrb s GLU 125 CO 0.09 -0.32 0.49 -1.17 -0.54 0.00 0.00 175.26 173.81 1jrb s LEU 126 N 1.34 4.10 -0.43 2.70 2.96 0.04 -1.09 118.68 128.30 1jrb s LEU 126 Ca 0.02 0.37 -0.22 0.00 -0.22 0.00 0.00 54.13 54.08 1jrb s LEU 126 Cb -0.15 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1jrb s LEU 126 CO -0.10 -0.30 0.74 0.21 -1.32 0.00 0.00 176.35 175.57 1jrb s ASN 127 N 1.61 6.41 -0.15 3.68 3.84 -0.05 -1.27 114.94 129.00 1jrb s ASN 127 Ca 0.20 -0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.36 1jrb s ASN 127 Cb -0.16 -2.37 0.73 0.00 -0.55 0.00 0.00 41.25 38.91 1jrb s ASN 127 CO 0.10 -0.83 1.65 0.18 -2.79 0.00 0.00 177.10 175.41 1jrb n LEU 128 N 6.51 4.95 -0.82 3.21 4.77 -0.52 -4.47 117.00 130.64 1jrb n LEU 128 Ca 0.01 -2.61 0.01 0.00 -0.03 0.00 0.00 56.01 53.39 1jrb n LEU 128 Cb 0.48 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1jrb n LEU 128 CO 0.56 0.75 0.20 -1.54 -1.33 0.00 0.00 177.39 176.03 1jrb n SER 129 N 0.86 0.26 -4.55 -1.43 3.41 -1.25 -1.56 113.62 109.36 1jrb n SER 129 Ca 0.26 -1.92 -0.36 0.00 -0.26 0.00 0.00 58.87 56.59 1jrb n SER 129 Cb 0.97 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1jrb n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrb n PRO 131 N 9.12 0.33 -0.76 0.00 -0.04 -1.26 -4.06 135.00 138.33 1jrb n PRO 131 Ca 0.24 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 1jrb n PRO 131 Cb 0.50 -1.61 0.22 0.00 -0.04 0.00 0.00 33.50 32.57 1jrb n PRO 131 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1jrb n ASN 132 N -2.03 3.12 -4.65 3.54 2.04 -1.26 -4.87 115.26 111.14 1jrb n ASN 132 Ca 0.02 -3.52 -0.41 0.00 -0.44 0.00 0.00 54.58 50.23 1jrb n ASN 132 Cb 0.45 -0.64 -0.05 0.00 -2.53 0.00 0.00 39.78 37.01 1jrb n ASN 132 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1jrb s VAL 133 N -3.13 4.94 -0.44 3.53 -7.23 -1.26 -4.18 120.40 112.64 1jrb s VAL 133 Ca 0.46 1.34 -0.28 0.00 -1.81 0.00 0.00 61.98 61.69 1jrb s VAL 133 Cb 0.40 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 33.32 1jrb s VAL 133 CO 0.04 0.03 1.50 -2.16 -0.31 0.00 0.00 175.10 174.20 1jrb s PRO 134 N 2.34 3.44 0.00 4.82 0.06 -1.26 -4.25 135.00 140.14 1jrb s PRO 134 Ca 0.31 0.92 0.00 0.00 0.06 0.00 0.00 61.00 62.29 1jrb s PRO 134 Cb -0.16 -4.09 0.00 0.00 0.06 0.00 0.00 34.50 30.31 1jrb s PRO 134 CO 0.09 -1.74 0.00 0.41 0.06 0.00 0.00 177.00 175.83 1jrb n GLY 135 N 5.20 0.58 0.00 0.56 0.00 -1.26 -5.14 105.19 105.13 1jrb n GLY 135 Ca 0.17 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jrb n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrb n LYS 136 N 0.00 0.00 -1.68 1.61 4.76 -1.26 -5.13 118.16 116.46 1jrb n LYS 136 Ca 0.00 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.87 1jrb n LYS 136 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1jrb n LYS 136 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1jrb n PRO 137 N 0.00 1.11 -0.97 1.97 -0.04 -1.26 -4.82 135.00 131.00 1jrb n PRO 137 Ca 0.00 0.40 -0.38 0.00 -0.04 0.00 0.00 63.50 63.48 1jrb n PRO 137 Cb 0.00 -2.11 -0.05 0.00 -0.04 0.00 0.00 33.50 31.29 1jrb n PRO 137 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jrb n GLN 138 N 5.70 0.00 -0.18 0.54 6.02 -1.26 -4.80 117.38 123.40 1jrb n GLN 138 Ca 0.29 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.19 1jrb n GLN 138 Cb 0.13 -0.95 0.01 0.00 1.02 0.00 0.00 30.24 30.45 1jrb n GLN 138 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jrb h LEU 139 N 2.06 0.74 0.00 1.08 5.85 -1.84 -2.02 115.31 121.19 1jrb h LEU 139 Ca -0.32 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1jrb h LEU 139 Cb 0.90 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jrb h LEU 139 CO 0.44 0.74 0.00 0.00 -0.34 0.00 0.00 178.44 179.28 1jrb n ALA 140 N -2.36 1.83 1.25 1.25 0.00 -0.60 -0.72 120.51 121.16 1jrb n ALA 140 Ca 0.02 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1jrb n ALA 140 Cb 0.19 -1.19 0.33 0.00 0.00 0.00 0.00 19.45 18.77 1jrb n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jrb n TYR 141 N -1.14 0.01 -3.67 0.00 4.01 -0.76 -4.69 117.16 110.92 1jrb n TYR 141 Ca 0.07 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.43 1jrb n TYR 141 Cb 0.07 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 1jrb n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jrb s ASP 142 N -1.98 5.44 0.21 7.72 -1.08 0.10 -4.97 116.67 122.11 1jrb s ASP 142 Ca 0.33 -2.52 -0.07 0.00 -0.52 0.00 0.00 52.55 49.78 1jrb s ASP 142 Cb 0.21 -1.90 0.16 0.00 -1.46 0.00 0.00 42.92 39.92 1jrb s ASP 142 CO 0.32 -0.47 1.70 -0.26 0.52 0.00 0.00 175.17 176.97 1jrb h PHE 143 N 7.53 1.09 0.02 -5.34 0.04 -1.84 -0.15 116.94 118.29 1jrb h PHE 143 Ca -0.06 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1jrb h PHE 143 Cb 1.00 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1jrb h PHE 143 CO 0.69 0.94 -0.01 1.49 -0.60 0.00 0.00 178.31 180.82 1jrb h GLU 144 N 0.95 -0.02 -0.58 1.51 4.81 -1.93 -0.36 114.58 118.96 1jrb h GLU 144 Ca 0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1jrb h GLU 144 Cb 0.47 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1jrb h GLU 144 CO 0.02 0.01 0.06 0.00 -0.73 0.00 0.00 179.01 178.37 1jrb h ALA 145 N 0.93 1.02 0.04 2.92 0.00 -1.80 -1.57 119.26 120.81 1jrb h ALA 145 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jrb h ALA 145 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jrb h ALA 145 CO 0.00 0.62 -0.05 1.15 0.00 0.00 0.00 179.25 180.98 1jrb h THR 146 N 0.89 0.89 -0.71 0.00 2.02 -0.84 -1.51 112.91 113.65 1jrb h THR 146 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1jrb h THR 146 Cb 0.43 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1jrb h THR 146 CO 0.01 0.00 0.38 -0.08 0.37 0.00 0.00 175.52 176.21 1jrb h GLU 147 N -0.10 1.00 -0.75 6.66 4.81 -0.81 -1.57 114.58 123.83 1jrb h GLU 147 Ca 0.01 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1jrb h GLU 147 Cb 0.10 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1jrb h GLU 147 CO -0.02 0.76 0.39 -0.22 -0.73 0.00 0.00 179.01 179.19 1jrb h LYS 148 N 0.99 1.04 -0.19 1.92 3.64 -1.19 -0.62 116.57 122.16 1jrb h LYS 148 Ca 0.25 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1jrb h LYS 148 Cb 0.06 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1jrb h LYS 148 CO -0.04 0.78 -0.12 1.25 -2.27 0.00 0.00 179.45 179.05 1jrb h LEU 149 N 1.05 0.43 -1.01 5.20 5.85 -0.82 -2.40 115.31 123.60 1jrb h LEU 149 Ca 0.26 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1jrb h LEU 149 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1jrb h LEU 149 CO -0.04 0.78 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.52 1jrb h LEU 150 N 0.09 0.42 -0.35 2.25 3.38 -1.12 0.03 115.31 120.01 1jrb h LEU 150 Ca 0.04 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jrb h LEU 150 Cb 0.63 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1jrb h LEU 150 CO 0.03 0.66 0.23 0.11 0.09 0.00 0.00 178.44 179.56 1jrb h LYS 151 N 0.37 0.45 -0.65 1.13 1.57 -0.97 -1.16 116.57 117.31 1jrb h LYS 151 Ca 0.06 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1jrb h LYS 151 Cb 0.63 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1jrb h LYS 151 CO 0.05 0.30 0.16 1.49 -0.57 0.00 0.00 179.45 180.87 1jrb h GLU 152 N 0.46 1.04 -0.41 3.15 4.81 -0.83 -2.91 114.58 119.89 1jrb h GLU 152 Ca 0.13 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jrb h GLU 152 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1jrb h GLU 152 CO -0.04 0.94 0.26 0.28 -0.73 0.00 0.00 179.01 179.72 1jrb h VAL 153 N 0.96 1.09 -0.01 0.32 2.07 -0.53 -2.66 116.25 117.49 1jrb h VAL 153 Ca 0.20 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jrb h VAL 153 Cb 0.36 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1jrb h VAL 153 CO 0.00 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.18 1jrb n PHE 154 N -4.82 0.01 0.35 1.57 3.72 -0.48 -1.00 117.46 116.81 1jrb n PHE 154 Ca 0.01 -0.01 0.14 0.00 -0.05 0.00 0.00 57.45 57.55 1jrb n PHE 154 Cb 0.03 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.10 1jrb n PHE 154 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1jrb h THR 155 N 0.10 0.00 0.00 4.37 1.35 -1.29 -3.40 112.91 114.04 1jrb h THR 155 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1jrb h THR 155 Cb 0.02 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1jrb h THR 155 CO 0.00 0.00 -0.02 2.22 -0.25 0.00 0.00 175.52 177.47 1jrb n PHE 156 N -2.74 0.00 -3.08 4.73 1.16 -0.77 -5.07 117.46 111.70 1jrb n PHE 156 Ca 0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.19 1jrb n PHE 156 Cb 0.33 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.14 1jrb n PHE 156 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1jrb s PHE 157 N -0.53 3.18 -0.40 2.97 5.36 -0.17 -4.89 117.98 123.51 1jrb s PHE 157 Ca 0.00 0.50 0.12 0.00 -0.96 0.00 0.00 56.93 56.59 1jrb s PHE 157 Cb 0.00 -3.11 -0.15 0.00 -0.34 0.00 0.00 43.02 39.42 1jrb s PHE 157 CO 0.00 -0.57 0.43 0.25 -1.46 0.00 0.00 175.22 173.87 1jrb n THR 158 N 5.52 0.00 -1.92 0.12 -2.24 -1.26 -4.75 114.28 109.75 1jrb n THR 158 Ca -0.00 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1jrb n THR 158 Cb 0.49 0.77 0.07 0.00 -2.10 0.00 0.00 70.33 69.55 1jrb n THR 158 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jrb s LYS 159 N -2.33 2.40 0.05 -0.78 1.02 -1.26 -4.96 119.74 113.88 1jrb s LYS 159 Ca 0.02 0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 1jrb s LYS 159 Cb 0.09 -2.00 -0.09 0.00 -0.52 0.00 0.00 37.83 35.31 1jrb s LYS 159 CO 0.49 -1.31 1.85 -2.14 -0.92 0.00 0.00 175.35 173.33 1jrb s PRO 160 N -5.45 4.15 -0.05 -1.68 0.02 -1.26 -4.95 135.00 125.78 1jrb s PRO 160 Ca 0.60 2.52 0.01 0.00 0.02 0.00 0.00 61.00 64.16 1jrb s PRO 160 Cb -0.11 -3.92 0.02 0.00 0.02 0.00 0.00 34.50 30.51 1jrb s PRO 160 CO 0.50 -0.89 -0.07 -1.17 -0.33 0.00 0.00 177.00 175.05 1jrb s LEU 161 N 3.72 1.41 0.37 -5.54 2.96 -1.26 -2.01 118.68 118.33 1jrb s LEU 161 Ca 0.83 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1jrb s LEU 161 Cb -0.42 -0.56 -0.06 0.00 0.50 0.00 0.00 46.19 45.65 1jrb s LEU 161 CO 0.38 -0.03 0.04 -0.83 -1.32 0.00 0.00 176.35 174.58 1jrb s GLY 162 N 0.87 2.21 -0.02 7.98 0.00 0.51 -0.01 107.32 118.86 1jrb s GLY 162 Ca -0.12 -2.06 0.05 0.00 0.00 0.00 0.00 44.72 42.59 1jrb s GLY 162 CO 0.01 -1.95 -0.17 -1.34 0.00 0.00 0.00 173.10 169.65 1jrb s VAL 163 N -2.58 1.38 -0.26 1.40 -7.23 -0.79 -0.78 120.40 111.53 1jrb s VAL 163 Ca 0.36 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.65 1jrb s VAL 163 Cb 0.03 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1jrb s VAL 163 CO 0.19 0.39 0.36 -0.75 -0.31 0.00 0.00 175.10 174.99 1jrb s LYS 164 N -0.27 4.03 0.18 4.82 2.47 -0.40 -0.07 119.74 130.49 1jrb s LYS 164 Ca 0.04 0.04 0.08 0.00 -1.56 0.00 0.00 55.97 54.56 1jrb s LYS 164 Cb -0.08 -3.64 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 1jrb s LYS 164 CO 0.00 -0.25 -0.03 -0.51 0.16 0.00 0.00 175.35 174.73 1jrb s LEU 165 N 1.99 3.22 0.66 5.43 1.43 0.01 -1.44 118.68 129.98 1jrb s LEU 165 Ca 0.15 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1jrb s LEU 165 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1jrb s LEU 165 CO 0.10 0.09 1.05 -2.16 0.23 0.00 0.00 176.35 175.66 1jrb s PRO 166 N -2.94 3.14 0.37 1.29 0.04 -1.26 -1.20 135.00 134.44 1jrb s PRO 166 Ca 0.27 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 61.96 1jrb s PRO 166 Cb -0.09 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1jrb s PRO 166 CO 0.18 -0.93 1.46 -1.25 0.04 0.00 0.00 177.00 176.49 1jrb s PRO 167 N -4.96 4.15 0.18 0.56 0.04 -1.26 -4.81 135.00 128.90 1jrb s PRO 167 Ca 0.58 2.52 0.08 0.00 0.04 0.00 0.00 61.00 64.21 1jrb s PRO 167 Cb -0.13 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1jrb s PRO 167 CO 0.52 -0.48 -0.02 0.71 0.04 0.00 0.00 177.00 177.77 1jrb s TYR 168 N -1.09 2.79 -0.01 0.56 2.02 -1.26 -5.05 117.35 115.31 1jrb s TYR 168 Ca 0.52 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 1jrb s TYR 168 Cb -0.45 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 1jrb s TYR 168 CO 0.61 0.52 0.76 1.19 -1.57 0.00 0.00 175.55 177.06 1jrb n PHE 169 N -0.11 0.00 -3.74 2.71 3.01 -1.26 -4.86 117.46 113.21 1jrb n PHE 169 Ca -0.10 -0.20 -0.18 0.00 1.01 0.00 0.00 57.45 57.98 1jrb n PHE 169 Cb 0.55 -0.03 -0.17 0.00 -0.01 0.00 0.00 39.48 39.82 1jrb n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jrb s ASP 170 N -0.64 0.67 0.53 4.37 -1.08 -1.26 -5.04 116.67 114.21 1jrb s ASP 170 Ca 0.03 0.05 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 1jrb s ASP 170 Cb 0.02 -0.14 1.36 0.00 -1.46 0.00 0.00 42.92 42.71 1jrb s ASP 170 CO 0.00 -0.18 2.11 -0.07 0.52 0.00 0.00 175.17 177.55 1jrb h LEU 171 N 7.87 0.00 -0.91 -1.34 3.38 -2.00 -0.12 115.31 122.18 1jrb h LEU 171 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 1jrb h LEU 171 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1jrb h LEU 171 CO 0.32 0.00 -0.41 0.58 0.09 0.00 0.00 178.44 179.01 1jrb h VAL 172 N 0.00 1.31 -0.32 1.22 2.07 -1.99 -1.12 116.25 117.42 1jrb h VAL 172 Ca 0.07 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 1jrb h VAL 172 Cb 0.29 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1jrb h VAL 172 CO -0.00 0.46 -0.19 0.45 0.02 0.00 0.00 177.57 178.32 1jrb h HIS 173 N 0.22 0.66 -0.65 1.57 3.86 -1.45 -1.26 115.15 118.10 1jrb h HIS 173 Ca 0.02 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1jrb h HIS 173 Cb 0.83 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 1jrb h HIS 173 CO 0.02 0.74 0.36 0.74 0.86 0.00 0.00 177.93 180.65 1jrb h PHE 174 N 0.53 0.89 -0.12 2.45 0.04 -1.06 -1.72 116.94 117.95 1jrb h PHE 174 Ca 0.09 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.84 1jrb h PHE 174 Cb 0.62 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1jrb h PHE 174 CO 0.02 0.63 0.06 -0.44 -0.60 0.00 0.00 178.31 177.98 1jrb h ASP 175 N 0.89 0.09 -0.15 2.17 3.32 -0.85 -0.88 116.42 121.01 1jrb h ASP 175 Ca 0.23 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1jrb h ASP 175 Cb 0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1jrb h ASP 175 CO -0.04 0.07 0.07 0.40 -1.72 0.00 0.00 179.24 178.03 1jrb h ILE 176 N 0.13 1.00 -0.63 0.35 2.04 -1.12 -2.24 117.51 117.04 1jrb h ILE 176 Ca 0.05 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1jrb h ILE 176 Cb 0.01 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1jrb h ILE 176 CO -0.03 0.03 0.08 0.24 0.00 0.00 0.00 178.15 178.47 1jrb h MET 177 N 0.16 1.05 -0.45 2.37 2.86 -1.24 -2.08 114.93 117.60 1jrb h MET 177 Ca 0.06 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1jrb h MET 177 Cb 0.01 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1jrb h MET 177 CO -0.04 0.99 0.09 0.00 1.06 0.00 0.00 176.91 179.00 1jrb h ALA 178 N 1.02 1.32 -0.52 6.32 0.00 -1.03 0.13 119.26 126.50 1jrb h ALA 178 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jrb h ALA 178 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1jrb h ALA 178 CO 0.02 0.48 0.12 1.49 0.00 0.00 0.00 179.25 181.36 1jrb h GLU 179 N 0.66 0.83 -0.10 0.00 4.81 -1.25 0.17 114.58 119.70 1jrb h GLU 179 Ca 0.15 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1jrb h GLU 179 Cb 0.28 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1jrb h GLU 179 CO 0.00 0.79 0.05 0.82 -0.73 0.00 0.00 179.01 179.94 1jrb h ILE 180 N 0.72 1.11 0.00 2.32 2.04 -0.96 -3.28 117.51 119.46 1jrb h ILE 180 Ca 0.16 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.57 1jrb h ILE 180 Cb 0.34 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1jrb h ILE 180 CO 0.00 0.10 -0.66 -0.07 0.00 0.00 0.00 178.15 177.52 1jrb h LEU 181 N 0.05 0.00 -1.35 1.44 3.38 -0.67 -3.00 115.31 115.15 1jrb h LEU 181 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jrb h LEU 181 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jrb h LEU 181 CO -0.00 0.66 0.00 0.78 0.09 0.00 0.00 178.44 179.96 1jrb h ASN 182 N 0.00 0.00 0.65 -0.43 2.35 -0.72 -1.64 115.58 115.79 1jrb h ASN 182 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1jrb h ASN 182 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1jrb h ASN 182 CO 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 1jrb n GLN 183 N -2.84 0.09 -4.25 0.81 10.64 -1.13 -4.87 117.38 115.82 1jrb n GLN 183 Ca 0.01 0.12 -0.23 0.00 -1.83 0.00 0.00 57.00 55.07 1jrb n GLN 183 Cb 0.27 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.08 1jrb n GLN 183 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jrb s PHE 184 N -2.88 2.78 -1.07 2.61 0.08 -0.62 -5.03 117.98 113.85 1jrb s PHE 184 Ca 0.13 -0.21 -0.07 0.00 0.12 0.00 0.00 56.93 56.90 1jrb s PHE 184 Cb 0.14 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 1jrb s PHE 184 CO 0.37 0.58 2.91 -0.35 -0.10 0.00 0.00 175.22 178.64 1jrb n PRO 185 N -0.97 3.46 -2.74 0.24 -0.04 -1.26 -4.94 135.00 128.74 1jrb n PRO 185 Ca -0.06 -2.34 -0.36 0.00 -0.04 0.00 0.00 63.50 60.69 1jrb n PRO 185 Cb 0.59 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 1jrb n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jrb s LEU 186 N -0.81 4.25 0.05 1.53 1.43 -1.26 -4.83 118.68 119.03 1jrb s LEU 186 Ca 0.64 1.85 -0.15 0.00 -1.03 0.00 0.00 54.13 55.43 1jrb s LEU 186 Cb 0.24 -4.12 -0.30 0.00 0.03 0.00 0.00 46.19 42.03 1jrb s LEU 186 CO -0.08 -0.18 1.08 0.74 0.23 0.00 0.00 176.35 178.14 1jrb h THR 187 N 2.44 1.29 -2.90 5.49 2.02 -0.73 -3.39 112.91 117.11 1jrb h THR 187 Ca -0.47 -2.48 0.03 0.00 0.77 0.00 0.00 66.41 64.25 1jrb h THR 187 Cb 1.19 2.75 -0.10 0.00 -1.74 0.00 0.00 68.15 70.25 1jrb h THR 187 CO 0.64 0.75 0.25 -0.72 0.37 0.00 0.00 175.52 176.81 1jrb s TYR 188 N -2.93 -0.41 0.04 3.16 -0.85 -1.17 -1.52 117.35 113.67 1jrb s TYR 188 Ca -0.10 0.13 0.09 0.00 -0.52 0.00 0.00 57.07 56.67 1jrb s TYR 188 Cb 0.05 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 1jrb s TYR 188 CO 0.93 -0.93 -0.25 0.14 -1.52 0.00 0.00 175.55 173.93 1jrb s VAL 189 N -3.72 1.99 -0.29 -3.49 -7.23 -0.25 -1.89 120.40 105.52 1jrb s VAL 189 Ca 0.05 -1.32 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1jrb s VAL 189 Cb -0.02 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.27 1jrb s VAL 189 CO -0.07 0.33 -0.04 0.21 -0.31 0.00 0.00 175.10 175.22 1jrb s ASN 190 N -1.19 4.70 -0.38 4.85 3.84 0.90 -0.35 114.94 127.30 1jrb s ASN 190 Ca 0.10 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 51.80 1jrb s ASN 190 Cb -0.10 -1.64 0.11 0.00 -0.55 0.00 0.00 41.25 39.07 1jrb s ASN 190 CO 0.02 -0.24 0.14 -0.44 -2.79 0.00 0.00 177.10 173.79 1jrb s SER 191 N 1.19 5.03 -0.08 -4.21 0.01 -0.73 -0.81 113.70 114.09 1jrb s SER 191 Ca -0.06 -2.10 -0.12 0.00 1.31 0.00 0.00 55.95 54.98 1jrb s SER 191 Cb -0.20 -1.74 0.03 0.00 0.21 0.00 0.00 66.02 64.32 1jrb s SER 191 CO -0.03 -0.47 0.31 0.68 0.41 0.00 0.00 173.24 174.14 1jrb s VAL 192 N 1.02 0.02 1.16 3.43 -7.23 -0.42 -0.75 120.40 117.63 1jrb s VAL 192 Ca 0.10 -0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 59.91 1jrb s VAL 192 Cb -0.21 -0.49 0.27 0.00 0.56 0.00 0.00 36.38 36.51 1jrb s VAL 192 CO -0.06 -0.09 1.13 0.21 -0.31 0.00 0.00 175.10 175.98 1jrb s ASN 193 N -0.33 1.26 0.84 4.85 3.84 -0.34 -4.56 114.94 120.50 1jrb s ASN 193 Ca -0.05 0.61 -0.14 0.00 0.21 0.00 0.00 52.86 53.50 1jrb s ASN 193 Cb -0.03 -0.85 0.04 0.00 -0.55 0.00 0.00 41.25 39.85 1jrb s ASN 193 CO 0.02 -3.91 0.71 -1.20 -2.79 0.00 0.00 177.10 169.93 1jrb n SER 194 N -4.62 -0.79 -4.65 -4.21 7.64 -1.26 -4.50 113.62 101.23 1jrb n SER 194 Ca 0.13 0.48 -0.43 0.00 1.01 0.00 0.00 58.87 60.07 1jrb n SER 194 Cb 0.59 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1jrb n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jrb s ILE 195 N -2.20 4.01 0.30 0.44 1.01 -0.38 -4.63 121.20 119.76 1jrb s ILE 195 Ca 0.65 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 1jrb s ILE 195 Cb -0.27 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.25 1jrb s ILE 195 CO 0.59 -0.18 1.39 -0.83 0.00 0.00 0.00 174.94 175.91 1jrb s GLY 196 N 2.71 2.72 -1.34 6.18 0.00 -1.26 -1.04 107.32 115.28 1jrb s GLY 196 Ca 0.62 1.33 -0.02 0.00 0.00 0.00 0.00 44.72 46.65 1jrb s GLY 196 CO 0.21 2.11 0.75 0.70 0.00 0.00 0.00 173.10 176.87 1jrb n ASN 197 N 1.37 -1.73 -4.43 1.64 3.02 -1.16 -4.89 115.26 109.09 1jrb n ASN 197 Ca 0.03 -0.81 -0.27 0.00 -0.03 0.00 0.00 54.58 53.50 1jrb n ASN 197 Cb 0.41 -4.06 0.14 0.00 -0.61 0.00 0.00 39.78 35.67 1jrb n ASN 197 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jrb s GLY 198 N -4.21 1.76 -0.07 7.41 0.00 -0.44 -4.74 107.32 107.04 1jrb s GLY 198 Ca 0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1jrb s GLY 198 CO 0.81 -0.77 0.17 -2.27 0.00 0.00 0.00 173.10 171.05 1jrb s LEU 199 N -5.51 1.05 -0.01 0.66 2.96 -1.26 -1.49 118.68 115.08 1jrb s LEU 199 Ca 0.70 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 1jrb s LEU 199 Cb -0.05 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.17 1jrb s LEU 199 CO 0.49 -0.10 -0.16 0.12 -1.32 0.00 0.00 176.35 175.38 1jrb s PHE 200 N 0.55 1.45 -0.03 5.38 5.36 -1.26 -5.07 117.98 124.35 1jrb s PHE 200 Ca -0.04 -0.28 0.04 0.00 -0.96 0.00 0.00 56.93 55.70 1jrb s PHE 200 Cb -0.05 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.70 1jrb s PHE 200 CO -0.03 -0.02 -0.16 0.42 -1.46 0.00 0.00 175.22 173.97 1jrb s ILE 201 N -0.41 1.32 -0.47 3.12 1.01 -1.26 -3.61 121.20 120.90 1jrb s ILE 201 Ca 0.06 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 1jrb s ILE 201 Cb -0.06 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1jrb s ILE 201 CO -0.00 0.38 0.68 -0.62 0.00 0.00 0.00 174.94 175.38 1jrb s ASP 202 N -0.08 6.31 0.34 3.58 -1.08 -0.30 -4.95 116.67 120.50 1jrb s ASP 202 Ca -0.00 -0.46 0.16 0.00 -0.52 0.00 0.00 52.55 51.73 1jrb s ASP 202 Cb -0.10 -2.33 0.59 0.00 -1.46 0.00 0.00 42.92 39.62 1jrb s ASP 202 CO 0.01 -0.86 1.71 1.55 0.52 0.00 0.00 175.17 178.09 1jrb h PRO 203 N 8.96 0.00 0.07 4.34 0.13 -1.95 0.21 132.00 143.76 1jrb h PRO 203 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jrb h PRO 203 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jrb h PRO 203 CO 0.93 0.45 -0.03 1.49 -0.23 0.00 0.00 178.00 180.62 1jrb h GLU 204 N 0.00 -0.08 -0.00 0.86 4.57 -1.96 -2.80 114.58 115.17 1jrb h GLU 204 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jrb h GLU 204 Cb 0.93 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1jrb h GLU 204 CO 0.06 0.07 -0.09 0.00 -1.18 0.00 0.00 179.01 177.87 1jrb n ALA 205 N -2.20 2.55 -3.73 2.92 0.00 -1.17 -4.91 120.51 113.97 1jrb n ALA 205 Ca -0.08 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 52.96 1jrb n ALA 205 Cb 0.12 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.21 1jrb n ALA 205 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jrb n GLU 206 N -1.50 -6.46 -4.08 0.00 1.02 0.70 -4.95 120.64 105.37 1jrb n GLU 206 Ca 0.07 0.71 -0.11 0.00 -0.02 0.00 0.00 57.16 57.81 1jrb n GLU 206 Cb 0.34 -5.63 -0.07 0.00 -0.02 0.00 0.00 31.44 26.06 1jrb n GLU 206 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1jrb s SER 207 N -3.55 0.17 0.89 1.62 1.04 -0.85 -4.99 113.70 108.05 1jrb s SER 207 Ca 0.49 -1.18 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 1jrb s SER 207 Cb -0.23 0.53 0.13 0.00 0.10 0.00 0.00 66.02 66.55 1jrb s SER 207 CO 0.78 -1.07 1.18 0.68 0.98 0.00 0.00 173.24 175.80 1jrb s VAL 208 N -3.91 1.98 -0.11 5.02 -7.23 -1.26 -1.14 120.40 113.74 1jrb s VAL 208 Ca 0.29 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 1jrb s VAL 208 Cb 0.02 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 1jrb s VAL 208 CO 0.12 0.00 0.19 1.33 -0.31 0.00 0.00 175.10 176.43 1jrb n VAL 209 N -3.63 0.00 -4.33 1.32 0.24 -1.24 -4.68 118.33 106.01 1jrb n VAL 209 Ca 0.09 -0.47 -0.26 0.00 -2.04 0.00 0.00 64.34 61.66 1jrb n VAL 209 Cb 0.60 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.85 1jrb n VAL 209 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jrb s ILE 210 N -0.90 1.92 -0.06 1.34 -4.36 -1.26 -4.83 121.20 113.05 1jrb s ILE 210 Ca 0.01 -1.63 -0.22 0.00 -0.26 0.00 0.00 60.65 58.55 1jrb s ILE 210 Cb 0.01 -1.73 -0.16 0.00 1.25 0.00 0.00 42.46 41.83 1jrb s ILE 210 CO 0.05 -0.01 0.88 0.50 0.24 0.00 0.00 174.94 176.61 1jrb h LYS 211 N 3.99 -0.17 -7.19 0.37 3.64 -0.54 -3.18 116.57 113.48 1jrb h LYS 211 Ca -0.48 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 1jrb h LYS 211 Cb 1.18 0.04 0.17 0.00 -0.41 0.00 0.00 32.23 33.20 1jrb h LYS 211 CO 0.39 0.29 0.37 -1.25 -2.27 0.00 0.00 179.45 176.98 1jrb s PRO 212 N -3.37 1.89 -1.56 1.90 0.04 -1.26 -3.95 135.00 128.69 1jrb s PRO 212 Ca -0.13 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1jrb s PRO 212 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1jrb s PRO 212 CO 0.50 -2.02 0.57 1.63 0.04 0.00 0.00 177.00 177.71 1jrb n LYS 213 N -3.03 -4.66 -2.52 4.56 5.02 -1.26 -1.51 118.16 114.76 1jrb n LYS 213 Ca 0.13 0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 57.19 1jrb n LYS 213 Cb 0.50 -5.74 -0.00 0.00 -0.02 0.00 0.00 35.03 29.77 1jrb n LYS 213 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jrb n ASP 214 N -2.49 -3.67 0.00 4.39 8.00 -1.25 -2.24 116.55 119.28 1jrb n ASP 214 Ca -0.12 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1jrb n ASP 214 Cb 0.62 -3.13 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 1jrb n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jrb n GLY 215 N -0.81 0.63 3.73 0.44 0.00 -0.57 -4.92 105.19 103.69 1jrb n GLY 215 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1jrb n GLY 215 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrb s PHE 216 N -2.43 3.83 0.27 1.61 0.40 -0.95 -4.43 117.98 116.28 1jrb s PHE 216 Ca 0.00 1.81 -0.17 0.00 -0.60 0.00 0.00 56.93 57.97 1jrb s PHE 216 Cb 0.00 -3.04 0.01 0.00 0.51 0.00 0.00 43.02 40.50 1jrb s PHE 216 CO 0.00 0.24 0.61 0.20 0.70 0.00 0.00 175.22 176.96 1jrb s GLY 217 N -0.14 0.24 0.31 4.36 0.00 -0.56 -4.74 107.32 106.80 1jrb s GLY 217 Ca 0.46 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 1jrb s GLY 217 CO 0.30 -0.36 1.26 -0.32 0.00 0.00 0.00 173.10 173.98 1jrb s GLY 218 N -2.98 2.99 -0.17 0.20 0.00 0.20 -1.33 107.32 106.23 1jrb s GLY 218 Ca 0.17 1.18 -0.09 0.00 0.00 0.00 0.00 44.72 45.97 1jrb s GLY 218 CO 0.08 1.83 0.15 -0.42 0.00 0.00 0.00 173.10 174.74 1jrb s ILE 219 N -1.08 5.43 0.42 0.90 -1.09 -0.21 -1.07 121.20 124.50 1jrb s ILE 219 Ca 0.48 0.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.17 1jrb s ILE 219 Cb -0.38 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1jrb s ILE 219 CO 0.50 0.49 0.16 -0.83 -1.23 0.00 0.00 174.94 174.02 1jrb s GLY 220 N -0.05 2.70 0.00 6.18 0.00 -0.52 -1.24 107.32 114.38 1jrb s GLY 220 Ca 0.11 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1jrb s GLY 220 CO 0.00 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1jrb n GLY 221 N -0.93 -0.60 0.20 0.20 0.00 -1.26 -1.80 105.19 100.99 1jrb n GLY 221 Ca -0.05 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.46 1jrb n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrb h ALA 222 N 0.00 1.46 -1.05 4.61 0.00 -1.49 0.84 119.26 123.62 1jrb h ALA 222 Ca 0.00 -0.28 0.27 0.00 0.00 0.00 0.00 54.91 54.90 1jrb h ALA 222 Cb 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.64 1jrb h ALA 222 CO 0.00 0.40 0.68 1.88 0.00 0.00 0.00 179.25 182.21 1jrb h TYR 223 N 0.05 0.60 -0.33 0.00 0.05 -1.46 -3.00 116.97 112.89 1jrb h TYR 223 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1jrb h TYR 223 Cb 0.55 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1jrb h TYR 223 CO 0.00 0.05 0.00 0.44 -1.05 0.00 0.00 178.16 177.60 1jrb n ILE 224 N -4.60 0.67 0.14 -2.88 -5.35 0.29 -4.61 119.36 103.02 1jrb n ILE 224 Ca 0.25 -0.83 0.02 0.00 -0.27 0.00 0.00 62.75 61.93 1jrb n ILE 224 Cb 0.91 0.77 0.39 0.00 -1.74 0.00 0.00 39.64 39.97 1jrb n ILE 224 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jrb h LYS 225 N 2.91 0.16 -0.36 6.28 3.64 -1.57 0.33 116.57 127.97 1jrb h LYS 225 Ca 0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1jrb h LYS 225 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1jrb h LYS 225 CO 0.00 0.37 -0.37 -1.35 -2.27 0.00 0.00 179.45 175.83 1jrb h PRO 226 N 0.15 0.84 -0.26 1.90 0.11 -1.83 0.13 132.00 133.04 1jrb h PRO 226 Ca 0.03 -0.43 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 1jrb h PRO 226 Cb 0.45 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1jrb h PRO 226 CO 0.03 1.07 -0.40 1.15 -0.21 0.00 0.00 178.00 179.64 1jrb h THR 227 N 0.70 1.30 -0.25 -1.15 2.02 -1.72 -2.17 112.91 111.64 1jrb h THR 227 Ca 0.06 -1.60 -0.08 0.00 0.77 0.00 0.00 66.41 65.57 1jrb h THR 227 Cb 0.94 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1jrb h THR 227 CO 0.09 0.51 -0.14 0.00 0.37 0.00 0.00 175.52 176.34 1jrb h ALA 228 N 0.66 0.35 -0.98 6.16 0.00 -0.16 -1.13 119.26 124.16 1jrb h ALA 228 Ca 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jrb h ALA 228 Cb 0.99 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1jrb h ALA 228 CO 0.09 0.23 0.64 -0.07 0.00 0.00 0.00 179.25 180.15 1jrb h LEU 229 N 0.25 1.07 -0.61 0.00 3.38 -0.80 -1.25 115.31 117.35 1jrb h LEU 229 Ca 0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jrb h LEU 229 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1jrb h LEU 229 CO 0.04 0.73 0.27 0.00 0.09 0.00 0.00 178.44 179.57 1jrb h ALA 230 N 1.43 0.79 -0.40 1.53 0.00 -1.17 0.61 119.26 122.04 1jrb h ALA 230 Ca 0.39 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1jrb h ALA 230 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jrb h ALA 230 CO -0.12 0.38 -0.23 -0.91 0.00 0.00 0.00 179.25 178.37 1jrb h ASN 231 N 0.84 0.82 0.14 0.00 2.35 -0.70 0.10 115.58 119.13 1jrb h ASN 231 Ca 0.21 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1jrb h ASN 231 Cb 0.16 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1jrb h ASN 231 CO -0.02 1.01 -0.07 0.58 -1.65 0.00 0.00 177.43 177.28 1jrb h VAL 232 N 0.70 0.98 -0.68 2.81 2.07 -0.99 -2.05 116.25 119.09 1jrb h VAL 232 Ca 0.10 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1jrb h VAL 232 Cb 0.75 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1jrb h VAL 232 CO 0.06 0.13 0.41 -0.09 0.02 0.00 0.00 177.57 178.10 1jrb h ARG 233 N -0.45 0.76 -0.23 1.57 9.65 -0.84 -0.54 114.38 124.30 1jrb h ARG 233 Ca -0.02 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.69 1jrb h ARG 233 Cb 0.36 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1jrb h ARG 233 CO 0.03 0.50 -0.37 0.00 2.80 0.00 0.00 179.97 182.94 1jrb h ALA 234 N 1.31 0.93 0.00 2.80 0.00 -0.92 -1.13 119.26 122.25 1jrb h ALA 234 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1jrb h ALA 234 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jrb h ALA 234 CO -0.13 0.62 -0.69 0.74 0.00 0.00 0.00 179.25 179.79 1jrb h PHE 235 N 0.43 0.00 -0.41 0.00 0.04 -1.20 -3.14 116.94 112.66 1jrb h PHE 235 Ca 0.04 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1jrb h PHE 235 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1jrb h PHE 235 CO 0.03 0.69 -0.19 -0.92 -0.60 0.00 0.00 178.31 177.32 1jrb h TYR 236 N 0.00 0.90 -0.00 -0.55 3.20 -0.44 0.33 116.97 120.42 1jrb h TYR 236 Ca -0.01 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1jrb h TYR 236 Cb 1.38 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1jrb h TYR 236 CO 0.00 0.92 -0.04 0.25 -1.64 0.00 0.00 178.16 177.65 1jrb n THR 237 N -4.13 0.00 -0.03 1.81 -2.24 -0.49 -4.10 114.28 105.10 1jrb n THR 237 Ca 0.00 -0.02 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1jrb n THR 237 Cb 0.42 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1jrb n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jrb n ARG 238 N -1.12 2.22 -2.71 -0.78 1.74 -0.67 -5.05 116.66 110.29 1jrb n ARG 238 Ca 0.16 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 1jrb n ARG 238 Cb 0.24 -1.20 -0.06 0.00 -1.02 0.00 0.00 32.46 30.42 1jrb n ARG 238 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jrb s LEU 239 N -4.38 3.97 0.60 0.55 1.43 0.11 -4.94 118.68 116.03 1jrb s LEU 239 Ca -0.04 1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1jrb s LEU 239 Cb 0.03 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 1jrb s LEU 239 CO 0.33 -0.46 1.04 2.29 0.23 0.00 0.00 176.35 179.78 1jrb n LYS 240 N -0.56 0.98 0.25 1.70 2.85 -1.26 -4.89 118.16 117.24 1jrb n LYS 240 Ca 0.07 0.38 0.16 0.00 -1.05 0.00 0.00 58.31 57.87 1jrb n LYS 240 Cb 0.53 -2.25 0.64 0.00 -0.65 0.00 0.00 35.03 33.30 1jrb n LYS 240 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1jrb h PRO 241 N 0.56 0.00 -0.40 -1.58 0.13 -1.95 -0.26 132.00 128.50 1jrb h PRO 241 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1jrb h PRO 241 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 1jrb h PRO 241 CO 0.52 0.00 0.27 0.93 -0.23 0.00 0.00 178.00 179.49 1jrb h GLU 242 N 0.00 0.19 -4.75 0.86 3.07 -1.94 -3.39 114.58 108.62 1jrb h GLU 242 Ca 0.00 -0.01 -0.70 0.00 -0.50 0.00 0.00 59.36 58.15 1jrb h GLU 242 Cb 0.51 -0.04 -0.19 0.00 -0.84 0.00 0.00 28.75 28.19 1jrb h GLU 242 CO 0.00 0.13 -0.31 0.42 -1.40 0.00 0.00 179.01 177.85 1jrb s ILE 243 N -5.21 5.17 0.79 3.13 1.01 -0.11 -4.77 121.20 121.21 1jrb s ILE 243 Ca -0.06 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1jrb s ILE 243 Cb 0.19 -3.95 0.15 0.00 0.01 0.00 0.00 42.46 38.85 1jrb s ILE 243 CO 0.72 -0.31 1.09 -1.10 0.00 0.00 0.00 174.94 175.33 1jrb s GLN 244 N 1.95 1.38 -0.03 2.79 -0.21 -0.58 -4.82 119.66 120.15 1jrb s GLN 244 Ca 0.09 -0.93 0.04 0.00 0.02 0.00 0.00 55.36 54.59 1jrb s GLN 244 Cb -0.18 -2.20 -0.00 0.00 1.00 0.00 0.00 33.01 31.63 1jrb s GLN 244 CO 0.12 -1.72 -0.15 0.42 -2.12 0.00 0.00 175.29 171.84 1jrb s ILE 245 N -3.35 1.20 -0.19 1.08 1.01 -1.26 -1.09 121.20 118.59 1jrb s ILE 245 Ca 0.68 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 1jrb s ILE 245 Cb -0.05 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1jrb s ILE 245 CO 0.47 0.35 0.01 -0.63 0.00 0.00 0.00 174.94 175.13 1jrb s ILE 246 N -0.08 4.14 -0.07 2.92 1.01 0.53 -0.51 121.20 129.15 1jrb s ILE 246 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1jrb s ILE 246 Cb -0.09 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1jrb s ILE 246 CO 0.01 0.44 0.38 -0.83 0.00 0.00 0.00 174.94 174.94 1jrb s GLY 247 N 0.77 2.38 -0.06 6.18 0.00 -0.35 -1.77 107.32 114.47 1jrb s GLY 247 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1jrb s GLY 247 CO 0.02 0.29 0.12 -1.59 0.00 0.00 0.00 173.10 171.94 1jrb s THR 248 N -0.42 -0.09 0.00 0.90 2.01 0.07 -0.77 115.64 117.35 1jrb s THR 248 Ca 0.22 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1jrb s THR 248 Cb -0.15 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1jrb s THR 248 CO 0.10 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 1jrb n GLY 249 N 4.42 2.86 2.24 4.40 0.00 -1.26 -1.31 105.19 116.54 1jrb n GLY 249 Ca -0.23 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1jrb n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrb n GLY 250 N 0.00 0.82 3.61 -0.02 0.00 -1.25 -4.56 105.19 103.79 1jrb n GLY 250 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1jrb n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrb s ILE 251 N -2.36 4.93 0.00 -0.61 1.01 -1.26 -4.76 121.20 118.16 1jrb s ILE 251 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1jrb s ILE 251 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1jrb s ILE 251 CO 0.00 -0.10 0.00 1.21 0.00 0.00 0.00 174.94 176.05 1jrb n GLU 252 N 5.87 0.96 -4.42 2.79 2.13 -1.26 -4.57 120.64 122.14 1jrb n GLU 252 Ca -0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.57 1jrb n GLU 252 Cb 0.49 -0.68 -0.09 0.00 0.27 0.00 0.00 31.44 31.42 1jrb n GLU 252 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jrb s THR 253 N -1.36 2.62 0.27 6.31 -4.23 -1.26 -4.89 115.64 113.10 1jrb s THR 253 Ca 0.00 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1jrb s THR 253 Cb 0.00 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.49 1jrb s THR 253 CO 0.00 -0.30 1.72 1.23 -0.54 0.00 0.00 174.62 176.73 1jrb h GLY 254 N 2.03 1.32 1.08 3.99 0.00 -1.86 -1.43 103.07 108.19 1jrb h GLY 254 Ca -0.42 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1jrb h GLY 254 CO 0.64 -0.15 0.41 -1.61 0.00 0.00 0.00 176.54 175.83 1jrb h GLN 255 N 0.45 1.20 -0.55 4.80 4.15 -1.94 0.25 115.11 123.46 1jrb h GLN 255 Ca 0.48 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 1jrb h GLN 255 Cb 0.79 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1jrb h GLN 255 CO -0.45 0.91 0.23 -0.44 -1.93 0.00 0.00 178.83 177.15 1jrb h ASP 256 N 1.19 0.75 -0.17 -0.69 3.32 -1.71 -0.29 116.42 118.82 1jrb h ASP 256 Ca 0.29 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1jrb h ASP 256 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1jrb h ASP 256 CO -0.04 0.70 0.03 0.00 -1.72 0.00 0.00 179.24 178.21 1jrb h ALA 257 N 1.08 0.22 -0.60 3.45 0.00 -0.80 -2.46 119.26 120.14 1jrb h ALA 257 Ca 0.19 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1jrb h ALA 257 Cb 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.79 1jrb h ALA 257 CO -0.02 -0.11 -0.15 0.35 0.00 0.00 0.00 179.25 179.32 1jrb h PHE 258 N 0.06 -0.32 -0.58 0.00 3.57 -0.28 -1.11 116.94 118.27 1jrb h PHE 258 Ca 0.05 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1jrb h PHE 258 Cb 0.31 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1jrb h PHE 258 CO 0.02 -0.26 0.33 0.93 -2.23 0.00 0.00 178.31 177.10 1jrb h GLU 259 N -0.00 0.63 -0.90 1.11 5.08 -0.93 0.43 114.58 119.99 1jrb h GLU 259 Ca 0.29 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1jrb h GLU 259 Cb 0.44 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1jrb h GLU 259 CO -0.62 0.42 0.49 0.45 -1.00 0.00 0.00 179.01 178.74 1jrb h HIS 260 N 0.65 1.25 -0.24 4.33 3.86 -0.94 -2.31 115.15 121.75 1jrb h HIS 260 Ca 0.24 -0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.28 1jrb h HIS 260 Cb 0.08 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 1jrb h HIS 260 CO -0.07 0.86 -0.40 -0.07 0.86 0.00 0.00 177.93 179.11 1jrb h LEU 261 N 1.27 0.77 -1.39 2.43 3.38 -0.92 -0.84 115.31 120.00 1jrb h LEU 261 Ca 0.32 -0.53 0.21 0.00 0.09 0.00 0.00 57.88 57.97 1jrb h LEU 261 Cb 0.03 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 1jrb h LEU 261 CO -0.05 1.15 0.62 0.25 0.09 0.00 0.00 178.44 180.50 1jrb h LEU 262 N 0.41 0.48 -1.04 1.67 5.85 -0.83 0.13 115.31 121.99 1jrb h LEU 262 Ca 0.02 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1jrb h LEU 262 Cb 1.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1jrb h LEU 262 CO 0.09 0.17 -0.25 0.00 -0.34 0.00 0.00 178.44 178.11 1jrb n GLY 264 N 0.21 0.48 3.77 0.00 0.00 -0.53 -4.27 105.19 104.84 1jrb n GLY 264 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1jrb n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrb s ALA 265 N -0.88 2.97 -0.26 4.61 0.00 -0.36 -4.62 121.76 123.22 1jrb s ALA 265 Ca 0.00 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1jrb s ALA 265 Cb 0.00 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1jrb s ALA 265 CO 0.00 -0.79 -0.24 2.41 0.00 0.00 0.00 175.76 177.13 1jrb n THR 266 N -0.51 1.53 -4.07 0.00 -1.04 0.33 -4.52 114.28 105.99 1jrb n THR 266 Ca 0.07 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.05 61.45 1jrb n THR 266 Cb 0.47 -1.79 -0.04 0.00 -1.82 0.00 0.00 70.33 67.15 1jrb n THR 266 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jrb s MET 267 N -2.50 3.04 0.02 -2.82 -1.94 -1.14 -4.75 119.30 109.22 1jrb s MET 267 Ca -0.36 -0.95 0.06 0.00 -1.71 0.00 0.00 55.69 52.73 1jrb s MET 267 Cb 0.12 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 1jrb s MET 267 CO 0.54 0.43 -0.18 -0.51 -0.01 0.00 0.00 175.02 175.28 1jrb s LEU 268 N -3.72 2.12 0.10 -0.03 1.43 0.42 -1.21 118.68 117.80 1jrb s LEU 268 Ca 0.33 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1jrb s LEU 268 Cb -0.09 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1jrb s LEU 268 CO 0.26 0.16 -0.24 -1.10 0.23 0.00 0.00 176.35 175.66 1jrb s GLN 269 N -0.91 1.31 -0.17 1.70 -0.21 0.05 -1.29 119.66 120.14 1jrb s GLN 269 Ca 0.06 -1.21 0.01 0.00 0.02 0.00 0.00 55.36 54.24 1jrb s GLN 269 Cb -0.08 -1.64 0.02 0.00 1.00 0.00 0.00 33.01 32.31 1jrb s GLN 269 CO 0.01 0.39 -0.17 0.42 -2.12 0.00 0.00 175.29 173.82 1jrb s ILE 270 N -1.06 1.88 0.00 1.08 1.01 -0.32 -4.17 121.20 119.62 1jrb s ILE 270 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1jrb s ILE 270 Cb -0.10 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1jrb s ILE 270 CO 0.04 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1jrb n GLY 271 N 4.67 -0.01 0.34 6.18 0.00 -1.26 -0.68 105.19 114.42 1jrb n GLY 271 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1jrb n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jrb h THR 272 N 0.00 0.14 -0.44 2.61 2.02 -1.95 -0.38 112.91 114.91 1jrb h THR 272 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jrb h THR 272 Cb 0.00 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 1jrb h THR 272 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 1jrb h ALA 273 N 1.44 1.66 -0.01 6.16 0.00 -1.90 -1.47 119.26 125.13 1jrb h ALA 273 Ca 0.33 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1jrb h ALA 273 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1jrb h ALA 273 CO -0.82 0.31 -0.85 1.25 0.00 0.00 0.00 179.25 179.14 1jrb h LEU 274 N 0.60 0.35 -0.18 0.00 5.85 -1.36 -0.43 115.31 120.12 1jrb h LEU 274 Ca 0.16 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1jrb h LEU 274 Cb -0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1jrb h LEU 274 CO -0.03 1.05 0.12 -0.74 -0.34 0.00 0.00 178.44 178.49 1jrb h HIS 275 N 0.16 0.23 -0.58 1.25 2.76 -0.29 0.24 115.15 118.92 1jrb h HIS 275 Ca -0.05 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 1jrb h HIS 275 Cb 1.46 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 1jrb h HIS 275 CO 0.04 0.15 0.00 0.87 -1.30 0.00 0.00 177.93 177.69 1jrb h LYS 276 N 0.25 1.02 0.00 5.26 1.57 -1.30 -3.37 116.57 119.99 1jrb h LYS 276 Ca 0.07 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1jrb h LYS 276 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1jrb h LYS 276 CO -0.01 1.01 -1.79 -1.91 -0.57 0.00 0.00 179.45 176.18 1jrb n GLU 277 N -4.22 0.63 -0.12 3.15 2.13 -0.18 -5.10 120.64 116.93 1jrb n GLU 277 Ca 0.02 -0.13 0.02 0.00 0.66 0.00 0.00 57.16 57.73 1jrb n GLU 277 Cb 0.34 -1.39 -0.00 0.00 0.27 0.00 0.00 31.44 30.66 1jrb n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jrb n GLY 278 N 1.64 -1.42 0.10 8.31 0.00 0.83 -4.50 105.19 110.15 1jrb n GLY 278 Ca -0.06 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.56 1jrb n GLY 278 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jrb n PRO 279 N -1.47 0.14 0.17 1.61 -0.02 -1.26 -1.15 135.00 133.02 1jrb n PRO 279 Ca 0.00 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1jrb n PRO 279 Cb 0.05 -1.79 0.60 0.00 -0.02 0.00 0.00 33.50 32.34 1jrb n PRO 279 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrb h ALA 280 N 2.25 1.00 -0.91 3.55 0.00 -1.97 -2.26 119.26 120.92 1jrb h ALA 280 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1jrb h ALA 280 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1jrb h ALA 280 CO 0.00 0.00 0.59 0.97 0.00 0.00 0.00 179.25 180.81 1jrb h ILE 281 N 0.00 1.03 -0.68 0.00 2.10 -1.39 -2.89 117.51 115.68 1jrb h ILE 281 Ca 0.00 -0.34 0.02 0.00 1.08 0.00 0.00 64.86 65.62 1jrb h ILE 281 Cb 0.05 -0.04 -0.04 0.00 -1.09 0.00 0.00 36.82 35.70 1jrb h ILE 281 CO 0.00 0.18 0.44 -0.26 -1.08 0.00 0.00 178.15 177.43 1jrb h PHE 282 N 0.98 0.84 -0.49 2.19 0.04 -1.66 -0.79 116.94 118.05 1jrb h PHE 282 Ca 0.40 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 1jrb h PHE 282 Cb 0.28 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1jrb h PHE 282 CO -0.00 0.51 0.29 0.22 -0.60 0.00 0.00 178.31 178.73 1jrb h ASP 283 N 0.89 0.58 0.07 2.17 3.58 -1.71 -1.04 116.42 120.96 1jrb h ASP 283 Ca 0.26 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1jrb h ASP 283 Cb -0.06 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.84 1jrb h ASP 283 CO -0.07 0.47 -0.03 -0.09 -2.88 0.00 0.00 179.24 176.63 1jrb h ARG 284 N 0.65 -0.09 -0.00 0.28 2.43 -1.28 -2.68 114.38 113.70 1jrb h ARG 284 Ca 0.17 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.18 1jrb h ARG 284 Cb -0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1jrb h ARG 284 CO -0.03 0.04 -0.78 0.97 -1.51 0.00 0.00 179.97 178.66 1jrb h ILE 285 N -0.20 1.54 -0.26 1.20 2.10 -1.06 -1.14 117.51 119.69 1jrb h ILE 285 Ca -0.01 -2.61 0.03 0.00 1.08 0.00 0.00 64.86 63.34 1jrb h ILE 285 Cb 0.17 2.41 -0.03 0.00 -1.09 0.00 0.00 36.82 38.29 1jrb h ILE 285 CO 0.02 0.75 0.10 0.40 -1.08 0.00 0.00 178.15 178.33 1jrb h ILE 286 N 0.02 0.94 -0.89 2.19 2.04 -1.21 -0.21 117.51 120.40 1jrb h ILE 286 Ca -0.01 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1jrb h ILE 286 Cb 1.37 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1jrb h ILE 286 CO 0.10 0.04 0.49 0.11 0.00 0.00 0.00 178.15 178.89 1jrb h LYS 287 N 0.22 1.24 -0.03 2.37 1.57 -1.12 0.70 116.57 121.52 1jrb h LYS 287 Ca 0.12 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1jrb h LYS 287 Cb 0.08 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1jrb h LYS 287 CO -0.11 0.90 0.01 0.93 -0.57 0.00 0.00 179.45 180.61 1jrb h GLU 288 N 1.24 0.03 -0.38 3.15 5.08 -0.96 -0.57 114.58 122.16 1jrb h GLU 288 Ca 0.31 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1jrb h GLU 288 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1jrb h GLU 288 CO -0.05 0.02 0.25 1.25 -1.00 0.00 0.00 179.01 179.48 1jrb h LEU 289 N 0.03 0.45 -1.35 1.33 5.85 -0.75 -2.14 115.31 118.74 1jrb h LEU 289 Ca 0.01 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.84 1jrb h LEU 289 Cb 0.00 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1jrb h LEU 289 CO -0.01 0.34 0.55 -0.33 -0.34 0.00 0.00 178.44 178.65 1jrb h GLU 290 N 0.52 0.63 -0.33 1.25 5.08 -0.75 -0.39 114.58 120.59 1jrb h GLU 290 Ca 0.14 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1jrb h GLU 290 Cb -0.04 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1jrb h GLU 290 CO -0.03 0.42 -0.37 1.49 -1.00 0.00 0.00 179.01 179.51 1jrb h GLU 291 N 0.65 0.83 -0.02 2.33 4.57 -0.56 0.10 114.58 122.48 1jrb h GLU 291 Ca 0.42 -0.46 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1jrb h GLU 291 Cb 0.70 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1jrb h GLU 291 CO -0.18 1.09 -0.06 0.82 -1.18 0.00 0.00 179.01 179.50 1jrb h ILE 292 N 0.61 0.83 -0.35 2.32 2.04 -0.95 -1.39 117.51 120.62 1jrb h ILE 292 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1jrb h ILE 292 Cb 0.96 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1jrb h ILE 292 CO 0.09 0.00 0.13 0.24 0.00 0.00 0.00 178.15 178.61 1jrb h MET 293 N -0.10 0.27 -0.83 2.37 2.86 -0.83 -2.14 114.93 116.53 1jrb h MET 293 Ca 0.03 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1jrb h MET 293 Cb 0.14 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 1jrb h MET 293 CO -0.08 0.18 0.48 -0.91 1.06 0.00 0.00 176.91 177.64 1jrb h ASN 294 N 0.28 0.72 0.18 1.22 2.35 -0.61 -0.15 115.58 119.57 1jrb h ASN 294 Ca 0.16 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1jrb h ASN 294 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1jrb h ASN 294 CO -0.16 0.43 -0.25 1.56 -1.65 0.00 0.00 177.43 177.36 1jrb h GLN 295 N 0.84 0.13 -0.01 0.81 1.08 -0.89 -2.41 115.11 114.65 1jrb h GLN 295 Ca 0.39 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1jrb h GLN 295 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1jrb h GLN 295 CO -0.22 0.37 -0.08 1.63 -0.95 0.00 0.00 178.83 179.58 1jrb n LYS 296 N -4.20 1.28 -1.43 1.46 5.02 -0.72 -4.94 118.16 114.63 1jrb n LYS 296 Ca -0.01 -0.68 -0.05 0.00 -2.02 0.00 0.00 58.31 55.54 1jrb n LYS 296 Cb 0.33 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1jrb n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jrb n GLY 297 N 1.22 0.60 3.74 0.72 0.00 -0.73 -5.03 105.19 105.71 1jrb n GLY 297 Ca 0.17 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1jrb n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jrb s TYR 298 N -2.22 3.53 -0.71 1.61 2.02 -0.15 -4.96 117.35 116.48 1jrb s TYR 298 Ca 0.00 0.85 0.10 0.00 -0.37 0.00 0.00 57.07 57.65 1jrb s TYR 298 Cb 0.00 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.02 1jrb s TYR 298 CO 0.00 0.24 0.54 1.04 -1.57 0.00 0.00 175.55 175.80 1jrb n GLN 299 N 3.41 2.90 -3.79 -0.62 6.02 -1.26 -4.09 117.38 119.95 1jrb n GLN 299 Ca -0.09 -0.29 -0.11 0.00 -0.01 0.00 0.00 57.00 56.50 1jrb n GLN 299 Cb 0.52 -1.04 -0.07 0.00 1.02 0.00 0.00 30.24 30.67 1jrb n GLN 299 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jrb s SER 300 N -1.71 -0.05 0.46 1.08 1.04 -1.26 -4.53 113.70 108.73 1jrb s SER 300 Ca 0.06 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.29 1jrb s SER 300 Cb 0.08 0.34 1.03 0.00 0.10 0.00 0.00 66.02 67.58 1jrb s SER 300 CO 0.35 -0.63 2.06 0.40 0.98 0.00 0.00 173.24 176.39 1jrb h ILE 301 N 3.15 1.08 -0.06 -1.02 2.04 -1.85 -1.29 117.51 119.55 1jrb h ILE 301 Ca -0.32 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1jrb h ILE 301 Cb 1.20 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1jrb h ILE 301 CO 0.48 0.10 0.14 0.00 0.00 0.00 0.00 178.15 178.87 1jrb h ALA 302 N 1.84 1.42 -0.07 1.87 0.00 -1.93 -0.07 119.26 122.32 1jrb h ALA 302 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jrb h ALA 302 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jrb h ALA 302 CO -0.00 -0.17 0.08 -0.44 0.00 0.00 0.00 179.25 178.72 1jrb h ASP 303 N 0.00 0.00 0.00 0.00 3.32 -1.65 -3.32 116.42 114.77 1jrb h ASP 303 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1jrb h ASP 303 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1jrb h ASP 303 CO -0.00 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.74 1jrb n PHE 304 N -3.83 0.00 -1.66 4.55 -1.74 -0.49 -5.01 117.46 109.28 1jrb n PHE 304 Ca -0.01 0.00 -0.50 0.00 -0.56 0.00 0.00 57.45 56.38 1jrb n PHE 304 Cb 0.17 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.12 1jrb n PHE 304 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1jrb n HIS 305 N -0.00 2.09 -0.89 2.97 -0.00 -0.16 -1.38 115.22 117.85 1jrb n HIS 305 Ca 0.00 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1jrb n HIS 305 Cb 0.16 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.51 1jrb n HIS 305 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jrb n GLY 306 N 3.60 0.19 1.50 1.57 0.00 0.36 -4.90 105.19 107.51 1jrb n GLY 306 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1jrb n GLY 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrb n LYS 307 N -0.70 2.98 -1.67 1.61 5.02 -0.48 -4.75 118.16 120.17 1jrb n LYS 307 Ca 0.00 -1.97 -0.48 0.00 -2.02 0.00 0.00 58.31 53.84 1jrb n LYS 307 Cb 0.25 -1.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 1jrb n LYS 307 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jrb n LEU 308 N 0.12 3.07 -4.78 -0.35 7.94 -0.84 -4.95 117.00 117.21 1jrb n LEU 308 Ca 0.24 1.05 -0.39 0.00 -1.11 0.00 0.00 56.01 55.80 1jrb n LEU 308 Cb 0.97 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.49 1jrb n LEU 308 CO 0.26 -0.27 0.26 -0.54 -1.11 0.00 0.00 177.39 175.99 1jrb s LYS 309 N 2.16 4.26 0.63 1.96 1.02 -1.26 -5.05 119.74 123.45 1jrb s LYS 309 Ca 0.85 0.69 -0.09 0.00 0.02 0.00 0.00 55.97 57.44 1jrb s LYS 309 Cb -0.73 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.27 1jrb s LYS 309 CO 0.45 0.45 1.00 -1.12 -0.92 0.00 0.00 175.35 175.21 1jrb s SER 310 N -0.46 5.80 0.00 2.83 0.01 -1.26 -5.24 113.70 115.39 1jrb s SER 310 Ca 0.30 1.09 0.27 0.00 1.31 0.00 0.00 55.95 58.92 1jrb s SER 310 Cb -0.18 -2.07 0.88 0.00 0.21 0.00 0.00 66.02 64.85 1jrb s SER 310 CO 0.17 -1.05 1.65 0.18 0.41 0.00 0.00 173.24 174.60