#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brj s VAL 16 N 0.00 5.30 -0.25 3.15 1.01 -1.26 -4.44 120.40 123.92 2brj s VAL 16 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2brj s VAL 16 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2brj s VAL 16 CO 0.00 0.37 -0.01 -1.10 0.00 0.00 0.00 175.10 174.36 2brj s GLN 17 N 0.60 3.18 0.11 2.72 -0.21 0.16 -4.91 119.66 121.31 2brj s GLN 17 Ca 0.16 -0.76 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 2brj s GLN 17 Cb -0.13 -3.11 -0.06 0.00 1.00 0.00 0.00 33.01 30.71 2brj s GLN 17 CO 0.04 -0.31 1.10 -1.21 -2.12 0.00 0.00 175.29 172.79 2brj s GLU 18 N 1.45 4.55 -0.08 2.91 2.02 -1.26 -1.27 118.70 127.02 2brj s GLU 18 Ca 0.04 1.66 -0.01 0.00 0.02 0.00 0.00 54.97 56.67 2brj s GLU 18 Cb -0.16 -3.34 0.03 0.00 0.10 0.00 0.00 34.13 30.76 2brj s GLU 18 CO -0.02 -0.03 -0.02 -1.17 0.02 0.00 0.00 175.26 174.04 2brj s LEU 19 N 0.33 0.78 0.03 1.80 2.96 -0.54 -4.98 118.68 119.06 2brj s LEU 19 Ca 0.52 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2brj s LEU 19 Cb -0.27 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 2brj s LEU 19 CO 0.31 -0.17 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.65 2brj s SER 20 N 1.86 4.50 0.04 3.68 0.01 -1.26 -0.03 113.70 122.51 2brj s SER 20 Ca 0.04 -0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2brj s SER 20 Cb -0.12 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 2brj s SER 20 CO -0.06 0.26 0.11 0.68 0.41 0.00 0.00 173.24 174.64 2brj s VAL 21 N -1.03 0.13 -0.15 3.43 -7.23 -0.64 -1.42 120.40 113.49 2brj s VAL 21 Ca 0.18 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 2brj s VAL 21 Cb -0.11 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2brj s VAL 21 CO 0.09 -0.61 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.94 2brj s TYR 22 N -2.72 3.07 -0.22 2.82 2.02 -0.39 -1.03 117.35 120.91 2brj s TYR 22 Ca -0.04 -0.20 -0.07 0.00 -0.37 0.00 0.00 57.07 56.39 2brj s TYR 22 Cb -0.00 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2brj s TYR 22 CO -0.05 0.03 0.05 -2.00 -1.57 0.00 0.00 175.55 172.01 2brj s GLU 23 N 0.27 3.71 -0.07 -0.62 2.12 0.13 -0.77 118.70 123.47 2brj s GLU 23 Ca -0.02 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.86 2brj s GLU 23 Cb -0.14 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.05 2brj s GLU 23 CO 0.02 -0.03 -0.11 0.42 -0.54 0.00 0.00 175.26 175.03 2brj s ILE 24 N 1.16 1.05 -0.54 -3.70 1.01 -0.07 -1.05 121.20 119.07 2brj s ILE 24 Ca 0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 2brj s ILE 24 Cb -0.14 -0.98 0.05 0.00 0.01 0.00 0.00 42.46 41.39 2brj s ILE 24 CO 0.03 0.34 0.84 0.21 0.00 0.00 0.00 174.94 176.36 2brj s ASN 25 N 0.80 6.30 -0.03 3.58 3.84 -0.22 -1.37 114.94 127.83 2brj s ASN 25 Ca -0.12 -0.56 0.15 0.00 0.21 0.00 0.00 52.86 52.54 2brj s ASN 25 Cb -0.15 -2.39 0.49 0.00 -0.55 0.00 0.00 41.25 38.65 2brj s ASN 25 CO 0.02 -1.13 1.40 -0.62 -2.79 0.00 0.00 177.10 173.98 2brj n GLU 26 N 7.06 2.53 -1.12 0.43 1.02 -1.26 -4.88 120.64 124.41 2brj n GLU 26 Ca -0.01 -1.99 -0.04 0.00 -0.02 0.00 0.00 57.16 55.10 2brj n GLU 26 Cb 0.47 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 2brj n GLU 26 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2brj n LEU 27 N 0.95 -0.07 -0.12 -4.62 4.77 -1.26 -4.86 117.00 111.79 2brj n LEU 27 Ca 0.18 0.11 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 2brj n LEU 27 Cb 0.54 -1.47 0.11 0.00 -2.33 0.00 0.00 43.42 40.26 2brj n LEU 27 CO 0.14 -0.47 0.56 -0.90 -1.33 0.00 0.00 177.39 175.39 2brj n ASP 28 N -0.02 2.37 -0.24 -1.43 5.75 -1.26 -4.58 116.55 117.13 2brj n ASP 28 Ca -0.04 -2.73 0.07 0.00 -0.01 0.00 0.00 54.79 52.08 2brj n ASP 28 Cb 0.26 -0.30 0.10 0.00 -1.03 0.00 0.00 41.12 40.15 2brj n ASP 28 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2brj n ARG 29 N -1.04 0.93 -1.76 0.11 1.74 -1.26 -4.98 116.66 110.40 2brj n ARG 29 Ca 0.11 -2.18 -0.17 0.00 -0.77 0.00 0.00 57.85 54.84 2brj n ARG 29 Cb 0.53 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.71 2brj n ARG 29 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2brj n HIS 30 N -1.00 -0.26 -4.85 -1.55 8.25 -1.26 -4.86 115.22 109.69 2brj n HIS 30 Ca 0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2brj n HIS 30 Cb 0.67 -3.10 -0.15 0.00 1.12 0.00 0.00 29.99 28.54 2brj n HIS 30 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2brj s SER 31 N -2.63 2.86 0.65 0.41 0.15 -1.26 -4.13 113.70 109.74 2brj s SER 31 Ca 0.00 -0.54 -0.11 0.00 0.70 0.00 0.00 55.95 56.00 2brj s SER 31 Cb 0.00 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 2brj s SER 31 CO 0.00 0.23 1.05 -2.16 1.20 0.00 0.00 173.24 173.56 2brj s PRO 32 N -1.12 3.34 -0.27 5.44 0.04 -1.26 -4.81 135.00 136.36 2brj s PRO 32 Ca 0.10 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 2brj s PRO 32 Cb -0.09 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2brj s PRO 32 CO 0.02 -0.75 0.02 0.21 0.04 0.00 0.00 177.00 176.54 2brj s LYS 33 N -5.21 3.05 -0.23 4.56 2.47 -0.82 -5.05 119.74 118.51 2brj s LYS 33 Ca 0.56 -0.86 -0.18 0.00 -1.56 0.00 0.00 55.97 53.93 2brj s LYS 33 Cb -0.11 -3.22 -0.03 0.00 -1.46 0.00 0.00 37.83 33.01 2brj s LYS 33 CO 0.54 -0.40 0.50 0.42 0.16 0.00 0.00 175.35 176.57 2brj s ILE 34 N 1.45 5.10 -0.45 5.43 1.01 -1.26 -3.35 121.20 129.12 2brj s ILE 34 Ca 0.02 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.44 2brj s ILE 34 Cb -0.17 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.57 2brj s ILE 34 CO -0.00 0.14 0.33 -0.76 0.00 0.00 0.00 174.94 174.65 2brj s LEU 35 N 1.95 5.46 -0.23 2.97 1.43 0.30 -5.01 118.68 125.55 2brj s LEU 35 Ca 0.22 -1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 51.61 2brj s LEU 35 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2brj s LEU 35 CO 0.09 -0.62 0.53 -0.75 0.23 0.00 0.00 176.35 175.83 2brj s LYS 36 N 1.50 4.13 0.00 1.70 2.47 -1.26 -1.48 119.74 126.80 2brj s LYS 36 Ca 0.04 0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.83 2brj s LYS 36 Cb -0.24 -3.61 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 2brj s LYS 36 CO 0.03 -0.27 0.00 0.09 0.16 0.00 0.00 175.35 175.36 2brj n ASN 37 N 5.22 1.18 -4.77 1.43 3.02 -1.26 -4.97 115.26 115.11 2brj n ASN 37 Ca -0.04 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.10 2brj n ASN 37 Cb 0.50 0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 2brj n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2brj s ALA 38 N -0.50 3.36 -1.46 5.41 0.00 -1.26 -4.87 121.76 122.44 2brj s ALA 38 Ca 0.00 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2brj s ALA 38 Cb 0.00 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.76 2brj s ALA 38 CO 0.00 -0.44 2.38 1.19 0.00 0.00 0.00 175.76 178.90 2brj n PHE 39 N 0.71 3.02 -3.56 0.00 3.72 -1.26 -4.84 117.46 115.25 2brj n PHE 39 Ca 0.01 -2.96 -0.17 0.00 -0.05 0.00 0.00 57.45 54.28 2brj n PHE 39 Cb 0.44 -2.35 -0.06 0.00 -0.94 0.00 0.00 39.48 36.57 2brj n PHE 39 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2brj s SER 40 N 2.18 -0.62 0.00 4.37 0.15 -1.26 -5.13 113.70 113.38 2brj s SER 40 Ca 0.53 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2brj s SER 40 Cb 0.15 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2brj s SER 40 CO -0.06 -0.55 0.64 0.18 1.20 0.00 0.00 173.24 174.64 2brj n LEU 41 N 1.15 1.91 -4.82 3.45 4.77 -1.26 -4.92 117.00 117.27 2brj n LEU 41 Ca -0.19 -0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 54.48 2brj n LEU 41 Cb 0.57 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2brj n LEU 41 CO 0.22 0.32 0.32 -0.36 -1.33 0.00 0.00 177.39 176.56 2brj s PHE 43 N 0.38 3.68 0.27 -1.77 0.08 -1.26 -5.21 117.98 114.14 2brj s PHE 43 Ca 0.00 1.25 -0.16 0.00 0.12 0.00 0.00 56.93 58.15 2brj s PHE 43 Cb 0.00 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.95 2brj s PHE 43 CO 0.00 0.43 0.58 0.20 -0.10 0.00 0.00 175.22 176.33 2brj s GLY 44 N -1.55 0.32 0.22 4.36 0.00 -1.26 -3.82 107.32 105.60 2brj s GLY 44 Ca 0.38 -0.68 -0.32 0.00 0.00 0.00 0.00 44.72 44.10 2brj s GLY 44 CO 0.20 -0.43 1.43 -0.10 0.00 0.00 0.00 173.10 174.20 2brj n LEU 45 N -0.42 3.06 0.00 0.66 7.94 -1.26 -1.47 117.00 125.51 2brj n LEU 45 Ca -0.03 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2brj n LEU 45 Cb 0.61 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2brj n LEU 45 CO 0.20 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 2brj n GLY 46 N 2.35 1.80 3.73 -3.96 0.00 -1.26 -4.15 105.19 103.70 2brj n GLY 46 Ca 0.13 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2brj n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2brj s ASP 47 N -0.06 7.21 -0.02 1.61 1.01 -0.54 -4.08 116.67 121.79 2brj s ASP 47 Ca 0.00 2.01 0.07 0.00 0.71 0.00 0.00 52.55 55.34 2brj s ASP 47 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2brj s ASP 47 CO 0.00 -0.32 -0.22 -0.76 0.21 0.00 0.00 175.17 174.08 2brj s LEU 48 N 0.32 2.04 -0.47 1.23 1.43 -0.55 -1.69 118.68 120.99 2brj s LEU 48 Ca 0.53 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2brj s LEU 48 Cb -0.28 -1.15 0.15 0.00 0.03 0.00 0.00 46.19 44.93 2brj s LEU 48 CO 0.32 0.27 0.30 -0.69 0.23 0.00 0.00 176.35 176.78 2brj s VAL 49 N -0.48 1.25 0.42 -1.59 1.01 0.50 -0.54 120.40 120.97 2brj s VAL 49 Ca 0.07 -2.75 -0.26 0.00 0.00 0.00 0.00 61.98 59.04 2brj s VAL 49 Cb -0.09 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 2brj s VAL 49 CO -0.00 -1.00 1.39 -2.84 0.00 0.00 0.00 175.10 172.64 2brj s PRO 50 N 0.08 3.89 0.09 2.72 0.02 -1.21 -1.22 135.00 139.37 2brj s PRO 50 Ca 0.22 2.35 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 2brj s PRO 50 Cb -0.15 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.63 2brj s PRO 50 CO -0.07 -0.62 0.33 -0.59 -0.33 0.00 0.00 177.00 175.72 2brj s PHE 51 N -1.20 -0.10 -0.27 6.54 -0.12 -0.46 -1.94 117.98 120.43 2brj s PHE 51 Ca 0.57 -0.17 -0.08 0.00 -0.05 0.00 0.00 56.93 57.20 2brj s PHE 51 Cb -0.42 0.13 0.12 0.00 -0.63 0.00 0.00 43.02 42.22 2brj s PHE 51 CO 0.55 -0.60 0.57 -0.08 -0.05 0.00 0.00 175.22 175.61 2brj s THR 52 N -3.35 -0.88 0.41 -4.49 -1.32 -1.26 -1.90 115.64 102.85 2brj s THR 52 Ca 0.00 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.61 2brj s THR 52 Cb 0.02 -0.89 -0.07 0.00 -1.51 0.00 0.00 72.50 70.05 2brj s THR 52 CO -0.08 0.02 0.08 0.20 -2.21 0.00 0.00 174.62 172.62 2brj s ASN 53 N 2.80 4.10 0.42 8.08 0.01 -1.14 -4.72 114.94 124.49 2brj s ASN 53 Ca -0.03 -1.26 -0.17 0.00 -0.71 0.00 0.00 52.86 50.70 2brj s ASN 53 Cb -0.12 -0.41 -0.09 0.00 0.41 0.00 0.00 41.25 41.03 2brj s ASN 53 CO -0.17 -0.50 0.88 -0.54 -1.51 0.00 0.00 177.10 175.27 2brj s LYS 54 N -3.79 4.04 -0.09 -0.60 1.02 -0.47 -0.76 119.74 119.09 2brj s LYS 54 Ca 0.37 0.88 0.02 0.00 0.02 0.00 0.00 55.97 57.26 2brj s LYS 54 Cb 0.07 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.14 2brj s LYS 54 CO 0.20 -0.05 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.27 2brj s LEU 55 N -3.45 1.68 0.25 3.17 2.96 -0.15 -0.89 118.68 122.26 2brj s LEU 55 Ca 0.58 -0.37 0.12 0.00 -0.22 0.00 0.00 54.13 54.23 2brj s LEU 55 Cb -0.10 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.56 2brj s LEU 55 CO 0.21 0.03 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.75 2brj s TYR 56 N 0.84 2.28 0.89 5.38 2.02 0.06 -0.97 117.35 127.84 2brj s TYR 56 Ca -0.10 -0.34 -0.10 0.00 -0.37 0.00 0.00 57.07 56.15 2brj s TYR 56 Cb -0.15 -1.03 0.13 0.00 -0.40 0.00 0.00 41.96 40.50 2brj s TYR 56 CO 0.01 0.64 1.13 0.95 -1.57 0.00 0.00 175.55 176.71 2brj s THR 57 N -2.27 2.41 0.46 -0.71 -4.23 -0.17 -1.26 115.64 109.88 2brj s THR 57 Ca 0.27 0.13 0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2brj s THR 57 Cb -0.06 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.72 2brj s THR 57 CO 0.13 -0.17 2.05 1.23 -0.54 0.00 0.00 174.62 177.32 2brj h GLY 58 N -1.70 0.14 -0.02 3.99 0.00 -1.51 -0.01 103.07 103.96 2brj h GLY 58 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2brj h GLY 58 CO 0.45 0.06 0.00 2.09 0.00 0.00 0.00 176.54 179.14 2brj n ASP 59 N -4.43 0.83 0.00 0.19 5.68 -1.26 -0.96 116.55 116.60 2brj n ASP 59 Ca -0.02 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 2brj n ASP 59 Cb 0.16 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2brj n ASP 59 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2brj n LEU 60 N -0.27 0.78 0.14 -2.12 4.77 -0.02 -4.68 117.00 115.60 2brj n LEU 60 Ca 0.17 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2brj n LEU 60 Cb 0.21 -2.01 0.02 0.00 -2.33 0.00 0.00 43.42 39.32 2brj n LEU 60 CO 0.13 -0.76 0.45 0.11 -1.33 0.00 0.00 177.39 176.00 2brj h LYS 61 N 0.25 0.00 -4.19 3.23 1.57 -1.92 0.08 116.57 115.59 2brj h LYS 61 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2brj h LYS 61 Cb 0.73 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.77 2brj h LYS 61 CO 0.00 0.50 -0.74 0.15 -0.57 0.00 0.00 179.45 178.79 2brj s LYS 62 N -2.96 0.33 -0.10 3.15 1.02 -1.26 -4.32 119.74 115.61 2brj s LYS 62 Ca 0.04 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 2brj s LYS 62 Cb 0.08 -0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 2brj s LYS 62 CO 0.75 0.07 1.16 0.50 -0.92 0.00 0.00 175.35 176.91 2brj s ARG 63 N -0.33 4.34 -0.21 1.68 6.06 0.57 -1.00 118.95 130.07 2brj s ARG 63 Ca -0.01 1.59 0.09 0.00 -2.50 0.00 0.00 55.73 54.90 2brj s ARG 63 Cb -0.03 -3.59 -0.19 0.00 0.06 0.00 0.00 34.95 31.20 2brj s ARG 63 CO -0.00 -0.47 -0.07 1.33 -2.50 0.00 0.00 175.30 173.58 2brj n VAL 64 N 4.77 1.29 0.00 7.11 0.24 -0.14 -1.74 118.33 129.86 2brj n VAL 64 Ca 0.11 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2brj n VAL 64 Cb 0.46 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 2brj n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2brj n GLY 65 N 2.13 -0.58 3.24 7.63 0.00 -1.00 -2.09 105.19 114.52 2brj n GLY 65 Ca -0.35 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 2brj n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2brj s ILE 66 N -0.54 0.12 0.22 -0.61 -4.36 -1.18 -0.97 121.20 113.89 2brj s ILE 66 Ca 0.00 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2brj s ILE 66 Cb 0.00 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.15 2brj s ILE 66 CO 0.00 -0.55 0.38 0.42 0.24 0.00 0.00 174.94 175.42 2brj s THR 67 N -3.90 5.24 -0.28 8.37 -4.23 0.06 -0.59 115.64 120.31 2brj s THR 67 Ca 0.09 -0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 59.79 2brj s THR 67 Cb 0.05 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.18 2brj s THR 67 CO -0.07 -0.26 0.65 0.00 -0.54 0.00 0.00 174.62 174.40 2brj s ALA 68 N -1.94 -1.85 0.00 3.99 0.00 -0.52 -2.89 121.76 118.55 2brj s ALA 68 Ca 0.36 2.32 0.00 0.00 0.00 0.00 0.00 51.96 54.65 2brj s ALA 68 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2brj s ALA 68 CO 0.30 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.94 2brj n GLY 69 N 4.65 -0.58 2.84 0.00 0.00 -0.80 -1.20 105.19 110.10 2brj n GLY 69 Ca -0.18 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 2brj n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2brj s LEU 70 N 0.00 1.14 -0.25 0.99 2.96 -0.47 -1.35 118.68 121.70 2brj s LEU 70 Ca 0.00 -0.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.74 2brj s LEU 70 Cb 0.00 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 2brj s LEU 70 CO 0.00 -0.10 0.15 0.00 -1.32 0.00 0.00 176.35 175.09 2brj s VAL 72 N 1.28 5.30 0.15 0.00 1.01 0.15 -0.37 120.40 127.91 2brj s VAL 72 Ca 0.07 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 2brj s VAL 72 Cb -0.14 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2brj s VAL 72 CO 0.06 0.16 1.38 -0.69 0.00 0.00 0.00 175.10 176.01 2brj s VAL 73 N 1.76 3.21 -0.25 2.92 1.01 -0.68 -0.53 120.40 127.84 2brj s VAL 73 Ca 0.07 0.91 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 2brj s VAL 73 Cb -0.16 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.51 2brj s VAL 73 CO 0.11 0.09 -0.28 -0.38 0.00 0.00 0.00 175.10 174.64 2brj n ILE 74 N 3.53 1.37 -3.54 2.22 2.08 0.01 -4.20 119.36 120.84 2brj n ILE 74 Ca 0.10 -0.42 -0.12 0.00 0.56 0.00 0.00 62.75 62.87 2brj n ILE 74 Cb 0.42 -1.64 -0.04 0.00 -0.75 0.00 0.00 39.64 37.63 2brj n ILE 74 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2brj s GLU 75 N -2.47 0.77 0.16 0.38 -1.05 -1.12 -4.04 118.70 111.33 2brj s GLU 75 Ca -0.34 0.04 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 2brj s GLU 75 Cb 0.11 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 2brj s GLU 75 CO 0.48 -0.27 0.79 -1.58 0.95 0.00 0.00 175.26 175.63 2brj s HIS 76 N -1.71 3.90 -0.64 4.83 5.65 -1.25 -1.29 115.29 124.78 2brj s HIS 76 Ca -0.02 1.64 0.03 0.00 0.25 0.00 0.00 55.06 56.96 2brj s HIS 76 Cb -0.01 -2.79 0.16 0.00 -1.18 0.00 0.00 32.58 28.76 2brj s HIS 76 CO 0.00 0.49 0.42 0.08 -0.65 0.00 0.00 174.74 175.08 2brj s VAL 77 N -1.05 3.02 0.38 0.89 1.01 0.67 -4.93 120.40 120.39 2brj s VAL 77 Ca 0.36 -3.67 0.06 0.00 0.00 0.00 0.00 61.98 58.73 2brj s VAL 77 Cb -0.23 -3.01 0.22 0.00 0.00 0.00 0.00 36.38 33.36 2brj s VAL 77 CO 0.26 -0.91 1.98 1.55 0.00 0.00 0.00 175.10 177.98 2brj h PRO 78 N 6.12 0.50 0.00 2.72 0.13 -1.97 -1.60 132.00 137.90 2brj h PRO 78 Ca 0.03 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2brj h PRO 78 Cb 0.84 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2brj h PRO 78 CO 0.72 0.43 0.00 1.05 -0.23 0.00 0.00 178.00 179.97 2brj h GLU 79 N 0.50 0.00 -0.02 0.86 9.09 -1.94 -2.30 114.58 120.78 2brj h GLU 79 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2brj h GLU 79 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2brj h GLU 79 CO -0.01 0.00 -0.02 1.63 0.05 0.00 0.00 179.01 180.66 2brj n LYS 80 N -2.48 1.02 -3.85 1.06 4.76 -0.73 -5.01 118.16 112.94 2brj n LYS 80 Ca 0.02 -1.31 -0.29 0.00 -2.87 0.00 0.00 58.31 53.86 2brj n LYS 80 Cb 0.25 -1.27 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 2brj n LYS 80 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2brj n LYS 81 N 0.74 -2.44 -1.35 1.97 5.02 -0.68 -4.83 118.16 116.59 2brj n LYS 81 Ca 0.08 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2brj n LYS 81 Cb 0.35 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 2brj n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2brj n GLY 82 N -1.86 1.35 3.28 0.72 0.00 -1.04 -4.85 105.19 102.80 2brj n GLY 82 Ca -0.22 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 2brj n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2brj s GLU 83 N -1.85 1.26 -0.25 1.61 0.41 -1.26 -0.24 118.70 118.38 2brj s GLU 83 Ca 0.00 -1.09 -0.10 0.00 -0.41 0.00 0.00 54.97 53.37 2brj s GLU 83 Cb 0.00 -1.48 -0.05 0.00 -1.78 0.00 0.00 34.13 30.82 2brj s GLU 83 CO 0.00 0.36 0.16 0.50 -0.49 0.00 0.00 175.26 175.79 2brj s ARG 84 N -1.63 3.99 0.17 1.61 3.52 -0.41 -1.61 118.95 124.59 2brj s ARG 84 Ca 0.07 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.43 2brj s ARG 84 Cb -0.10 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 2brj s ARG 84 CO 0.03 -0.03 0.03 -0.06 -0.81 0.00 0.00 175.30 174.47 2brj s PHE 85 N 1.29 2.93 -0.24 5.12 0.08 -0.02 -0.81 117.98 126.34 2brj s PHE 85 Ca 0.07 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.96 2brj s PHE 85 Cb -0.14 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2brj s PHE 85 CO 0.06 0.52 0.01 -2.00 -0.10 0.00 0.00 175.22 173.71 2brj s GLU 86 N -2.96 3.45 -0.06 0.44 2.56 0.31 -1.55 118.70 120.89 2brj s GLU 86 Ca 0.28 -0.59 0.03 0.00 0.00 0.00 0.00 54.97 54.69 2brj s GLU 86 Cb -0.10 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.85 2brj s GLU 86 CO 0.20 -0.22 -0.13 0.00 -0.56 0.00 0.00 175.26 174.55 2brj s ALA 87 N 1.53 2.70 -0.19 6.30 0.00 0.23 -0.67 121.76 131.65 2brj s ALA 87 Ca 0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 2brj s ALA 87 Cb -0.15 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.01 2brj s ALA 87 CO -0.00 0.53 0.01 0.99 0.00 0.00 0.00 175.76 177.29 2brj s THR 88 N -0.64 0.75 0.25 0.00 2.01 -0.69 -1.69 115.64 115.63 2brj s THR 88 Ca 0.09 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.23 2brj s THR 88 Cb -0.11 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.27 2brj s THR 88 CO 0.01 -0.13 0.79 -0.72 -0.69 0.00 0.00 174.62 173.88 2brj s TYR 89 N 1.76 -0.17 0.19 4.92 1.13 -1.06 -1.36 117.35 122.76 2brj s TYR 89 Ca -0.01 -0.26 0.09 0.00 -1.41 0.00 0.00 57.07 55.48 2brj s TYR 89 Cb -0.17 0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2brj s TYR 89 CO -0.07 -1.14 -0.19 -1.12 -2.51 0.00 0.00 175.55 170.52 2brj s SER 90 N -2.93 2.91 -0.19 -0.18 0.01 -0.34 -0.82 113.70 112.15 2brj s SER 90 Ca 0.12 -0.92 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 2brj s SER 90 Cb -0.05 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.00 2brj s SER 90 CO 0.06 -0.02 -0.13 -0.36 0.41 0.00 0.00 173.24 173.19 2brj s PHE 91 N -2.22 2.85 -0.16 2.43 0.08 0.32 -1.43 117.98 119.84 2brj s PHE 91 Ca 0.20 -1.30 -0.06 0.00 0.12 0.00 0.00 56.93 55.89 2brj s PHE 91 Cb -0.05 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2brj s PHE 91 CO 0.08 -0.67 0.03 0.71 -0.10 0.00 0.00 175.22 175.28 2brj s TYR 92 N 1.30 3.21 -0.43 0.36 2.02 0.24 -1.16 117.35 122.88 2brj s TYR 92 Ca 0.04 0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.85 2brj s TYR 92 Cb -0.14 -1.99 0.42 0.00 -0.40 0.00 0.00 41.96 39.85 2brj s TYR 92 CO -0.08 0.21 1.09 1.19 -1.57 0.00 0.00 175.55 176.40 2brj n PHE 93 N 3.19 3.20 -0.60 2.71 3.72 -0.35 -3.08 117.46 126.25 2brj n PHE 93 Ca -0.17 -3.09 0.00 0.00 -0.05 0.00 0.00 57.45 54.14 2brj n PHE 93 Cb 0.53 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 2brj n PHE 93 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2brj n GLY 94 N -0.44 3.21 0.31 1.37 0.00 -0.89 -1.38 105.19 107.37 2brj n GLY 94 Ca 0.36 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.46 2brj n GLY 94 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2brj h ASP 95 N 1.20 0.00 0.87 1.61 3.32 -1.58 -3.17 116.42 118.67 2brj h ASP 95 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2brj h ASP 95 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2brj h ASP 95 CO 0.00 0.02 -0.49 1.88 -1.72 0.00 0.00 179.24 178.93 2brj h TYR 96 N 0.00 0.00 0.00 4.55 0.05 -1.53 -3.47 116.97 116.57 2brj h TYR 96 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2brj h TYR 96 Cb 0.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2brj h TYR 96 CO 0.00 0.49 0.00 0.41 -1.05 0.00 0.00 178.16 178.01 2brj n GLY 97 N 0.43 0.52 3.27 3.88 0.00 -1.20 -0.34 105.19 111.74 2brj n GLY 97 Ca -0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 2brj n GLY 97 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2brj s HIS 98 N -0.85 0.16 0.05 1.61 -3.43 -1.05 -1.22 115.29 110.55 2brj s HIS 98 Ca 0.00 -0.55 0.08 0.00 -0.80 0.00 0.00 55.06 53.79 2brj s HIS 98 Cb 0.00 0.00 -0.03 0.00 -1.43 0.00 0.00 32.58 31.12 2brj s HIS 98 CO 0.00 -0.62 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.38 2brj s LEU 99 N -2.88 2.39 0.07 5.38 1.43 -0.31 -1.31 118.68 123.45 2brj s LEU 99 Ca 0.08 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2brj s LEU 99 Cb 0.04 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2brj s LEU 99 CO -0.08 0.25 -0.25 -0.44 0.23 0.00 0.00 176.35 176.06 2brj s SER 100 N -1.41 3.07 0.12 2.29 0.01 -0.08 -0.52 113.70 117.17 2brj s SER 100 Ca 0.13 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2brj s SER 100 Cb -0.10 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2brj s SER 100 CO 0.04 0.21 -0.01 0.68 0.41 0.00 0.00 173.24 174.57 2brj s VAL 101 N -0.90 0.46 -0.14 3.43 -7.23 -0.00 -0.81 120.40 115.21 2brj s VAL 101 Ca 0.11 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 2brj s VAL 101 Cb -0.10 -1.86 0.05 0.00 0.56 0.00 0.00 36.38 35.03 2brj s VAL 101 CO 0.03 -0.69 0.36 -1.58 -0.31 0.00 0.00 175.10 172.91 2brj s GLN 102 N -3.92 0.36 0.00 4.82 0.74 -0.45 -2.56 119.66 118.65 2brj s GLN 102 Ca 0.17 0.64 0.00 0.00 0.05 0.00 0.00 55.36 56.22 2brj s GLN 102 Cb 0.07 0.03 0.00 0.00 1.10 0.00 0.00 33.01 34.21 2brj s GLN 102 CO -0.02 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2brj n GLY 103 N 3.80 0.15 3.73 2.59 0.00 -0.68 -0.93 105.19 113.85 2brj n GLY 103 Ca -0.20 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.96 2brj n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2brj s PRO 104 N -2.00 4.67 -0.31 1.61 0.04 -1.26 -0.60 135.00 137.14 2brj s PRO 104 Ca 0.00 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.43 2brj s PRO 104 Cb 0.00 -3.37 0.10 0.00 0.04 0.00 0.00 34.50 31.27 2brj s PRO 104 CO 0.00 0.25 0.06 -0.47 0.04 0.00 0.00 177.00 176.89 2brj s TYR 105 N -0.12 2.60 -0.24 0.56 6.14 -0.59 -4.68 117.35 121.02 2brj s TYR 105 Ca 0.45 -2.25 -0.05 0.00 0.64 0.00 0.00 57.07 55.85 2brj s TYR 105 Cb -0.23 -2.19 -0.01 0.00 0.42 0.00 0.00 41.96 39.95 2brj s TYR 105 CO 0.29 -0.90 0.02 -0.51 0.64 0.00 0.00 175.55 175.09 2brj s LEU 106 N 1.31 3.25 0.50 6.97 1.43 -1.26 -0.84 118.68 130.04 2brj s LEU 106 Ca 0.09 -0.41 0.33 0.00 -1.03 0.00 0.00 54.13 53.11 2brj s LEU 106 Cb -0.18 -1.82 1.57 0.00 0.03 0.00 0.00 46.19 45.79 2brj s LEU 106 CO -0.16 -0.06 2.00 0.71 0.23 0.00 0.00 176.35 179.07 2brj h THR 107 N 5.70 0.00 -0.00 5.49 1.35 -1.68 -3.03 112.91 120.74 2brj h THR 107 Ca -0.38 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2brj h THR 107 Cb 1.16 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2brj h THR 107 CO 0.59 0.00 -0.82 0.00 -0.25 0.00 0.00 175.52 175.05 2brj n TYR 108 N -2.82 0.00 -3.52 4.73 4.11 -1.26 -4.94 117.16 113.47 2brj n TYR 108 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 2brj n TYR 108 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.51 2brj n TYR 108 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 2brj s GLU 109 N -2.71 1.20 0.64 -3.48 -1.05 -1.15 -5.09 118.70 107.07 2brj s GLU 109 Ca 0.09 -0.49 -0.18 0.00 -0.15 0.00 0.00 54.97 54.24 2brj s GLU 109 Cb 0.15 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.35 2brj s GLU 109 CO 0.74 -0.53 1.25 -0.51 0.95 0.00 0.00 175.26 177.16 2brj s ASP 110 N -2.71 4.72 0.22 0.83 1.01 -1.26 -4.41 116.67 115.06 2brj s ASP 110 Ca 0.04 2.50 -0.06 0.00 0.71 0.00 0.00 52.55 55.74 2brj s ASP 110 Cb -0.02 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 2brj s ASP 110 CO -0.09 -1.92 0.26 -0.94 0.21 0.00 0.00 175.17 172.70 2brj s SER 111 N -1.58 0.06 -0.11 0.27 1.04 -0.73 -4.97 113.70 107.69 2brj s SER 111 Ca 0.79 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 56.04 2brj s SER 111 Cb -0.34 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2brj s SER 111 CO 0.38 -0.95 -0.17 -0.36 0.98 0.00 0.00 173.24 173.12 2brj s PHE 112 N -4.10 2.70 0.21 5.02 0.08 -1.26 -0.22 117.98 120.41 2brj s PHE 112 Ca 0.32 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 56.75 2brj s PHE 112 Cb 0.04 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2brj s PHE 112 CO 0.11 -0.22 0.04 -0.51 -0.10 0.00 0.00 175.22 174.54 2brj s LEU 113 N 0.17 3.40 0.19 -0.37 1.02 -0.31 -4.41 118.68 118.38 2brj s LEU 113 Ca -0.10 -0.41 -0.30 0.00 0.02 0.00 0.00 54.13 53.34 2brj s LEU 113 Cb -0.16 -2.00 -0.08 0.00 0.02 0.00 0.00 46.19 43.97 2brj s LEU 113 CO 0.06 0.05 0.95 0.00 0.02 0.00 0.00 176.35 177.43 2brj s ALA 114 N -1.93 3.30 -0.43 4.21 0.00 -0.11 -1.24 121.76 125.56 2brj s ALA 114 Ca 0.29 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 2brj s ALA 114 Cb -0.08 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2brj s ALA 114 CO 0.20 0.11 0.82 0.42 0.00 0.00 0.00 175.76 177.32 2brj s ILE 115 N -0.71 4.62 -0.48 0.00 1.01 -0.15 -1.34 121.20 124.15 2brj s ILE 115 Ca 0.43 0.62 0.24 0.00 0.00 0.00 0.00 60.65 61.95 2brj s ILE 115 Cb -0.25 -4.33 0.14 0.00 0.01 0.00 0.00 42.46 38.03 2brj s ILE 115 CO 0.31 -0.68 1.37 0.71 0.00 0.00 0.00 174.94 176.65 2brj h THR 116 N 5.95 0.00 0.00 2.92 1.35 -1.27 -3.37 112.91 118.49 2brj h THR 116 Ca -0.24 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2brj h THR 116 Cb 1.08 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 2brj h THR 116 CO 0.97 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 2brj n GLY 117 N 1.23 -2.05 3.32 5.82 0.00 -1.23 -5.00 105.19 107.27 2brj n GLY 117 Ca 0.03 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 2brj n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brj n GLY 118 N -0.90 1.70 3.29 -0.02 0.00 -1.23 -0.91 105.19 107.12 2brj n GLY 118 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2brj n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brj s ALA 119 N -2.42 0.59 0.00 4.61 0.00 -0.43 -4.14 121.76 119.96 2brj s ALA 119 Ca 0.22 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2brj s ALA 119 Cb -0.02 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2brj s ALA 119 CO 0.16 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2brj n GLY 120 N -0.24 1.94 0.16 0.00 0.00 -1.26 -2.02 105.19 103.77 2brj n GLY 120 Ca -0.02 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.64 2brj n GLY 120 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2brj h ILE 121 N 0.00 0.00 -0.39 -0.61 3.07 -1.04 -1.80 117.51 116.74 2brj h ILE 121 Ca 0.00 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.26 2brj h ILE 121 Cb 0.00 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 37.35 2brj h ILE 121 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 2brj n PHE 122 N -2.31 0.51 -1.66 0.16 3.72 -0.86 -4.56 117.46 112.46 2brj n PHE 122 Ca 0.00 -0.25 -0.46 0.00 -0.05 0.00 0.00 57.45 56.69 2brj n PHE 122 Cb 0.15 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2brj n PHE 122 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2brj n GLU 123 N 1.03 1.95 -0.73 -1.08 0.00 -0.68 -1.39 120.64 119.73 2brj n GLU 123 Ca 0.18 0.70 0.00 0.00 0.00 0.00 0.00 57.16 58.04 2brj n GLU 123 Cb 0.48 -2.38 0.00 0.00 0.00 0.00 0.00 31.44 29.54 2brj n GLU 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2brj n GLY 124 N 2.60 0.87 3.74 8.31 0.00 -1.26 -4.48 105.19 114.97 2brj n GLY 124 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2brj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brj n ALA 125 N 0.19 2.14 -3.05 4.61 0.00 -0.49 -4.42 120.51 119.50 2brj n ALA 125 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 2brj n ALA 125 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.01 2brj n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2brj s TYR 126 N -0.54 0.70 -0.68 0.00 -0.85 -0.32 -3.90 117.35 111.76 2brj s TYR 126 Ca 0.60 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 2brj s TYR 126 Cb -0.52 0.08 0.00 0.00 0.38 0.00 0.00 41.96 41.91 2brj s TYR 126 CO 0.56 -1.09 0.00 0.41 -1.52 0.00 0.00 175.55 173.91 2brj n GLY 127 N -0.47 0.58 3.37 5.49 0.00 -1.26 -1.27 105.19 111.64 2brj n GLY 127 Ca -0.01 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.60 2brj n GLY 127 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2brj s GLN 128 N -0.27 1.39 -0.05 1.61 -2.07 -1.26 -0.98 119.66 118.03 2brj s GLN 128 Ca 0.00 -1.64 0.03 0.00 -1.82 0.00 0.00 55.36 51.93 2brj s GLN 128 Cb 0.00 -1.15 0.01 0.00 -1.09 0.00 0.00 33.01 30.78 2brj s GLN 128 CO 0.00 0.16 -0.13 0.54 -1.32 0.00 0.00 175.29 174.54 2brj s VAL 129 N -2.97 1.15 -0.16 3.63 0.11 -0.38 -1.40 120.40 120.38 2brj s VAL 129 Ca 0.24 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.54 2brj s VAL 129 Cb 0.00 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 2brj s VAL 129 CO 0.08 0.35 0.68 -0.75 -3.33 0.00 0.00 175.10 172.13 2brj s LYS 130 N 0.35 4.28 -0.27 1.54 2.20 0.09 -1.16 119.74 126.77 2brj s LYS 130 Ca -0.08 0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 56.18 2brj s LYS 130 Cb -0.13 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2brj s LYS 130 CO 0.02 -0.18 0.16 -1.17 -0.36 0.00 0.00 175.35 173.82 2brj s LEU 131 N 1.70 3.91 -0.22 5.43 0.20 0.70 -1.41 118.68 128.98 2brj s LEU 131 Ca 0.33 -0.04 -0.05 0.00 0.69 0.00 0.00 54.13 55.06 2brj s LEU 131 Cb -0.16 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 2brj s LEU 131 CO 0.12 -0.03 -0.00 -1.10 -0.29 0.00 0.00 176.35 175.05 2brj s GLN 132 N 1.65 3.52 -1.03 1.98 -0.21 0.48 -1.77 119.66 124.28 2brj s GLN 132 Ca 0.07 -0.56 -0.22 0.00 0.02 0.00 0.00 55.36 54.67 2brj s GLN 132 Cb -0.16 -3.11 0.06 0.00 1.00 0.00 0.00 33.01 30.80 2brj s GLN 132 CO 0.09 -0.13 1.44 -0.65 -2.12 0.00 0.00 175.29 173.92 2brj s GLN 133 N 1.37 3.61 -0.04 2.91 -1.52 -1.26 -1.64 119.66 123.08 2brj s GLN 133 Ca 0.04 -1.20 -0.07 0.00 -1.95 0.00 0.00 55.36 52.18 2brj s GLN 133 Cb -0.15 -5.34 -0.04 0.00 -0.22 0.00 0.00 33.01 27.27 2brj s GLN 133 CO 0.00 -2.18 0.36 -0.07 -0.25 0.00 0.00 175.29 173.15 2brj h LEU 134 N 12.63 -0.20 -7.45 2.90 3.38 -1.86 -3.45 115.31 121.26 2brj h LEU 134 Ca 0.21 0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.69 2brj h LEU 134 Cb 1.00 0.05 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 2brj h LEU 134 CO 1.41 0.10 -0.77 -0.69 0.09 0.00 0.00 178.44 178.57 2brj s VAL 135 N -2.31 0.65 0.01 1.22 1.01 -0.34 -4.82 120.40 115.81 2brj s VAL 135 Ca -0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2brj s VAL 135 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2brj s VAL 135 CO 0.10 0.06 0.97 -0.47 0.00 0.00 0.00 175.10 175.77 2brj s TYR 136 N 1.83 3.67 -0.76 5.22 5.04 -1.26 -0.51 117.35 130.58 2brj s TYR 136 Ca 0.02 1.70 0.17 0.00 -2.44 0.00 0.00 57.07 56.51 2brj s TYR 136 Cb -0.15 -3.11 0.73 0.00 0.35 0.00 0.00 41.96 39.79 2brj s TYR 136 CO -0.07 0.01 1.65 -0.35 -1.34 0.00 0.00 175.55 175.45 2brj n PRO 137 N 3.81 4.04 0.05 4.97 -0.04 -1.26 -4.93 135.00 141.64 2brj n PRO 137 Ca 0.06 -2.96 0.06 0.00 -0.04 0.00 0.00 63.50 60.61 2brj n PRO 137 Cb 0.51 -2.00 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 2brj n PRO 137 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2brj n THR 138 N 0.82 0.81 -3.97 0.52 -2.24 0.30 -4.71 114.28 105.80 2brj n THR 138 Ca 0.26 -0.62 -0.24 0.00 -2.27 0.00 0.00 64.05 61.18 2brj n THR 138 Cb 0.98 -0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 68.58 2brj n THR 138 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2brj s LYS 139 N -3.16 1.09 0.05 -0.78 1.02 0.33 -1.05 119.74 117.23 2brj s LYS 139 Ca -0.03 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 55.90 2brj s LYS 139 Cb 0.10 -1.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 2brj s LYS 139 CO 0.82 -0.22 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.37 2brj s LEU 140 N 1.56 2.20 -0.08 3.17 1.02 -0.21 -1.20 118.68 125.15 2brj s LEU 140 Ca 0.00 -0.51 0.03 0.00 0.02 0.00 0.00 54.13 53.68 2brj s LEU 140 Cb -0.13 -0.63 0.00 0.00 0.02 0.00 0.00 46.19 45.46 2brj s LEU 140 CO -0.05 0.02 -0.19 0.12 0.02 0.00 0.00 176.35 176.28 2brj s PHE 141 N -0.96 2.02 0.05 0.29 5.36 -0.65 -0.69 117.98 123.39 2brj s PHE 141 Ca 0.01 -0.77 0.09 0.00 -0.96 0.00 0.00 56.93 55.31 2brj s PHE 141 Cb -0.09 -1.39 -0.03 0.00 -0.34 0.00 0.00 43.02 41.18 2brj s PHE 141 CO 0.02 -0.32 -0.25 0.71 -1.46 0.00 0.00 175.22 173.91 2brj s TYR 142 N 0.41 2.21 -0.21 10.12 1.51 -0.19 -0.39 117.35 130.80 2brj s TYR 142 Ca -0.15 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 2brj s TYR 142 Cb -0.16 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.42 2brj s TYR 142 CO 0.06 0.12 -0.05 0.99 -1.11 0.00 0.00 175.55 175.56 2brj s THR 143 N -0.81 1.32 -0.05 -0.71 2.01 -0.50 -1.62 115.64 115.28 2brj s THR 143 Ca 0.11 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 2brj s THR 143 Cb -0.10 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 2brj s THR 143 CO 0.02 -0.04 0.72 -0.36 -0.69 0.00 0.00 174.62 174.27 2brj s PHE 144 N 1.50 3.60 -1.09 4.92 0.40 0.96 -0.73 117.98 127.54 2brj s PHE 144 Ca -0.03 1.29 -0.08 0.00 -0.60 0.00 0.00 56.93 57.50 2brj s PHE 144 Cb -0.18 -2.81 0.27 0.00 0.51 0.00 0.00 43.02 40.81 2brj s PHE 144 CO -0.07 0.11 1.08 0.71 0.70 0.00 0.00 175.22 177.75 2brj s TYR 145 N 0.68 4.24 -0.16 0.36 2.02 -0.49 -1.46 117.35 122.54 2brj s TYR 145 Ca 0.38 -2.72 -0.27 0.00 -0.37 0.00 0.00 57.07 54.09 2brj s TYR 145 Cb -0.18 -3.78 -0.01 0.00 -0.40 0.00 0.00 41.96 37.58 2brj s TYR 145 CO 0.19 -0.93 0.92 -0.51 -1.57 0.00 0.00 175.55 173.65 2brj s LEU 146 N -1.26 4.19 0.24 -1.29 1.43 -0.39 -4.12 118.68 117.47 2brj s LEU 146 Ca 0.30 1.33 0.09 0.00 -1.03 0.00 0.00 54.13 54.82 2brj s LEU 146 Cb -0.10 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2brj s LEU 146 CO -0.08 -0.46 -0.03 -0.54 0.23 0.00 0.00 176.35 175.47 2brj s LYS 147 N 2.27 2.24 0.00 1.70 1.02 -0.39 -0.67 119.74 125.91 2brj s LYS 147 Ca 0.43 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.06 2brj s LYS 147 Cb -0.17 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2brj s LYS 147 CO 0.13 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 2brj n GLY 148 N -0.58 0.80 3.77 -3.33 0.00 -1.26 -1.17 105.19 103.41 2brj n GLY 148 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2brj n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2brj s LEU 149 N 0.00 4.14 0.28 0.99 1.43 -1.26 -4.42 118.68 119.84 2brj s LEU 149 Ca 0.00 2.36 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 2brj s LEU 149 Cb 0.00 -4.08 0.42 0.00 0.03 0.00 0.00 46.19 42.56 2brj s LEU 149 CO 0.00 -0.76 1.68 0.00 0.23 0.00 0.00 176.35 177.50 2brj h ALA 150 N 2.46 1.06 -2.38 4.21 0.00 -1.80 -3.47 119.26 119.35 2brj h ALA 150 Ca -0.49 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 53.84 2brj h ALA 150 Cb 1.24 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 2brj h ALA 150 CO 0.62 0.60 -0.64 -0.80 0.00 0.00 0.00 179.25 179.03 2brj s ASN 151 N -6.87 0.35 0.33 0.00 0.01 -1.26 -5.13 114.94 102.37 2brj s ASN 151 Ca -0.05 -1.13 -0.29 0.00 -0.71 0.00 0.00 52.86 50.69 2brj s ASN 151 Cb 0.13 0.27 -0.12 0.00 0.41 0.00 0.00 41.25 41.95 2brj s ASN 151 CO 0.78 -0.70 1.44 0.47 -1.51 0.00 0.00 177.10 177.58 2brj n ASP 152 N -0.04 3.36 -4.74 -1.22 8.00 -1.26 -4.96 116.55 115.69 2brj n ASP 152 Ca -0.08 1.19 -0.37 0.00 0.71 0.00 0.00 54.79 56.24 2brj n ASP 152 Cb 0.63 -1.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.23 2brj n ASP 152 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2brj s LEU 153 N -1.11 3.70 0.46 0.64 1.43 -1.26 -4.94 118.68 117.60 2brj s LEU 153 Ca 0.58 2.66 -0.25 0.00 -1.03 0.00 0.00 54.13 56.09 2brj s LEU 153 Cb -0.53 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.13 2brj s LEU 153 CO 0.58 -1.79 1.43 -2.16 0.23 0.00 0.00 176.35 174.64 2brj s PRO 154 N -3.18 3.64 0.41 1.29 0.04 -1.26 -4.89 135.00 131.04 2brj s PRO 154 Ca 0.78 2.41 0.10 0.00 0.04 0.00 0.00 61.00 64.33 2brj s PRO 154 Cb -0.38 -2.63 0.90 0.00 0.04 0.00 0.00 34.50 32.44 2brj s PRO 154 CO 0.42 -0.85 1.99 -0.07 0.04 0.00 0.00 177.00 178.53 2brj h LEU 155 N 2.26 0.48 -1.08 -3.56 3.38 -1.97 -1.11 115.31 113.72 2brj h LEU 155 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2brj h LEU 155 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2brj h LEU 155 CO 0.61 0.31 0.00 1.05 0.09 0.00 0.00 178.44 180.50 2brj h GLU 156 N 0.55 0.00 0.00 1.13 4.11 -2.02 -1.48 114.58 116.86 2brj h GLU 156 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2brj h GLU 156 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2brj h GLU 156 CO -0.08 0.00 -0.93 1.28 0.07 0.00 0.00 179.01 179.35 2brj n LEU 157 N -2.34 0.64 -0.59 3.06 4.77 -0.42 -4.53 117.00 117.58 2brj n LEU 157 Ca 0.01 -0.09 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 2brj n LEU 157 Cb 0.17 -0.11 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 2brj n LEU 157 CO 0.17 0.09 0.50 0.35 -1.33 0.00 0.00 177.39 177.17 2brj n THR 158 N -1.81 2.20 -1.74 -5.08 -2.24 -0.56 -4.65 114.28 100.39 2brj n THR 158 Ca 0.03 -2.83 -0.38 0.00 -2.27 0.00 0.00 64.05 58.60 2brj n THR 158 Cb 0.40 -0.26 0.04 0.00 -2.10 0.00 0.00 70.33 68.42 2brj n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2brj n GLY 159 N -1.16 0.78 3.68 3.38 0.00 -1.21 -4.86 105.19 105.81 2brj n GLY 159 Ca 0.21 0.02 -0.52 0.00 0.00 0.00 0.00 46.02 45.73 2brj n GLY 159 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2brj n THR 160 N -1.07 0.34 -1.84 2.61 -1.04 -1.26 -4.24 114.28 107.79 2brj n THR 160 Ca 0.11 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.68 2brj n THR 160 Cb 0.45 -1.45 0.05 0.00 -1.82 0.00 0.00 70.33 67.55 2brj n THR 160 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2brj s PRO 161 N 3.12 2.96 -0.00 -2.82 0.02 -1.26 -4.19 135.00 132.82 2brj s PRO 161 Ca 0.93 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.73 2brj s PRO 161 Cb -0.87 -2.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 2brj s PRO 161 CO 0.55 -1.29 1.30 0.08 -0.33 0.00 0.00 177.00 177.31 2brj s VAL 162 N -1.39 3.92 0.17 3.83 1.01 -0.14 -4.86 120.40 122.94 2brj s VAL 162 Ca 0.76 1.31 -0.33 0.00 0.00 0.00 0.00 61.98 63.71 2brj s VAL 162 Cb -0.37 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 2brj s VAL 162 CO 0.42 0.02 1.52 -2.65 0.00 0.00 0.00 175.10 174.41 2brj n PRO 163 N 4.97 2.05 -1.89 2.72 -0.02 -1.26 -4.87 135.00 136.70 2brj n PRO 163 Ca 0.12 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 2brj n PRO 163 Cb 0.45 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2brj n PRO 163 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2brj s PRO 164 N 0.58 4.19 0.18 0.52 0.04 -1.26 -4.99 135.00 134.26 2brj s PRO 164 Ca 0.77 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 64.09 2brj s PRO 164 Cb -0.69 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2brj s PRO 164 CO 0.41 -0.68 0.36 -1.54 0.04 0.00 0.00 177.00 175.60 2brj s SER 165 N 1.61 -0.05 0.53 6.66 1.04 -1.26 -5.06 113.70 117.16 2brj s SER 165 Ca 0.73 -0.76 0.25 0.00 0.48 0.00 0.00 55.95 56.65 2brj s SER 165 Cb -0.44 0.48 1.46 0.00 0.10 0.00 0.00 66.02 67.63 2brj s SER 165 CO 0.32 -0.95 2.11 0.11 0.98 0.00 0.00 173.24 175.81 2brj h LYS 166 N 2.43 0.00 -0.55 4.02 1.57 -1.94 -2.91 116.57 119.19 2brj h LYS 166 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2brj h LYS 166 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2brj h LYS 166 CO 0.44 0.10 0.00 -0.25 -0.57 0.00 0.00 179.45 179.17 2brj n ASP 167 N -3.85 4.63 -4.74 0.86 8.00 -1.26 -4.94 116.55 115.25 2brj n ASP 167 Ca -0.02 -2.58 -0.37 0.00 0.71 0.00 0.00 54.79 52.53 2brj n ASP 167 Cb 0.19 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 40.78 2brj n ASP 167 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2brj s ILE 168 N -2.08 2.24 -0.02 0.53 -5.25 -1.10 -5.04 121.20 110.47 2brj s ILE 168 Ca 0.48 0.16 -0.07 0.00 -0.99 0.00 0.00 60.65 60.22 2brj s ILE 168 Cb 0.33 -3.07 0.01 0.00 2.95 0.00 0.00 42.46 42.67 2brj s ILE 168 CO 0.20 -0.02 0.15 -1.61 -1.79 0.00 0.00 174.94 171.87 2brj s GLU 169 N -3.20 0.40 0.68 0.37 0.41 -1.26 -5.08 118.70 111.02 2brj s GLU 169 Ca 0.77 -0.21 -0.16 0.00 -0.41 0.00 0.00 54.97 54.96 2brj s GLU 169 Cb -0.36 0.17 0.01 0.00 -1.78 0.00 0.00 34.13 32.17 2brj s GLU 169 CO 0.40 -0.09 1.21 -1.25 -0.49 0.00 0.00 175.26 175.04 2brj s PRO 170 N -0.95 2.42 0.43 0.39 0.04 -1.26 -4.95 135.00 131.13 2brj s PRO 170 Ca -0.10 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2brj s PRO 170 Cb -0.06 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2brj s PRO 170 CO 0.01 -1.63 1.03 0.00 0.04 0.00 0.00 177.00 176.46 2brj n ALA 171 N -2.34 0.29 -0.13 8.56 0.00 0.01 -4.75 120.51 122.15 2brj n ALA 171 Ca 0.14 0.22 0.09 0.00 0.00 0.00 0.00 53.44 53.88 2brj n ALA 171 Cb 0.50 -2.10 0.42 0.00 0.00 0.00 0.00 19.45 18.27 2brj n ALA 171 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2brj h PRO 172 N 1.52 0.58 -0.30 0.00 0.11 -1.92 -0.95 132.00 131.03 2brj h PRO 172 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2brj h PRO 172 Cb 1.34 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2brj h PRO 172 CO 0.57 0.38 0.04 0.93 -0.21 0.00 0.00 178.00 179.71 2brj h GLU 173 N 0.60 0.45 -0.05 1.05 3.07 -1.91 -1.14 114.58 116.65 2brj h GLU 173 Ca 0.29 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.93 2brj h GLU 173 Cb 0.37 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2brj h GLU 173 CO -0.09 0.44 -0.54 0.00 -1.40 0.00 0.00 179.01 177.42 2brj h ALA 174 N 1.61 0.13 -0.64 3.43 0.00 -1.34 -1.12 119.26 121.33 2brj h ALA 174 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2brj h ALA 174 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2brj h ALA 174 CO 0.00 0.36 0.40 -0.22 0.00 0.00 0.00 179.25 179.79 2brj h LYS 175 N -0.01 0.85 -0.01 0.00 3.64 -1.19 -2.76 116.57 117.10 2brj h LYS 175 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2brj h LYS 175 Cb 1.22 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2brj h LYS 175 CO 0.11 0.58 -0.07 0.00 -2.27 0.00 0.00 179.45 177.81 2brj n ALA 176 N -2.44 2.72 -2.78 5.00 0.00 -0.44 -4.95 120.51 117.62 2brj n ALA 176 Ca 0.06 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 2brj n ALA 176 Cb 0.06 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.32 2brj n ALA 176 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2brj n LEU 177 N -0.23 -2.37 -4.80 0.00 4.77 -0.86 -5.00 117.00 108.51 2brj n LEU 177 Ca 0.17 -0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 2brj n LEU 177 Cb 0.32 -2.61 -0.05 0.00 -2.33 0.00 0.00 43.42 38.76 2brj n LEU 177 CO 0.19 0.11 0.70 -1.61 -1.33 0.00 0.00 177.39 175.46 2brj s GLU 178 N -5.38 3.99 0.32 3.23 2.02 -0.48 -4.91 118.70 117.49 2brj s GLU 178 Ca 0.20 1.32 0.08 0.00 0.02 0.00 0.00 54.97 56.59 2brj s GLU 178 Cb -0.09 -2.20 0.80 0.00 0.10 0.00 0.00 34.13 32.74 2brj s GLU 178 CO 0.25 -0.26 1.78 -1.35 0.02 0.00 0.00 175.26 175.69 2brj h PRO 179 N 1.83 0.68 0.00 0.39 0.11 -1.92 0.20 132.00 133.31 2brj h PRO 179 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2brj h PRO 179 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2brj h PRO 179 CO 0.60 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 2brj h SER 180 N 0.70 0.00 -0.28 -2.05 4.64 -1.92 -2.95 113.55 111.69 2brj h SER 180 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2brj h SER 180 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2brj h SER 180 CO -0.37 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.20 2brj n GLY 181 N -0.67 3.42 3.14 -0.77 0.00 0.70 -4.87 105.19 106.13 2brj n GLY 181 Ca -0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2brj n GLY 181 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2brj s VAL 182 N -1.87 0.67 0.51 1.61 -7.23 -1.07 -0.31 120.40 112.71 2brj s VAL 182 Ca 0.30 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.78 2brj s VAL 182 Cb 0.22 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 2brj s VAL 182 CO 0.11 -0.70 0.80 0.27 -0.31 0.00 0.00 175.10 175.27 2brj s ILE 183 N -2.85 4.23 0.26 -0.62 -4.36 -0.71 -4.88 121.20 112.27 2brj s ILE 183 Ca 0.05 -0.04 -0.30 0.00 -0.26 0.00 0.00 60.65 60.09 2brj s ILE 183 Cb -0.00 -3.62 -0.11 0.00 1.25 0.00 0.00 42.46 39.98 2brj s ILE 183 CO -0.03 -0.58 1.56 -0.44 0.24 0.00 0.00 174.94 175.69 2brj s SER 184 N -4.21 6.48 -1.42 4.36 0.01 -1.26 -2.07 113.70 115.59 2brj s SER 184 Ca 0.50 2.83 -0.08 0.00 1.31 0.00 0.00 55.95 60.51 2brj s SER 184 Cb -0.10 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.55 2brj s SER 184 CO 0.43 -0.85 0.62 -3.20 0.41 0.00 0.00 173.24 170.66 2brj n ASN 185 N 2.53 -4.88 -4.53 2.44 5.15 -1.26 -2.25 115.26 112.45 2brj n ASN 185 Ca 0.09 -0.40 -0.45 0.00 -0.60 0.00 0.00 54.58 53.22 2brj n ASN 185 Cb 0.38 -3.97 -0.01 0.00 -0.53 0.00 0.00 39.78 35.65 2brj n ASN 185 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2brj n TYR 186 N -4.29 0.67 -2.58 1.20 0.18 -0.88 -3.97 117.16 107.50 2brj n TYR 186 Ca -0.04 0.73 -0.41 0.00 1.88 0.00 0.00 57.90 60.06 2brj n TYR 186 Cb 0.57 -2.16 -0.04 0.00 -0.38 0.00 0.00 39.34 37.33 2brj n TYR 186 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2brj s THR 187 N -1.12 4.06 0.00 -3.48 2.01 -1.08 -4.85 115.64 111.19 2brj s THR 187 Ca 0.61 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.36 2brj s THR 187 Cb -0.72 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 67.67 2brj s THR 187 CO 0.59 0.29 0.02 -3.20 -0.69 0.00 0.00 174.62 171.63