#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 3.28 -0.17 3.15 1.01 -1.26 -4.43 120.40 121.98 2brj s VAL 16 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2brj s VAL 16 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2brj s VAL 16 CO 0.00 0.52 -0.09 -1.10 0.00 0.00 0.00 175.10 174.42 2brj s GLN 17 N 0.31 3.38 0.01 2.72 -0.21 0.17 -4.92 119.66 121.13 2brj s GLN 17 Ca -0.09 -0.66 -0.23 0.00 0.02 0.00 0.00 55.36 54.41 2brj s GLN 17 Cb -0.15 -2.80 -0.05 0.00 1.00 0.00 0.00 33.01 31.01 2brj s GLN 17 CO 0.05 0.03 0.67 -2.00 -2.12 0.00 0.00 175.29 171.92 2brj s GLU 18 N 0.86 4.40 -0.04 2.91 2.12 -1.26 -0.71 118.70 126.97 2brj s GLU 18 Ca -0.03 0.88 -0.01 0.00 0.36 0.00 0.00 54.97 56.17 2brj s GLU 18 Cb -0.15 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.91 2brj s GLU 18 CO 0.01 0.31 0.03 -1.17 -0.54 0.00 0.00 175.26 173.90 2brj s LEU 19 N -0.06 0.49 0.01 2.70 2.96 -0.66 -4.98 118.68 119.14 2brj s LEU 19 Ca 0.34 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2brj s LEU 19 Cb -0.19 -0.21 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 2brj s LEU 19 CO 0.20 -0.20 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.44 2brj s SER 20 N 1.84 4.09 0.04 3.68 0.01 -1.26 -0.04 113.70 122.05 2brj s SER 20 Ca 0.01 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.95 2brj s SER 20 Cb -0.12 -0.80 -0.02 0.00 0.21 0.00 0.00 66.02 65.28 2brj s SER 20 CO -0.03 0.29 0.05 0.68 0.41 0.00 0.00 173.24 174.63 2brj s VAL 21 N -0.89 0.15 -0.12 3.43 -7.23 -0.92 -1.98 120.40 112.83 2brj s VAL 21 Ca 0.14 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 59.06 2brj s VAL 21 Cb -0.11 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2brj s VAL 21 CO 0.05 -0.68 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.83 2brj s TYR 22 N -2.74 3.07 -0.21 2.82 2.02 -0.49 -1.03 117.35 120.80 2brj s TYR 22 Ca -0.04 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 2brj s TYR 22 Cb -0.00 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2brj s TYR 22 CO -0.05 0.19 0.02 -2.00 -1.57 0.00 0.00 175.55 172.13 2brj s GLU 23 N -0.18 3.68 -0.05 -0.62 2.12 0.05 -0.60 118.70 123.09 2brj s GLU 23 Ca 0.04 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2brj s GLU 23 Cb -0.13 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.14 2brj s GLU 23 CO 0.02 0.02 -0.08 0.42 -0.54 0.00 0.00 175.26 175.10 2brj s ILE 24 N 1.01 0.81 -0.50 -3.70 1.01 -0.16 -1.10 121.20 118.57 2brj s ILE 24 Ca 0.02 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 2brj s ILE 24 Cb -0.14 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.59 2brj s ILE 24 CO 0.02 0.29 0.77 0.21 0.00 0.00 0.00 174.94 176.23 2brj s ASN 25 N 0.81 6.32 -0.09 3.58 3.84 0.02 -1.33 114.94 128.10 2brj s ASN 25 Ca -0.12 -0.47 0.15 0.00 0.21 0.00 0.00 52.86 52.63 2brj s ASN 25 Cb -0.15 -2.37 0.60 0.00 -0.55 0.00 0.00 41.25 38.79 2brj s ASN 25 CO 0.02 -1.00 1.48 -0.62 -2.79 0.00 0.00 177.10 174.19 2brj n GLU 26 N 6.76 3.22 -1.27 0.43 1.02 -1.26 -4.89 120.64 124.65 2brj n GLU 26 Ca -0.01 -2.37 -0.09 0.00 -0.02 0.00 0.00 57.16 54.66 2brj n GLU 26 Cb 0.47 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.94 -0.50 -0.16 -4.62 4.77 -1.26 -4.85 117.00 111.32 2brj n LEU 27 Ca 0.21 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.48 2brj n LEU 27 Cb 0.75 -1.90 0.09 0.00 -2.33 0.00 0.00 43.42 40.03 2brj n LEU 27 CO 0.20 -0.66 0.56 -0.90 -1.33 0.00 0.00 177.39 175.25 2brj n ASP 28 N -0.24 2.38 -0.12 -1.43 5.75 -1.26 -4.62 116.55 117.01 2brj n ASP 28 Ca -0.09 -2.54 0.07 0.00 -0.01 0.00 0.00 54.79 52.22 2brj n ASP 28 Cb 0.39 -0.24 0.10 0.00 -1.03 0.00 0.00 41.12 40.34 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 -0.81 1.26 -1.72 0.11 1.74 -1.26 -4.98 116.66 111.01 2brj n ARG 29 Ca 0.09 -2.20 -0.18 0.00 -0.77 0.00 0.00 57.85 54.79 2brj n ARG 29 Cb 0.48 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.11 -0.20 -4.76 -1.55 8.25 -1.26 -4.86 115.22 109.73 2brj n HIS 30 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.27 2brj n HIS 30 Cb 0.60 -3.24 -0.13 0.00 1.12 0.00 0.00 29.99 28.34 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 -2.66 3.63 0.60 0.41 0.15 -1.26 -4.10 113.70 110.46 2brj s SER 31 Ca 0.00 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.11 2brj s SER 31 Cb 0.00 -0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 63.76 2brj s SER 31 CO 0.00 0.27 0.95 -2.16 1.20 0.00 0.00 173.24 173.50 2brj s PRO 32 N -1.31 3.21 -0.30 5.44 0.04 -1.26 -4.82 135.00 135.99 2brj s PRO 32 Ca 0.13 0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.43 2brj s PRO 32 Cb -0.10 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2brj s PRO 32 CO 0.04 -0.64 0.11 0.21 0.04 0.00 0.00 177.00 176.76 2brj s LYS 33 N -5.07 3.15 -0.28 4.56 2.47 -0.89 -5.05 119.74 118.63 2brj s LYS 33 Ca 0.54 -0.83 -0.21 0.00 -1.56 0.00 0.00 55.97 53.91 2brj s LYS 33 Cb -0.11 -3.45 -0.01 0.00 -1.46 0.00 0.00 37.83 32.80 2brj s LYS 33 CO 0.49 -0.45 0.65 0.42 0.16 0.00 0.00 175.35 176.62 2brj s ILE 34 N 1.54 4.94 -0.51 5.43 1.01 -1.26 -3.34 121.20 129.01 2brj s ILE 34 Ca 0.03 1.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.57 2brj s ILE 34 Cb -0.17 -3.99 0.12 0.00 0.01 0.00 0.00 42.46 38.43 2brj s ILE 34 CO 0.04 -0.08 0.43 -0.76 0.00 0.00 0.00 174.94 174.57 2brj s LEU 35 N 2.61 5.93 -0.29 2.97 1.43 0.29 -5.01 118.68 126.61 2brj s LEU 35 Ca 0.27 -1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 51.41 2brj s LEU 35 Cb -0.15 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2brj s LEU 35 CO 0.10 -0.77 0.58 -0.75 0.23 0.00 0.00 176.35 175.74 2brj s LYS 36 N 1.52 3.96 0.00 1.70 2.47 -1.26 -1.48 119.74 126.65 2brj s LYS 36 Ca 0.04 0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.74 2brj s LYS 36 Cb -0.28 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2brj s LYS 36 CO 0.02 -0.48 0.00 0.09 0.16 0.00 0.00 175.35 175.14 2brj n ASN 37 N 5.72 2.90 -4.77 1.43 3.02 -1.26 -4.99 115.26 117.31 2brj n ASN 37 Ca -0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 2brj n ASN 37 Cb 0.49 0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 40.20 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 -1.18 3.20 -0.35 5.41 0.00 -1.26 -4.89 121.76 122.68 2brj s ALA 38 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 2brj s ALA 38 Cb 0.00 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 2brj s ALA 38 CO 0.00 -0.51 3.32 1.19 0.00 0.00 0.00 175.76 179.76 2brj n PHE 39 N 0.20 0.74 -3.69 0.00 0.99 -1.26 -4.82 117.46 109.61 2brj n PHE 39 Ca 0.04 -1.85 -0.12 0.00 -0.00 0.00 0.00 57.45 55.52 2brj n PHE 39 Cb 0.46 -1.68 -0.06 0.00 -1.00 0.00 0.00 39.48 37.20 2brj n PHE 39 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2brj s SER 40 N 1.62 -0.22 0.00 4.37 0.15 -1.26 -5.17 113.70 113.19 2brj s SER 40 Ca 0.65 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2brj s SER 40 Cb 0.31 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2brj s SER 40 CO -0.06 -0.68 0.61 0.18 1.20 0.00 0.00 173.24 174.50 2brj n LEU 41 N 0.42 1.75 -4.85 3.45 4.77 -1.26 -4.93 117.00 116.34 2brj n LEU 41 Ca -0.18 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.59 2brj n LEU 41 Cb 0.60 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2brj n LEU 41 CO 0.20 0.31 0.03 -0.36 -1.33 0.00 0.00 177.39 176.24 2brj s PHE 43 N 0.63 3.67 0.26 -1.77 0.08 -1.26 -5.19 117.98 114.40 2brj s PHE 43 Ca 0.00 0.83 -0.17 0.00 0.12 0.00 0.00 56.93 57.71 2brj s PHE 43 Cb 0.00 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2brj s PHE 43 CO 0.00 0.64 0.61 0.20 -0.10 0.00 0.00 175.22 176.57 2brj s GLY 44 N -1.25 0.18 0.13 4.36 0.00 -1.26 -3.85 107.32 105.64 2brj s GLY 44 Ca 0.24 -0.56 -0.35 0.00 0.00 0.00 0.00 44.72 44.05 2brj s GLY 44 CO 0.13 -0.33 1.46 -0.10 0.00 0.00 0.00 173.10 174.26 2brj n LEU 45 N -0.42 2.40 0.00 0.66 7.94 -1.26 -1.33 117.00 124.99 2brj n LEU 45 Ca -0.03 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 2brj n LEU 45 Cb 0.60 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.24 2brj n LEU 45 CO 0.18 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.42 2brj n GLY 46 N 2.98 1.05 3.74 -3.96 0.00 -1.26 -4.27 105.19 103.47 2brj n GLY 46 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.65 7.44 -0.01 1.61 1.01 -0.44 -4.17 116.67 121.46 2brj s ASP 47 Ca 0.00 1.94 0.05 0.00 0.71 0.00 0.00 52.55 55.25 2brj s ASP 47 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2brj s ASP 47 CO 0.00 -0.08 -0.17 -0.76 0.21 0.00 0.00 175.17 174.36 2brj s LEU 48 N -0.37 2.05 -0.44 1.23 1.43 -0.55 -1.66 118.68 120.38 2brj s LEU 48 Ca 0.47 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2brj s LEU 48 Cb -0.26 -0.87 0.15 0.00 0.03 0.00 0.00 46.19 45.23 2brj s LEU 48 CO 0.32 0.20 0.27 -0.69 0.23 0.00 0.00 176.35 176.68 2brj s VAL 49 N -0.46 1.03 0.43 -1.59 1.01 0.55 -0.55 120.40 120.83 2brj s VAL 49 Ca 0.06 -2.51 -0.26 0.00 0.00 0.00 0.00 61.98 59.27 2brj s VAL 49 Cb -0.07 -1.72 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 2brj s VAL 49 CO -0.00 -0.99 1.37 -2.84 0.00 0.00 0.00 175.10 172.63 2brj s PRO 50 N 0.32 3.82 0.10 2.72 0.02 -1.21 -1.07 135.00 139.69 2brj s PRO 50 Ca 0.21 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.38 2brj s PRO 50 Cb -0.17 -2.70 0.02 0.00 0.02 0.00 0.00 34.50 31.67 2brj s PRO 50 CO -0.05 -0.67 0.33 -0.59 -0.33 0.00 0.00 177.00 175.69 2brj s PHE 51 N -1.23 -0.09 -0.27 6.54 -0.12 -0.50 -2.10 117.98 120.20 2brj s PHE 51 Ca 0.59 -0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 2brj s PHE 51 Cb -0.41 0.14 0.12 0.00 -0.63 0.00 0.00 43.02 42.24 2brj s PHE 51 CO 0.53 -0.62 0.59 -0.08 -0.05 0.00 0.00 175.22 175.58 2brj s THR 52 N -3.59 -0.91 0.45 -4.49 -1.32 -1.26 -1.87 115.64 102.65 2brj s THR 52 Ca 0.02 0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.59 2brj s THR 52 Cb 0.02 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 2brj s THR 52 CO -0.10 0.02 0.06 0.20 -2.21 0.00 0.00 174.62 172.59 2brj s ASN 53 N 2.82 4.11 0.35 8.08 0.01 -1.13 -4.72 114.94 124.47 2brj s ASN 53 Ca -0.04 -1.41 -0.12 0.00 -0.71 0.00 0.00 52.86 50.58 2brj s ASN 53 Cb -0.12 -0.04 -0.07 0.00 0.41 0.00 0.00 41.25 41.43 2brj s ASN 53 CO -0.17 -0.65 0.72 -0.54 -1.51 0.00 0.00 177.10 174.95 2brj s LYS 54 N -3.84 3.85 -0.08 -0.60 1.02 -0.44 -0.79 119.74 118.86 2brj s LYS 54 Ca 0.26 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2brj s LYS 54 Cb 0.05 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2brj s LYS 54 CO 0.14 0.08 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.33 2brj s LEU 55 N -3.43 1.73 0.22 3.17 2.96 0.00 -0.99 118.68 122.35 2brj s LEU 55 Ca 0.51 -0.38 0.10 0.00 -0.22 0.00 0.00 54.13 54.15 2brj s LEU 55 Cb -0.10 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 2brj s LEU 55 CO 0.25 0.05 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.83 2brj s TYR 56 N 0.73 2.08 0.89 5.38 2.02 0.23 -0.97 117.35 127.71 2brj s TYR 56 Ca -0.13 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.05 2brj s TYR 56 Cb -0.16 -0.97 0.11 0.00 -0.40 0.00 0.00 41.96 40.54 2brj s TYR 56 CO 0.03 0.52 1.01 0.25 -1.57 0.00 0.00 175.55 175.80 2brj n THR 57 N -0.19 0.57 0.05 -0.71 -2.24 -0.21 -1.40 114.28 110.16 2brj n THR 57 Ca -0.09 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 2brj n THR 57 Cb 0.59 -0.98 0.50 0.00 -2.10 0.00 0.00 70.33 68.34 2brj n THR 57 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2brj h GLY 58 N -1.55 0.42 0.69 3.38 0.00 -1.66 -0.16 103.07 104.19 2brj h GLY 58 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2brj h GLY 58 CO 0.41 0.14 -0.03 2.09 0.00 0.00 0.00 176.54 179.14 2brj n ASP 59 N -4.49 0.47 -0.12 0.19 5.68 -1.26 -1.58 116.55 115.45 2brj n ASP 59 Ca 0.03 -0.92 -0.02 0.00 -0.50 0.00 0.00 54.79 53.39 2brj n ASP 59 Cb 0.13 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.75 0.60 0.10 -2.12 4.77 -0.07 -4.62 117.00 114.90 2brj n LEU 60 Ca 0.19 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2brj n LEU 60 Cb 0.22 -2.09 0.01 0.00 -2.33 0.00 0.00 43.42 39.23 2brj n LEU 60 CO 0.20 -0.79 0.31 0.11 -1.33 0.00 0.00 177.39 175.89 2brj h LYS 61 N 0.20 0.00 -4.73 3.23 1.57 -1.92 1.00 116.57 115.92 2brj h LYS 61 Ca -0.03 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.36 2brj h LYS 61 Cb 0.81 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.83 2brj h LYS 61 CO 0.05 0.79 -0.78 0.15 -0.57 0.00 0.00 179.45 179.09 2brj s LYS 62 N -3.04 0.73 -0.05 3.15 1.02 -1.26 -4.34 119.74 115.95 2brj s LYS 62 Ca 0.01 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 2brj s LYS 62 Cb 0.10 -0.70 -0.03 0.00 -0.52 0.00 0.00 37.83 36.68 2brj s LYS 62 CO 0.79 0.19 1.23 0.50 -0.92 0.00 0.00 175.35 177.13 2brj s ARG 63 N -0.25 4.34 -0.18 1.68 6.06 0.03 -1.04 118.95 129.58 2brj s ARG 63 Ca 0.03 1.71 0.09 0.00 -2.50 0.00 0.00 55.73 55.05 2brj s ARG 63 Cb -0.04 -3.57 -0.17 0.00 0.06 0.00 0.00 34.95 31.23 2brj s ARG 63 CO -0.00 -0.48 -0.06 1.33 -2.50 0.00 0.00 175.30 173.60 2brj n VAL 64 N 4.66 1.17 0.00 7.11 0.24 -0.15 -1.87 118.33 129.49 2brj n VAL 64 Ca 0.11 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2brj n VAL 64 Cb 0.46 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 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 2.22 -0.60 3.21 7.63 0.00 -0.92 -2.42 105.19 114.32 2brj n GLY 65 Ca -0.32 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.90 0.13 0.19 -0.61 -4.36 -1.16 -0.82 121.20 113.67 2brj s ILE 66 Ca 0.00 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.00 2brj s ILE 66 Cb 0.00 -1.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 2brj s ILE 66 CO 0.00 -0.59 0.31 0.42 0.24 0.00 0.00 174.94 175.32 2brj s THR 67 N -3.92 5.23 -0.28 8.37 -4.23 0.03 -0.56 115.64 120.28 2brj s THR 67 Ca 0.11 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.61 2brj s THR 67 Cb 0.05 -3.76 0.09 0.00 1.34 0.00 0.00 72.50 70.22 2brj s THR 67 CO -0.06 -0.21 0.66 0.00 -0.54 0.00 0.00 174.62 174.46 2brj s ALA 68 N -1.86 -1.86 0.00 3.99 0.00 -0.57 -2.83 121.76 118.63 2brj s ALA 68 Ca 0.34 2.33 0.00 0.00 0.00 0.00 0.00 51.96 54.64 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 0.28 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2brj n GLY 69 N 4.64 -0.59 2.79 0.00 0.00 -0.78 -1.27 105.19 109.97 2brj n GLY 69 Ca -0.18 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 1.16 -0.21 0.99 2.96 -0.29 -1.41 118.68 121.87 2brj s LEU 70 Ca 0.00 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 2brj s LEU 70 Cb 0.00 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 2brj s LEU 70 CO 0.00 -0.11 0.08 0.00 -1.32 0.00 0.00 176.35 175.00 2brj s VAL 72 N 0.89 4.97 0.15 0.00 1.01 0.36 -0.33 120.40 127.46 2brj s VAL 72 Ca 0.04 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2brj s VAL 72 Cb -0.14 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2brj s VAL 72 CO 0.03 0.11 1.50 -0.69 0.00 0.00 0.00 175.10 176.05 2brj s VAL 73 N 1.68 2.84 -0.25 2.92 1.01 -0.66 -0.57 120.40 127.37 2brj s VAL 73 Ca 0.06 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 2brj s VAL 73 Cb -0.17 -3.39 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 2brj s VAL 73 CO 0.09 0.05 -0.29 -0.38 0.00 0.00 0.00 175.10 174.56 2brj n ILE 74 N 3.88 1.40 -3.51 2.22 2.08 0.09 -4.20 119.36 121.33 2brj n ILE 74 Ca 0.13 -0.41 -0.13 0.00 0.56 0.00 0.00 62.75 62.90 2brj n ILE 74 Cb 0.40 -1.69 -0.04 0.00 -0.75 0.00 0.00 39.64 37.55 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 0.93 0.27 0.38 -1.05 -1.15 -4.08 118.70 111.54 2brj s GLU 75 Ca -0.35 -0.06 -0.27 0.00 -0.15 0.00 0.00 54.97 54.14 2brj s GLU 75 Cb 0.12 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 2brj s GLU 75 CO 0.48 -0.35 0.92 -1.58 0.95 0.00 0.00 175.26 175.68 2brj s HIS 76 N -2.17 3.84 -0.66 4.83 5.65 -1.25 -1.29 115.29 124.24 2brj s HIS 76 Ca -0.02 1.82 0.04 0.00 0.25 0.00 0.00 55.06 57.14 2brj s HIS 76 Cb -0.01 -2.92 0.16 0.00 -1.18 0.00 0.00 32.58 28.63 2brj s HIS 76 CO -0.01 0.35 0.44 0.08 -0.65 0.00 0.00 174.74 174.94 2brj s VAL 77 N -1.39 2.97 0.31 0.89 1.01 0.48 -4.91 120.40 119.78 2brj s VAL 77 Ca 0.45 -3.86 0.01 0.00 0.00 0.00 0.00 61.98 58.58 2brj s VAL 77 Cb -0.22 -2.97 0.20 0.00 0.00 0.00 0.00 36.38 33.39 2brj s VAL 77 CO 0.27 -0.94 1.90 1.55 0.00 0.00 0.00 175.10 177.89 2brj h PRO 78 N 5.91 0.79 0.00 2.72 0.13 -1.96 -1.76 132.00 137.83 2brj h PRO 78 Ca 0.06 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2brj h PRO 78 Cb 0.82 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2brj h PRO 78 CO 0.72 0.65 -0.01 1.05 -0.23 0.00 0.00 178.00 180.18 2brj h GLU 79 N 0.79 0.00 -0.06 0.86 9.09 -1.94 -2.03 114.58 121.28 2brj h GLU 79 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2brj h GLU 79 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2brj h GLU 79 CO -0.02 0.01 0.00 1.63 0.05 0.00 0.00 179.01 180.68 2brj n LYS 80 N -3.13 1.04 -3.77 1.06 4.76 -0.73 -5.00 118.16 112.40 2brj n LYS 80 Ca -0.02 -1.38 -0.23 0.00 -2.87 0.00 0.00 58.31 53.82 2brj n LYS 80 Cb 0.17 -1.25 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 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 0.72 -4.85 -1.50 1.97 4.01 -0.77 -4.84 118.16 112.89 2brj n LYS 81 Ca 0.08 0.59 -0.02 0.00 -0.51 0.00 0.00 58.31 58.46 2brj n LYS 81 Cb 0.34 -5.17 0.01 0.00 -0.51 0.00 0.00 35.03 29.70 2brj n LYS 81 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2brj n GLY 82 N -1.64 1.78 3.29 0.72 0.00 -0.98 -4.90 105.19 103.47 2brj n GLY 82 Ca -0.24 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.02 1.16 -0.21 1.61 0.41 -1.26 -0.38 118.70 118.01 2brj s GLU 83 Ca 0.03 -1.29 -0.07 0.00 -0.41 0.00 0.00 54.97 53.22 2brj s GLU 83 Cb -0.01 -1.22 -0.03 0.00 -1.78 0.00 0.00 34.13 31.09 2brj s GLU 83 CO 0.02 0.25 0.06 0.50 -0.49 0.00 0.00 175.26 175.60 2brj s ARG 84 N -2.53 3.77 0.16 1.61 3.52 -0.41 -1.60 118.95 123.47 2brj s ARG 84 Ca 0.11 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 2brj s ARG 84 Cb -0.07 -3.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2brj s ARG 84 CO 0.05 0.03 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.48 2brj s PHE 85 N 1.02 2.82 -0.21 5.12 0.08 0.38 -0.73 117.98 126.46 2brj s PHE 85 Ca 0.04 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.90 2brj s PHE 85 Cb -0.14 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2brj s PHE 85 CO 0.03 0.50 -0.03 -2.00 -0.10 0.00 0.00 175.22 173.63 2brj s GLU 86 N -2.79 3.48 -0.06 0.44 2.56 0.27 -1.55 118.70 121.05 2brj s GLU 86 Ca 0.26 -0.58 0.04 0.00 0.00 0.00 0.00 54.97 54.69 2brj s GLU 86 Cb -0.10 -3.03 -0.02 0.00 2.00 0.00 0.00 34.13 32.98 2brj s GLU 86 CO 0.18 -0.09 -0.17 0.00 -0.56 0.00 0.00 175.26 174.62 2brj s ALA 87 N 1.24 2.55 -0.23 6.30 0.00 0.20 -0.49 121.76 131.33 2brj s ALA 87 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2brj s ALA 87 Cb -0.14 -0.92 0.07 0.00 0.00 0.00 0.00 23.12 22.12 2brj s ALA 87 CO -0.00 0.49 0.01 0.99 0.00 0.00 0.00 175.76 177.25 2brj s THR 88 N -0.50 1.04 0.25 0.00 2.01 -0.58 -1.80 115.64 116.07 2brj s THR 88 Ca 0.06 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 2brj s THR 88 Cb -0.12 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 70.94 2brj s THR 88 CO 0.01 -0.23 0.71 -0.72 -0.69 0.00 0.00 174.62 173.70 2brj s TYR 89 N 1.61 -0.25 0.20 4.92 1.13 -1.07 -1.14 117.35 122.75 2brj s TYR 89 Ca -0.01 -0.15 0.10 0.00 -1.41 0.00 0.00 57.07 55.59 2brj s TYR 89 Cb -0.18 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 2brj s TYR 89 CO -0.09 -1.15 -0.19 -1.12 -2.51 0.00 0.00 175.55 170.49 2brj s SER 90 N -2.89 2.99 -0.19 -0.18 0.01 -0.40 -0.93 113.70 112.12 2brj s SER 90 Ca 0.09 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.40 2brj s SER 90 Cb -0.05 -0.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 2brj s SER 90 CO 0.03 -0.02 -0.11 -0.36 0.41 0.00 0.00 173.24 173.19 2brj s PHE 91 N -2.29 2.87 -0.18 2.43 0.08 0.51 -1.51 117.98 119.89 2brj s PHE 91 Ca 0.21 -1.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.11 2brj s PHE 91 Cb -0.05 -2.00 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2brj s PHE 91 CO 0.09 -0.56 0.04 0.71 -0.10 0.00 0.00 175.22 175.40 2brj s TYR 92 N 1.19 3.19 -0.41 0.36 2.02 0.27 -1.27 117.35 122.70 2brj s TYR 92 Ca 0.02 -0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 2brj s TYR 92 Cb -0.14 -2.05 0.43 0.00 -0.40 0.00 0.00 41.96 39.79 2brj s TYR 92 CO -0.04 0.10 1.13 1.19 -1.57 0.00 0.00 175.55 176.36 2brj n PHE 93 N 3.55 3.28 -1.93 2.71 3.72 -0.02 -2.99 117.46 125.78 2brj n PHE 93 Ca -0.17 -2.93 0.00 0.00 -0.05 0.00 0.00 57.45 54.30 2brj n PHE 93 Cb 0.52 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.53 2.98 0.04 1.37 0.00 -1.02 -1.55 105.19 106.49 2brj n GLY 94 Ca 0.40 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.30 2brj n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2brj n ASP 95 N 2.15 0.21 0.22 1.61 8.00 -1.20 -2.74 116.55 124.80 2brj n ASP 95 Ca 0.00 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.13 2brj n ASP 95 Cb 0.00 -0.59 0.50 0.00 -0.02 0.00 0.00 41.12 41.00 2brj n ASP 95 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2brj h TYR 96 N 0.00 0.00 0.00 1.24 0.05 -1.60 -3.46 116.97 113.21 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 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2brj h TYR 96 CO 0.00 0.26 0.00 0.41 -1.05 0.00 0.00 178.16 177.78 2brj n GLY 97 N -0.22 0.21 3.26 3.88 0.00 -1.11 -0.30 105.19 110.91 2brj n GLY 97 Ca -0.01 -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 0.00 0.15 -0.02 1.61 -3.43 -1.03 -0.84 115.29 111.73 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 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 2brj s HIS 98 CO 0.00 -0.62 -0.25 -0.51 -2.00 0.00 0.00 174.74 171.35 2brj s LEU 99 N -2.88 2.09 0.04 5.38 1.43 -0.40 -1.42 118.68 122.93 2brj s LEU 99 Ca 0.08 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 2brj s LEU 99 Cb 0.04 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 2brj s LEU 99 CO -0.08 0.32 -0.17 -0.44 0.23 0.00 0.00 176.35 176.21 2brj s SER 100 N -0.65 3.91 0.11 2.29 0.01 -0.08 -0.36 113.70 118.93 2brj s SER 100 Ca 0.10 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.97 2brj s SER 100 Cb -0.10 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 2brj s SER 100 CO -0.01 0.25 -0.03 0.68 0.41 0.00 0.00 173.24 174.55 2brj s VAL 101 N -0.96 0.52 -0.14 3.43 -7.23 -0.10 -0.76 120.40 115.17 2brj s VAL 101 Ca 0.15 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 2brj s VAL 101 Cb -0.11 -1.80 0.05 0.00 0.56 0.00 0.00 36.38 35.08 2brj s VAL 101 CO 0.06 -0.76 0.35 -1.58 -0.31 0.00 0.00 175.10 172.86 2brj s GLN 102 N -3.90 0.35 0.00 4.82 2.00 -0.53 -2.58 119.66 119.82 2brj s GLN 102 Ca 0.15 0.62 0.00 0.00 -2.00 0.00 0.00 55.36 54.13 2brj s GLN 102 Cb 0.06 0.02 0.00 0.00 0.80 0.00 0.00 33.01 33.90 2brj s GLN 102 CO -0.03 -0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 2brj n GLY 103 N 3.80 -0.58 3.75 2.59 0.00 -0.74 -0.84 105.19 113.16 2brj n GLY 103 Ca -0.20 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 4.50 -0.23 1.61 0.04 -1.26 -0.63 135.00 137.03 2brj s PRO 104 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2brj s PRO 104 Cb 0.00 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2brj s PRO 104 CO 0.00 0.29 -0.12 -0.47 0.04 0.00 0.00 177.00 176.73 2brj s TYR 105 N -0.07 3.07 -0.21 0.56 6.04 -0.59 -4.67 117.35 121.47 2brj s TYR 105 Ca 0.39 -1.92 -0.04 0.00 0.04 0.00 0.00 57.07 55.54 2brj s TYR 105 Cb -0.21 -1.96 -0.01 0.00 -1.04 0.00 0.00 41.96 38.74 2brj s TYR 105 CO 0.23 -0.82 -0.05 -0.51 -1.54 0.00 0.00 175.55 172.86 2brj s LEU 106 N 1.22 2.88 0.16 6.97 1.43 -1.26 -0.47 118.68 129.61 2brj s LEU 106 Ca -0.02 -0.39 0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2brj s LEU 106 Cb -0.17 -1.73 0.80 0.00 0.03 0.00 0.00 46.19 45.12 2brj s LEU 106 CO -0.07 -0.01 1.56 0.35 0.23 0.00 0.00 176.35 178.41 2brj n THR 107 N 4.72 1.01 0.55 5.49 -2.24 -0.63 -2.97 114.28 120.21 2brj n THR 107 Ca -0.18 0.32 0.06 0.00 -2.27 0.00 0.00 64.05 61.97 2brj n THR 107 Cb 0.51 -1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 2brj n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2brj n TYR 108 N -1.94 0.00 -3.45 4.78 4.11 -1.26 -4.92 117.16 114.47 2brj n TYR 108 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.79 2brj n TYR 108 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.48 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 -1.96 1.22 0.72 -3.48 -1.05 -1.16 -5.12 118.70 107.87 2brj s GLU 109 Ca 0.06 -0.33 -0.15 0.00 -0.15 0.00 0.00 54.97 54.40 2brj s GLU 109 Cb 0.09 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.38 2brj s GLU 109 CO 0.43 -0.50 1.21 -0.51 0.95 0.00 0.00 175.26 176.84 2brj s ASP 110 N -2.42 4.29 0.23 0.83 1.01 -1.26 -4.38 116.67 114.98 2brj s ASP 110 Ca -0.02 2.36 -0.06 0.00 0.71 0.00 0.00 52.55 55.54 2brj s ASP 110 Cb -0.01 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2brj s ASP 110 CO -0.08 -2.20 0.31 -0.94 0.21 0.00 0.00 175.17 172.47 2brj s SER 111 N -2.00 0.15 -0.07 0.27 1.04 -0.83 -4.95 113.70 107.30 2brj s SER 111 Ca 0.75 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2brj s SER 111 Cb -0.29 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2brj s SER 111 CO 0.44 -1.01 -0.20 -0.36 0.98 0.00 0.00 173.24 173.09 2brj s PHE 112 N -4.00 2.57 0.19 5.02 0.08 -1.26 -0.42 117.98 120.17 2brj s PHE 112 Ca 0.31 -0.61 0.08 0.00 0.12 0.00 0.00 56.93 56.83 2brj s PHE 112 Cb 0.03 -1.66 -0.04 0.00 -0.57 0.00 0.00 43.02 40.78 2brj s PHE 112 CO 0.12 -0.14 0.01 -0.51 -0.10 0.00 0.00 175.22 174.60 2brj s LEU 113 N -0.15 3.34 0.11 -0.37 1.02 0.03 -4.34 118.68 118.31 2brj s LEU 113 Ca -0.03 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.43 2brj s LEU 113 Cb -0.14 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 44.04 2brj s LEU 113 CO 0.04 0.07 0.88 0.00 0.02 0.00 0.00 176.35 177.36 2brj s ALA 114 N -1.84 3.31 -0.38 4.21 0.00 -0.02 -1.11 121.76 125.93 2brj s ALA 114 Ca 0.28 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 2brj s ALA 114 Cb -0.09 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.89 2brj s ALA 114 CO 0.19 0.06 0.93 0.42 0.00 0.00 0.00 175.76 177.36 2brj s ILE 115 N -0.27 4.57 -0.41 0.00 1.01 -0.42 -1.45 121.20 124.23 2brj s ILE 115 Ca 0.43 1.16 0.23 0.00 0.00 0.00 0.00 60.65 62.47 2brj s ILE 115 Cb -0.23 -4.35 0.13 0.00 0.01 0.00 0.00 42.46 38.02 2brj s ILE 115 CO 0.28 -0.57 1.31 0.71 0.00 0.00 0.00 174.94 176.67 2brj h THR 116 N 5.85 0.00 0.00 2.92 1.35 -1.25 -3.36 112.91 118.42 2brj h THR 116 Ca -0.23 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2brj h THR 116 Cb 1.08 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2brj h THR 116 CO 0.99 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2brj n GLY 117 N 1.20 -2.06 2.45 5.82 0.00 -1.23 -5.00 105.19 106.36 2brj n GLY 117 Ca 0.02 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.87 1.89 3.30 -0.02 0.00 -1.23 -0.90 105.19 107.36 2brj n GLY 118 Ca 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.09 0.07 0.00 4.61 0.00 -0.50 -4.21 121.76 119.64 2brj s ALA 119 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2brj s ALA 119 Cb -0.02 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2brj s ALA 119 CO 0.11 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2brj n GLY 120 N -0.18 1.44 0.23 0.00 0.00 -1.26 -2.17 105.19 103.24 2brj n GLY 120 Ca -0.08 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.42 -0.61 3.07 -0.98 -1.80 117.51 116.77 2brj h ILE 121 Ca 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.22 2brj h ILE 121 Cb 0.00 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 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 -2.66 0.55 -1.66 0.16 3.72 -0.92 -4.49 117.46 112.15 2brj n PHE 122 Ca -0.00 -0.27 -0.45 0.00 -0.05 0.00 0.00 57.45 56.67 2brj n PHE 122 Cb 0.16 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.01 1.96 -0.94 -1.08 0.00 -0.68 -1.20 120.64 119.71 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 0.46 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.56 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 2.20 0.93 3.75 8.31 0.00 -1.26 -4.50 105.19 114.61 2brj n GLY 124 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 0.83 2.48 -2.79 4.61 0.00 -0.34 -4.42 120.51 120.88 2brj n ALA 125 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 2brj n ALA 125 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 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 -0.34 0.90 -1.53 0.00 -0.85 -0.38 -3.84 117.35 111.30 2brj s TYR 126 Ca 0.61 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 2brj s TYR 126 Cb -0.49 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 41.71 2brj s TYR 126 CO 0.53 -0.96 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 2brj n GLY 127 N -0.44 0.45 3.14 5.49 0.00 -1.26 -1.01 105.19 111.56 2brj n GLY 127 Ca 0.01 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.61 0.73 -0.03 1.61 -2.07 -1.22 -1.30 119.66 116.77 2brj s GLN 128 Ca 0.00 -1.17 0.02 0.00 -1.82 0.00 0.00 55.36 52.39 2brj s GLN 128 Cb 0.00 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.18 2brj s GLN 128 CO 0.00 -0.18 -0.08 0.54 -1.32 0.00 0.00 175.29 174.24 2brj s VAL 129 N -3.92 0.74 -0.05 3.63 0.11 -0.27 -0.82 120.40 119.82 2brj s VAL 129 Ca 0.09 -0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 58.60 2brj s VAL 129 Cb 0.07 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2brj s VAL 129 CO -0.09 0.24 0.63 -0.75 -3.33 0.00 0.00 175.10 171.80 2brj s LYS 130 N 0.29 4.39 -0.21 1.54 2.20 -0.08 -0.79 119.74 127.07 2brj s LYS 130 Ca -0.04 0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 2brj s LYS 130 Cb -0.09 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 2brj s LYS 130 CO 0.01 0.19 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.01 2brj s LEU 131 N 0.40 3.18 -0.20 5.43 0.20 0.44 -1.58 118.68 126.55 2brj s LEU 131 Ca 0.33 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.92 2brj s LEU 131 Cb -0.18 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2brj s LEU 131 CO 0.17 0.04 -0.17 -1.10 -0.29 0.00 0.00 176.35 174.99 2brj s GLN 132 N 1.16 2.75 -0.06 1.98 -0.21 -0.16 -1.97 119.66 123.14 2brj s GLN 132 Ca 0.03 -0.98 -0.24 0.00 0.02 0.00 0.00 55.36 54.19 2brj s GLN 132 Cb -0.14 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 2brj s GLN 132 CO 0.01 -0.32 0.75 -1.14 -2.12 0.00 0.00 175.29 172.47 2brj s GLN 133 N 1.24 4.45 -0.20 2.91 0.74 -1.26 -0.61 119.66 126.93 2brj s GLN 133 Ca 0.01 0.96 -0.01 0.00 0.05 0.00 0.00 55.36 56.37 2brj s GLN 133 Cb -0.15 -3.46 -0.12 0.00 1.10 0.00 0.00 33.01 30.38 2brj s GLN 133 CO -0.11 0.03 -0.20 1.28 -0.55 0.00 0.00 175.29 175.74 2brj n LEU 134 N 3.88 2.62 -3.76 3.68 4.77 0.24 -4.94 117.00 123.48 2brj n LEU 134 Ca 0.00 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 2brj n LEU 134 Cb 0.51 -0.67 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 2brj n LEU 134 CO 0.48 0.74 -0.37 -0.69 -1.33 0.00 0.00 177.39 176.22 2brj s VAL 135 N -2.39 0.16 -0.15 4.08 1.01 -0.69 -4.44 120.40 117.98 2brj s VAL 135 Ca -0.27 0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2brj s VAL 135 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 2brj s VAL 135 CO 0.43 0.19 0.96 -0.47 0.00 0.00 0.00 175.10 176.22 2brj s TYR 136 N 1.63 3.45 -0.69 5.22 5.04 -1.26 -0.67 117.35 130.07 2brj s TYR 136 Ca -0.01 1.47 0.16 0.00 -2.44 0.00 0.00 57.07 56.25 2brj s TYR 136 Cb -0.13 -3.15 0.62 0.00 0.35 0.00 0.00 41.96 39.64 2brj s TYR 136 CO -0.03 -0.28 1.53 -0.35 -1.34 0.00 0.00 175.55 175.08 2brj n PRO 137 N 5.32 3.55 0.07 4.97 -0.04 -1.26 -4.96 135.00 142.64 2brj n PRO 137 Ca 0.08 -2.78 0.11 0.00 -0.04 0.00 0.00 63.50 60.87 2brj n PRO 137 Cb 0.48 -1.84 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.48 0.41 -3.70 0.52 -2.24 0.15 -4.76 114.28 105.14 2brj n THR 138 Ca 0.23 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 2brj n THR 138 Cb 0.86 -0.14 -0.18 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.30 0.12 0.07 -0.78 1.02 -0.59 -0.80 119.74 115.48 2brj s LYS 139 Ca 0.01 0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.34 2brj s LYS 139 Cb 0.12 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.76 2brj s LYS 139 CO 0.79 -0.32 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.28 2brj s LEU 140 N 2.10 2.30 -0.08 3.17 1.02 -0.26 -0.60 118.68 126.34 2brj s LEU 140 Ca 0.05 -0.64 0.03 0.00 0.02 0.00 0.00 54.13 53.58 2brj s LEU 140 Cb -0.12 -0.36 0.01 0.00 0.02 0.00 0.00 46.19 45.74 2brj s LEU 140 CO -0.04 -0.16 -0.16 0.12 0.02 0.00 0.00 176.35 176.13 2brj s PHE 141 N -1.59 1.86 0.08 0.29 5.36 0.22 -0.77 117.98 123.44 2brj s PHE 141 Ca -0.03 -0.75 0.08 0.00 -0.96 0.00 0.00 56.93 55.27 2brj s PHE 141 Cb -0.08 -1.32 -0.04 0.00 -0.34 0.00 0.00 43.02 41.25 2brj s PHE 141 CO 0.01 -0.35 -0.18 0.71 -1.46 0.00 0.00 175.22 173.95 2brj s TYR 142 N 0.63 2.54 -0.25 10.12 1.51 -0.20 -0.99 117.35 130.70 2brj s TYR 142 Ca -0.15 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2brj s TYR 142 Cb -0.16 -1.40 0.07 0.00 -0.11 0.00 0.00 41.96 40.36 2brj s TYR 142 CO 0.04 0.32 0.03 0.99 -1.11 0.00 0.00 175.55 175.82 2brj s THR 143 N -1.03 0.98 0.06 -0.71 2.01 -0.61 -2.16 115.64 114.17 2brj s THR 143 Ca 0.16 -1.08 -0.25 0.00 0.31 0.00 0.00 61.69 60.84 2brj s THR 143 Cb -0.10 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 70.84 2brj s THR 143 CO 0.07 -0.34 0.77 -0.36 -0.69 0.00 0.00 174.62 174.07 2brj s PHE 144 N 1.62 3.76 -0.70 4.92 0.40 0.94 -0.90 117.98 128.01 2brj s PHE 144 Ca 0.02 1.49 -0.07 0.00 -0.60 0.00 0.00 56.93 57.76 2brj s PHE 144 Cb -0.18 -2.81 0.18 0.00 0.51 0.00 0.00 43.02 40.72 2brj s PHE 144 CO -0.13 0.30 0.57 0.71 0.70 0.00 0.00 175.22 177.37 2brj s TYR 145 N -0.19 3.54 -0.21 0.36 2.02 -0.00 -1.65 117.35 121.22 2brj s TYR 145 Ca 0.38 -2.41 -0.18 0.00 -0.37 0.00 0.00 57.07 54.50 2brj s TYR 145 Cb -0.21 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 37.87 2brj s TYR 145 CO 0.23 -0.90 0.49 -0.51 -1.57 0.00 0.00 175.55 173.29 2brj s LEU 146 N 0.07 4.13 0.29 -1.29 1.43 0.11 -3.40 118.68 120.01 2brj s LEU 146 Ca 0.17 0.61 0.10 0.00 -1.03 0.00 0.00 54.13 53.98 2brj s LEU 146 Cb -0.17 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2brj s LEU 146 CO -0.05 -0.18 -0.04 -0.54 0.23 0.00 0.00 176.35 175.76 2brj s LYS 147 N 1.71 2.11 0.00 1.70 1.02 -0.18 -0.65 119.74 125.45 2brj s LYS 147 Ca 0.22 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.65 2brj s LYS 147 Cb -0.15 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 2brj s LYS 147 CO 0.09 0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.24 2brj n GLY 148 N -0.85 0.84 3.77 -3.33 0.00 -1.26 -1.25 105.19 103.10 2brj n GLY 148 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 4.15 0.29 0.99 1.43 -1.26 -4.42 118.68 119.86 2brj s LEU 149 Ca 0.00 2.21 0.11 0.00 -1.03 0.00 0.00 54.13 55.41 2brj s LEU 149 Cb 0.00 -4.11 0.42 0.00 0.03 0.00 0.00 46.19 42.52 2brj s LEU 149 CO 0.00 -0.62 1.65 0.00 0.23 0.00 0.00 176.35 177.60 2brj h ALA 150 N 2.51 1.05 -2.38 4.21 0.00 -1.79 -3.46 119.26 119.40 2brj h ALA 150 Ca -0.49 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 53.74 2brj h ALA 150 Cb 1.23 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2brj h ALA 150 CO 0.62 0.72 -0.65 -0.80 0.00 0.00 0.00 179.25 179.14 2brj s ASN 151 N -6.86 0.35 0.39 0.00 0.01 -1.26 -5.13 114.94 102.43 2brj s ASN 151 Ca -0.02 -1.14 -0.27 0.00 -0.71 0.00 0.00 52.86 50.72 2brj s ASN 151 Cb 0.13 0.27 -0.11 0.00 0.41 0.00 0.00 41.25 41.96 2brj s ASN 151 CO 0.76 -0.70 1.37 0.47 -1.51 0.00 0.00 177.10 177.49 2brj n ASP 152 N -0.04 3.13 -4.71 -1.22 8.00 -1.26 -4.95 116.55 115.50 2brj n ASP 152 Ca -0.08 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.20 2brj n ASP 152 Cb 0.63 -1.55 0.02 0.00 -0.02 0.00 0.00 41.12 40.20 2brj n ASP 152 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2brj n LEU 153 N 0.39 4.29 -4.76 0.64 4.77 -1.26 -4.94 117.00 116.13 2brj n LEU 153 Ca 0.04 1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 56.70 2brj n LEU 153 Cb 0.39 -1.51 0.02 0.00 -2.33 0.00 0.00 43.42 39.98 2brj n LEU 153 CO 0.62 -0.65 1.06 -0.81 -1.33 0.00 0.00 177.39 176.28 2brj n PRO 154 N -0.15 2.16 0.10 3.23 -0.04 -1.26 -4.90 135.00 134.14 2brj n PRO 154 Ca 0.07 0.77 0.05 0.00 -0.04 0.00 0.00 63.50 64.36 2brj n PRO 154 Cb 0.41 -2.63 0.49 0.00 -0.04 0.00 0.00 33.50 31.73 2brj n PRO 154 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2brj h LEU 155 N 2.14 0.28 -0.54 1.53 3.38 -1.98 -1.68 115.31 118.44 2brj h LEU 155 Ca -0.51 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2brj h LEU 155 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2brj h LEU 155 CO 0.60 0.24 0.00 -1.84 0.09 0.00 0.00 178.44 177.53 2brj n GLU 156 N -4.46 0.09 0.00 1.13 0.28 -1.26 -1.79 120.64 114.63 2brj n GLU 156 Ca 0.00 0.44 0.10 0.00 -0.16 0.00 0.00 57.16 57.55 2brj n GLU 156 Cb 0.10 -1.72 -0.08 0.00 1.43 0.00 0.00 31.44 31.17 2brj n GLU 156 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2brj n LEU 157 N -1.89 0.78 -0.79 -1.84 4.77 -0.63 -4.60 117.00 112.79 2brj n LEU 157 Ca 0.01 -0.34 0.08 0.00 -0.03 0.00 0.00 56.01 55.73 2brj n LEU 157 Cb 0.12 -0.03 0.23 0.00 -2.33 0.00 0.00 43.42 41.42 2brj n LEU 157 CO 0.12 0.18 0.69 0.35 -1.33 0.00 0.00 177.39 177.40 2brj n THR 158 N -1.65 2.06 -1.42 -5.08 -2.24 -0.74 -4.64 114.28 100.56 2brj n THR 158 Ca 0.03 -1.77 -0.35 0.00 -2.27 0.00 0.00 64.05 59.69 2brj n THR 158 Cb 0.38 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.42 0.21 3.67 3.38 0.00 -1.25 -4.90 105.19 105.87 2brj n GLY 159 Ca 0.19 -0.31 -0.49 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.57 0.23 -2.13 2.61 -1.04 -1.26 -4.28 114.28 105.83 2brj n THR 160 Ca 0.15 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.75 2brj n THR 160 Cb 0.49 -1.50 0.01 0.00 -1.82 0.00 0.00 70.33 67.51 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 2.20 3.49 0.29 -2.82 0.02 -1.26 -4.00 135.00 132.92 2brj s PRO 161 Ca 0.87 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 63.44 2brj s PRO 161 Cb -0.77 -2.27 -0.10 0.00 0.02 0.00 0.00 34.50 31.37 2brj s PRO 161 CO 0.47 -0.79 1.45 0.08 -0.33 0.00 0.00 177.00 177.88 2brj s VAL 162 N -1.53 2.47 -0.04 3.83 1.01 -0.62 -4.88 120.40 120.64 2brj s VAL 162 Ca 0.68 0.42 -0.36 0.00 0.00 0.00 0.00 61.98 62.72 2brj s VAL 162 Cb -0.31 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 32.67 2brj s VAL 162 CO 0.36 0.08 1.70 -2.65 0.00 0.00 0.00 175.10 174.59 2brj n PRO 163 N 1.75 1.84 -1.93 2.72 -0.02 -1.26 -4.88 135.00 133.21 2brj n PRO 163 Ca 0.05 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2brj n PRO 163 Cb 0.40 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2brj n PRO 163 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2brj s PRO 164 N 2.66 4.21 0.29 0.52 0.02 -1.26 -4.88 135.00 136.55 2brj s PRO 164 Ca 0.89 2.35 -0.21 0.00 0.02 0.00 0.00 61.00 64.06 2brj s PRO 164 Cb -0.80 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 30.50 2brj s PRO 164 CO 0.50 -0.63 0.73 -1.54 -0.33 0.00 0.00 177.00 175.73 2brj s SER 165 N 1.41 -0.23 0.65 2.53 1.04 -1.26 -5.02 113.70 112.81 2brj s SER 165 Ca 0.71 -0.66 0.43 0.00 0.48 0.00 0.00 55.95 56.91 2brj s SER 165 Cb -0.43 0.74 2.35 0.00 0.10 0.00 0.00 66.02 68.78 2brj s SER 165 CO 0.31 -1.37 2.33 0.11 0.98 0.00 0.00 173.24 175.60 2brj h LYS 166 N 2.00 0.00 -0.02 4.02 1.57 -1.94 -3.03 116.57 119.16 2brj h LYS 166 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2brj h LYS 166 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2brj h LYS 166 CO 0.25 0.00 -0.08 -0.25 -0.57 0.00 0.00 179.45 178.80 2brj n ASP 167 N -3.02 2.23 -4.76 0.86 8.00 -1.26 -4.91 116.55 113.69 2brj n ASP 167 Ca -0.03 -1.69 -0.39 0.00 0.71 0.00 0.00 54.79 53.39 2brj n ASP 167 Cb 0.07 0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.27 2brj n ASP 167 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2brj n ILE 168 N 0.64 3.23 -3.88 0.53 -6.64 -1.15 -5.03 119.36 107.06 2brj n ILE 168 Ca 0.15 -0.50 -0.11 0.00 -1.77 0.00 0.00 62.75 60.52 2brj n ILE 168 Cb 0.48 -1.78 -0.12 0.00 -1.44 0.00 0.00 39.64 36.78 2brj n ILE 168 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2brj s GLU 169 N -2.63 0.23 0.65 6.28 0.41 -1.26 -5.08 118.70 117.30 2brj s GLU 169 Ca 0.65 -0.17 -0.17 0.00 -0.41 0.00 0.00 54.97 54.88 2brj s GLU 169 Cb -0.43 0.09 -0.00 0.00 -1.78 0.00 0.00 34.13 32.01 2brj s GLU 169 CO 0.54 -0.04 1.18 -1.25 -0.49 0.00 0.00 175.26 175.20 2brj s PRO 170 N -0.62 2.67 0.43 0.39 0.04 -1.26 -4.95 135.00 131.69 2brj s PRO 170 Ca -0.07 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 62.42 2brj s PRO 170 Cb -0.04 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2brj s PRO 170 CO 0.00 -1.41 0.97 0.00 0.04 0.00 0.00 177.00 176.60 2brj n ALA 171 N -2.16 0.04 -0.23 8.56 0.00 0.34 -4.74 120.51 122.33 2brj n ALA 171 Ca 0.13 0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.87 2brj n ALA 171 Cb 0.50 -2.06 0.37 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 1.42 0.69 -0.04 0.00 0.11 -1.93 -0.17 132.00 132.08 2brj h PRO 172 Ca -0.44 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2brj h PRO 172 Cb 1.34 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2brj h PRO 172 CO 0.56 0.46 -0.19 0.93 -0.21 0.00 0.00 178.00 179.55 2brj h GLU 173 N 0.71 0.06 0.13 1.05 3.07 -1.90 -1.78 114.58 115.91 2brj h GLU 173 Ca 0.39 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 59.01 2brj h GLU 173 Cb 0.52 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2brj h GLU 173 CO -0.15 0.25 -0.93 0.00 -1.40 0.00 0.00 179.01 176.77 2brj h ALA 174 N 1.76 -0.06 -0.66 3.43 0.00 -1.19 -0.94 119.26 121.60 2brj h ALA 174 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 2brj h ALA 174 Cb 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2brj h ALA 174 CO 0.03 0.46 0.27 -0.22 0.00 0.00 0.00 179.25 179.79 2brj h LYS 175 N -0.15 0.96 -0.01 0.00 3.64 -1.26 -2.78 116.57 116.98 2brj h LYS 175 Ca -0.15 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2brj h LYS 175 Cb 1.70 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2brj h LYS 175 CO 0.18 0.77 -0.06 0.00 -2.27 0.00 0.00 179.45 178.07 2brj n ALA 176 N -2.44 2.71 -3.04 5.00 0.00 -0.68 -4.94 120.51 117.12 2brj n ALA 176 Ca 0.06 -0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2brj n ALA 176 Cb 0.16 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.68 -2.71 -4.79 0.00 4.77 -0.97 -5.00 117.00 107.63 2brj n LEU 177 Ca 0.18 -0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.50 2brj n LEU 177 Cb 0.26 -2.71 -0.03 0.00 -2.33 0.00 0.00 43.42 38.61 2brj n LEU 177 CO 0.21 0.29 0.73 -1.61 -1.33 0.00 0.00 177.39 175.68 2brj s GLU 178 N -5.69 3.94 0.32 3.23 2.02 -0.40 -4.91 118.70 117.22 2brj s GLU 178 Ca 0.32 1.46 0.11 0.00 0.02 0.00 0.00 54.97 56.88 2brj s GLU 178 Cb -0.14 -2.30 0.93 0.00 0.10 0.00 0.00 34.13 32.72 2brj s GLU 178 CO 0.40 -0.33 1.71 -1.35 0.02 0.00 0.00 175.26 175.71 2brj h PRO 179 N 1.98 0.48 0.00 0.39 0.11 -1.92 0.25 132.00 133.29 2brj h PRO 179 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2brj h PRO 179 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2brj h PRO 179 CO 0.60 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.58 2brj n SER 180 N -4.94 0.70 -0.87 -2.05 3.41 -1.26 -3.13 113.62 105.47 2brj n SER 180 Ca 0.28 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.62 2brj n SER 180 Cb 0.81 -0.81 0.22 0.00 -0.26 0.00 0.00 64.21 64.16 2brj n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brj n GLY 181 N 0.19 3.01 3.15 5.00 0.00 0.88 -4.88 105.19 112.55 2brj n GLY 181 Ca 0.03 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.49 0.83 0.61 1.61 -7.23 -1.11 -0.79 120.40 112.82 2brj s VAL 182 Ca 0.33 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2brj s VAL 182 Cb 0.20 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.93 2brj s VAL 182 CO 0.17 -0.55 0.94 0.27 -0.31 0.00 0.00 175.10 175.62 2brj s ILE 183 N -2.31 3.65 0.06 -0.62 -4.36 -0.78 -4.88 121.20 111.96 2brj s ILE 183 Ca 0.03 0.10 -0.31 0.00 -0.26 0.00 0.00 60.65 60.20 2brj s ILE 183 Cb -0.04 -3.47 -0.10 0.00 1.25 0.00 0.00 42.46 40.10 2brj s ILE 183 CO -0.00 -0.51 1.89 -1.20 0.24 0.00 0.00 174.94 175.36 2brj n SER 184 N -2.66 3.97 -3.89 4.36 7.64 -1.26 -2.28 113.62 119.50 2brj n SER 184 Ca 0.05 0.96 -0.28 0.00 1.01 0.00 0.00 58.87 60.61 2brj n SER 184 Cb 0.57 -1.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.28 2brj n SER 184 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2brj n ASN 185 N 6.41 -3.20 -4.51 6.43 3.02 -1.26 -3.24 115.26 118.91 2brj n ASN 185 Ca 0.19 -0.84 -0.44 0.00 -0.03 0.00 0.00 54.58 53.47 2brj n ASN 185 Cb 0.37 -3.73 -0.01 0.00 -0.61 0.00 0.00 39.78 35.80 2brj n ASN 185 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2brj n TYR 186 N -4.52 0.33 -2.48 3.10 0.18 -0.97 -3.91 117.16 108.89 2brj n TYR 186 Ca -0.09 0.69 -0.41 0.00 1.88 0.00 0.00 57.90 59.97 2brj n TYR 186 Cb 0.58 -2.11 -0.04 0.00 -0.38 0.00 0.00 39.34 37.40 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 -1.23 3.82 0.00 -3.48 2.01 -1.05 -4.83 115.64 110.88 2brj s THR 187 Ca 0.62 1.54 0.00 0.00 0.31 0.00 0.00 61.69 64.16 2brj s THR 187 Cb -0.68 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 67.84 2brj s THR 187 CO 0.58 0.25 0.00 -3.20 -0.69 0.00 0.00 174.62 171.56