#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 5.18 -0.27 3.15 1.01 -1.26 -4.54 120.40 123.67 2brj s VAL 16 Ca 0.00 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2brj s VAL 16 Cb 0.00 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2brj s VAL 16 CO 0.00 0.36 0.04 -1.10 0.00 0.00 0.00 175.10 174.40 2brj s GLN 17 N 0.42 3.24 0.08 2.72 -0.21 0.03 -4.92 119.66 121.02 2brj s GLN 17 Ca 0.25 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 2brj s GLN 17 Cb -0.15 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.55 2brj s GLN 17 CO 0.10 -0.34 1.00 -1.21 -2.12 0.00 0.00 175.29 172.72 2brj s GLU 18 N 1.50 4.63 -0.09 2.91 2.02 -1.26 -1.44 118.70 126.98 2brj s GLU 18 Ca 0.04 1.49 -0.00 0.00 0.02 0.00 0.00 54.97 56.51 2brj s GLU 18 Cb -0.16 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2brj s GLU 18 CO 0.01 0.08 -0.05 -1.17 0.02 0.00 0.00 175.26 174.15 2brj s LEU 19 N 0.37 1.04 -0.02 1.80 2.96 -0.50 -4.98 118.68 119.35 2brj s LEU 19 Ca 0.50 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2brj s LEU 19 Cb -0.24 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.75 2brj s LEU 19 CO 0.30 -0.12 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.66 2brj s SER 20 N 1.63 4.37 0.04 3.68 0.01 -1.26 -0.13 113.70 122.04 2brj s SER 20 Ca 0.02 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.09 2brj s SER 20 Cb -0.13 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 2brj s SER 20 CO -0.05 0.31 0.00 0.68 0.41 0.00 0.00 173.24 174.59 2brj s VAL 21 N -0.89 0.16 -0.16 3.43 -7.23 -0.70 -1.57 120.40 113.44 2brj s VAL 21 Ca 0.14 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 58.93 2brj s VAL 21 Cb -0.11 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2brj s VAL 21 CO 0.04 -0.74 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.75 2brj s TYR 22 N -2.85 3.02 -0.23 2.82 2.02 -0.36 -1.06 117.35 120.71 2brj s TYR 22 Ca -0.03 -0.35 -0.08 0.00 -0.37 0.00 0.00 57.07 56.24 2brj s TYR 22 Cb 0.00 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 2brj s TYR 22 CO -0.06 -0.09 0.08 -2.00 -1.57 0.00 0.00 175.55 171.92 2brj s GLU 23 N 0.50 3.81 -0.09 -0.62 2.12 -0.05 -0.62 118.70 123.75 2brj s GLU 23 Ca -0.03 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 54.91 2brj s GLU 23 Cb -0.14 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.93 2brj s GLU 23 CO 0.03 -0.02 -0.13 0.42 -0.54 0.00 0.00 175.26 175.01 2brj s ILE 24 N 1.18 1.29 -0.50 -3.70 -1.09 -0.12 -0.81 121.20 117.46 2brj s ILE 24 Ca 0.05 -0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 57.70 2brj s ILE 24 Cb -0.14 -1.19 0.04 0.00 -1.58 0.00 0.00 42.46 39.58 2brj s ILE 24 CO 0.04 0.40 0.81 0.21 -1.23 0.00 0.00 174.94 175.17 2brj s ASN 25 N 0.88 6.35 0.00 3.58 3.84 0.32 -1.43 114.94 128.48 2brj s ASN 25 Ca -0.10 -0.36 0.21 0.00 0.21 0.00 0.00 52.86 52.82 2brj s ASN 25 Cb -0.15 -2.39 0.53 0.00 -0.55 0.00 0.00 41.25 38.70 2brj s ASN 25 CO 0.01 -1.03 1.45 -0.62 -2.79 0.00 0.00 177.10 174.13 2brj n GLU 26 N 6.89 2.41 -1.23 0.43 1.02 -1.26 -4.83 120.64 124.06 2brj n GLU 26 Ca 0.00 -2.16 -0.08 0.00 -0.02 0.00 0.00 57.16 54.90 2brj n GLU 26 Cb 0.47 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.30 -0.40 -0.67 -4.62 7.99 -1.26 -4.87 117.00 114.47 2brj n LEU 27 Ca 0.20 0.20 0.08 0.00 -0.01 0.00 0.00 56.01 56.48 2brj n LEU 27 Cb 0.54 -1.79 0.22 0.00 -0.11 0.00 0.00 43.42 42.28 2brj n LEU 27 CO 0.15 -0.61 0.66 -0.90 -1.51 0.00 0.00 177.39 175.18 2brj n ASP 28 N -0.15 3.30 -0.42 -1.43 5.75 -1.26 -4.52 116.55 117.80 2brj n ASP 28 Ca -0.08 -3.11 0.06 0.00 -0.01 0.00 0.00 54.79 51.64 2brj n ASP 28 Cb 0.36 -0.52 0.09 0.00 -1.03 0.00 0.00 41.12 40.02 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 -0.84 0.77 -1.67 0.11 1.74 -1.26 -4.98 116.66 110.53 2brj n ARG 29 Ca 0.21 -2.10 -0.18 0.00 -0.77 0.00 0.00 57.85 55.01 2brj n ARG 29 Cb 0.83 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.73 -0.16 -4.98 -1.55 8.25 -1.26 -4.86 115.22 109.93 2brj n HIS 30 Ca 0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.28 2brj n HIS 30 Cb 0.72 -3.13 -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 -2.70 2.73 0.64 0.41 0.15 -1.26 -4.07 113.70 109.60 2brj s SER 31 Ca 0.00 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.05 2brj s SER 31 Cb 0.00 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2brj s SER 31 CO 0.00 0.25 1.04 -2.16 1.20 0.00 0.00 173.24 173.57 2brj s PRO 32 N -0.83 3.32 -0.27 5.44 0.04 -1.26 -4.72 135.00 136.73 2brj s PRO 32 Ca 0.09 0.93 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 2brj s PRO 32 Cb -0.09 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2brj s PRO 32 CO 0.00 -0.80 0.02 0.21 0.04 0.00 0.00 177.00 176.47 2brj s LYS 33 N -4.83 3.08 -0.31 4.56 2.47 -1.00 -5.06 119.74 118.65 2brj s LYS 33 Ca 0.58 -0.84 -0.15 0.00 -1.56 0.00 0.00 55.97 54.00 2brj s LYS 33 Cb -0.13 -3.19 -0.02 0.00 -1.46 0.00 0.00 37.83 33.03 2brj s LYS 33 CO 0.49 -0.38 0.35 0.42 0.16 0.00 0.00 175.35 176.39 2brj s ILE 34 N 1.44 5.18 -0.51 5.43 1.01 -1.26 -3.35 121.20 129.15 2brj s ILE 34 Ca 0.02 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.71 2brj s ILE 34 Cb -0.16 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.62 2brj s ILE 34 CO -0.01 0.02 0.63 -0.76 0.00 0.00 0.00 174.94 174.82 2brj s LEU 35 N 2.01 4.99 -0.45 2.97 1.43 0.43 -5.00 118.68 125.06 2brj s LEU 35 Ca 0.12 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 2brj s LEU 35 Cb -0.16 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 43.66 2brj s LEU 35 CO 0.11 -0.90 0.43 -0.75 0.23 0.00 0.00 176.35 175.48 2brj s LYS 36 N 2.62 3.05 0.00 1.70 2.47 -1.26 -1.57 119.74 126.75 2brj s LYS 36 Ca 0.15 -0.99 0.00 0.00 -1.56 0.00 0.00 55.97 53.57 2brj s LYS 36 Cb -0.19 -4.04 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2brj s LYS 36 CO 0.12 -0.95 0.00 0.09 0.16 0.00 0.00 175.35 174.77 2brj n ASN 37 N 5.52 0.45 -4.71 1.43 3.02 -1.26 -5.01 115.26 114.69 2brj n ASN 37 Ca -0.09 -0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 53.81 2brj n ASN 37 Cb 0.46 0.77 0.13 0.00 -0.61 0.00 0.00 39.78 40.53 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 -0.86 1.83 0.66 5.41 0.00 -1.26 -4.85 121.76 122.69 2brj s ALA 38 Ca 0.00 0.50 0.36 0.00 0.00 0.00 0.00 51.96 52.82 2brj s ALA 38 Cb 0.00 -3.39 1.97 0.00 0.00 0.00 0.00 23.12 21.70 2brj s ALA 38 CO 0.00 -2.31 2.13 0.27 0.00 0.00 0.00 175.76 175.85 2brj h PHE 39 N -1.45 0.00 -2.53 0.00 -0.00 -1.92 -3.45 116.94 107.60 2brj h PHE 39 Ca -0.44 0.00 -0.58 0.00 -0.00 0.00 0.00 57.97 56.95 2brj h PHE 39 Cb 1.26 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 37.10 2brj h PHE 39 CO 0.53 0.00 -0.67 -1.54 -0.00 0.00 0.00 178.31 176.63 2brj s SER 40 N -4.92 4.50 0.00 -0.68 1.04 -1.26 -5.16 113.70 107.23 2brj s SER 40 Ca -0.04 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2brj s SER 40 Cb 0.11 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.39 2brj s SER 40 CO 0.37 0.04 0.12 0.18 0.98 0.00 0.00 173.24 174.93 2brj n LEU 41 N -0.51 0.20 -4.78 2.42 4.77 -1.26 -4.82 117.00 113.02 2brj n LEU 41 Ca -0.08 -0.10 -0.38 0.00 -0.03 0.00 0.00 56.01 55.42 2brj n LEU 41 Cb 0.57 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2brj n LEU 41 CO 0.39 0.05 0.55 -0.36 -1.33 0.00 0.00 177.39 176.69 2brj s PHE 43 N -1.09 3.81 0.31 -1.77 0.08 -1.26 -5.11 117.98 112.96 2brj s PHE 43 Ca 0.00 1.69 -0.19 0.00 0.12 0.00 0.00 56.93 58.54 2brj s PHE 43 Cb 0.00 -2.83 0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2brj s PHE 43 CO 0.00 0.38 0.77 0.20 -0.10 0.00 0.00 175.22 176.47 2brj s GLY 44 N -1.40 0.08 0.19 4.36 0.00 -1.26 -3.74 107.32 105.55 2brj s GLY 44 Ca 0.43 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 44.36 2brj s GLY 44 CO 0.26 -0.10 1.37 -0.10 0.00 0.00 0.00 173.10 174.53 2brj n LEU 45 N -0.49 2.52 0.00 0.66 7.94 -1.25 -1.44 117.00 124.94 2brj n LEU 45 Ca -0.06 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 2brj n LEU 45 Cb 0.59 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.20 2brj n LEU 45 CO 0.19 -0.72 0.00 0.61 -1.11 0.00 0.00 177.39 176.36 2brj n GLY 46 N 2.43 1.56 3.75 -3.96 0.00 -1.26 -4.25 105.19 103.46 2brj n GLY 46 Ca 0.14 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.24 7.43 0.01 1.61 1.01 -0.52 -4.23 116.67 121.74 2brj s ASP 47 Ca 0.00 2.05 0.05 0.00 0.71 0.00 0.00 52.55 55.36 2brj s ASP 47 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2brj s ASP 47 CO 0.00 -0.05 -0.16 -0.76 0.21 0.00 0.00 175.17 174.40 2brj s LEU 48 N -0.85 2.09 -0.44 1.23 1.43 -0.61 -1.65 118.68 119.88 2brj s LEU 48 Ca 0.45 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2brj s LEU 48 Cb -0.28 -0.80 0.15 0.00 0.03 0.00 0.00 46.19 45.29 2brj s LEU 48 CO 0.35 0.15 0.29 -0.69 0.23 0.00 0.00 176.35 176.68 2brj s VAL 49 N -0.56 0.98 0.40 -1.59 1.01 0.33 -0.43 120.40 120.54 2brj s VAL 49 Ca 0.05 -2.60 -0.27 0.00 0.00 0.00 0.00 61.98 59.17 2brj s VAL 49 Cb -0.07 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 2brj s VAL 49 CO 0.00 -1.03 1.36 -2.84 0.00 0.00 0.00 175.10 172.59 2brj s PRO 50 N 0.21 4.00 0.12 2.72 0.02 -1.21 -1.27 135.00 139.59 2brj s PRO 50 Ca 0.23 2.29 -0.12 0.00 0.02 0.00 0.00 61.00 63.42 2brj s PRO 50 Cb -0.13 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.57 2brj s PRO 50 CO -0.07 -0.51 0.30 -0.59 -0.33 0.00 0.00 177.00 175.79 2brj s PHE 51 N -1.20 0.05 -0.28 6.54 -0.12 -0.24 -2.37 117.98 120.36 2brj s PHE 51 Ca 0.56 -0.43 -0.11 0.00 -0.05 0.00 0.00 56.93 56.90 2brj s PHE 51 Cb -0.41 0.08 0.11 0.00 -0.63 0.00 0.00 43.02 42.18 2brj s PHE 51 CO 0.53 -0.66 0.63 -0.08 -0.05 0.00 0.00 175.22 175.60 2brj s THR 52 N -3.86 -0.68 0.42 -4.49 -1.32 -1.26 -1.75 115.64 102.70 2brj s THR 52 Ca 0.07 0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.62 2brj s THR 52 Cb 0.03 -0.95 -0.07 0.00 -1.51 0.00 0.00 72.50 70.00 2brj s THR 52 CO -0.09 0.01 0.01 0.20 -2.21 0.00 0.00 174.62 172.54 2brj s ASN 53 N 2.51 3.81 0.35 8.08 0.01 -1.11 -4.72 114.94 123.87 2brj s ASN 53 Ca -0.07 -1.43 -0.13 0.00 -0.71 0.00 0.00 52.86 50.53 2brj s ASN 53 Cb -0.10 -0.20 -0.08 0.00 0.41 0.00 0.00 41.25 41.28 2brj s ASN 53 CO -0.18 -0.54 0.73 -0.54 -1.51 0.00 0.00 177.10 175.06 2brj s LYS 54 N -3.75 3.89 -0.07 -0.60 1.02 -0.51 -0.73 119.74 118.98 2brj s LYS 54 Ca 0.30 0.55 0.03 0.00 0.02 0.00 0.00 55.97 56.86 2brj s LYS 54 Cb 0.08 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.97 2brj s LYS 54 CO 0.15 0.09 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.35 2brj s LEU 55 N -3.34 1.74 0.23 3.17 2.96 -0.06 -0.94 118.68 122.44 2brj s LEU 55 Ca 0.52 -0.35 0.10 0.00 -0.22 0.00 0.00 54.13 54.19 2brj s LEU 55 Cb -0.10 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 2brj s LEU 55 CO 0.24 0.06 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.82 2brj s TYR 56 N 0.59 2.08 0.88 5.38 2.02 0.21 -0.98 117.35 127.52 2brj s TYR 56 Ca -0.15 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.02 2brj s TYR 56 Cb -0.16 -0.95 0.12 0.00 -0.40 0.00 0.00 41.96 40.57 2brj s TYR 56 CO 0.05 0.54 1.17 0.95 -1.57 0.00 0.00 175.55 176.68 2brj s THR 57 N -2.41 2.07 0.49 -0.71 -4.23 -0.05 -1.23 115.64 109.58 2brj s THR 57 Ca 0.24 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.93 2brj s THR 57 Cb -0.05 -2.17 0.25 0.00 1.34 0.00 0.00 72.50 71.87 2brj s THR 57 CO 0.11 -0.03 2.10 1.23 -0.54 0.00 0.00 174.62 177.49 2brj h GLY 58 N -1.55 0.04 0.24 3.99 0.00 -1.55 0.15 103.07 104.39 2brj h GLY 58 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2brj h GLY 58 CO 0.43 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.08 2brj n ASP 59 N -4.48 0.60 0.00 0.19 5.68 -1.26 -1.17 116.55 116.11 2brj n ASP 59 Ca -0.02 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 2brj n ASP 59 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 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 -0.46 0.83 0.11 -2.12 4.77 0.04 -4.64 117.00 115.54 2brj n LEU 60 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2brj n LEU 60 Cb 0.18 -2.07 -0.01 0.00 -2.33 0.00 0.00 43.42 39.19 2brj n LEU 60 CO 0.14 -0.79 0.33 0.11 -1.33 0.00 0.00 177.39 175.85 2brj h LYS 61 N 0.20 0.00 -4.41 3.23 1.57 -1.91 -0.72 116.57 114.53 2brj h LYS 61 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2brj h LYS 61 Cb 0.74 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.77 2brj h LYS 61 CO 0.00 0.57 -0.76 0.15 -0.57 0.00 0.00 179.45 178.84 2brj s LYS 62 N -2.91 0.51 -0.03 3.15 1.02 -1.26 -4.40 119.74 115.82 2brj s LYS 62 Ca 0.03 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 2brj s LYS 62 Cb 0.08 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 2brj s LYS 62 CO 0.77 0.13 1.35 0.50 -0.92 0.00 0.00 175.35 177.17 2brj s ARG 63 N -0.13 4.29 -0.18 1.68 6.06 -0.03 -0.87 118.95 129.78 2brj s ARG 63 Ca 0.02 1.88 0.10 0.00 -2.50 0.00 0.00 55.73 55.23 2brj s ARG 63 Cb -0.03 -3.60 -0.18 0.00 0.06 0.00 0.00 34.95 31.20 2brj s ARG 63 CO -0.00 -0.56 -0.03 1.33 -2.50 0.00 0.00 175.30 173.54 2brj n VAL 64 N 4.73 1.16 0.00 7.11 0.24 -0.15 -1.77 118.33 129.65 2brj n VAL 64 Ca 0.13 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2brj n VAL 64 Cb 0.44 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 2.17 -0.62 3.19 7.63 0.00 -0.94 -2.34 105.19 114.27 2brj n GLY 65 Ca -0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.34 0.15 0.21 -0.61 -4.36 -1.18 -0.88 121.20 113.19 2brj s ILE 66 Ca 0.00 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 2brj s ILE 66 Cb 0.00 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.26 2brj s ILE 66 CO 0.00 -0.70 0.38 0.42 0.24 0.00 0.00 174.94 175.28 2brj s THR 67 N -3.88 5.23 -0.24 8.37 -4.23 0.09 -0.72 115.64 120.26 2brj s THR 67 Ca 0.06 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.90 2brj s THR 67 Cb 0.05 -3.77 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2brj s THR 67 CO -0.10 -0.22 0.57 0.00 -0.54 0.00 0.00 174.62 174.33 2brj s ALA 68 N -1.90 -1.54 0.00 3.99 0.00 -0.50 -2.74 121.76 119.07 2brj s ALA 68 Ca 0.37 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.38 2brj s ALA 68 Cb -0.11 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2brj s ALA 68 CO 0.30 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2brj n GLY 69 N 4.37 -0.60 2.81 0.00 0.00 -0.72 -1.12 105.19 109.94 2brj n GLY 69 Ca -0.21 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 1.18 -0.23 0.99 2.96 -0.43 -1.08 118.68 122.07 2brj s LEU 70 Ca 0.00 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2brj s LEU 70 Cb 0.00 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.48 2brj s LEU 70 CO 0.00 -0.10 0.13 0.00 -1.32 0.00 0.00 176.35 175.05 2brj s VAL 72 N 1.08 5.16 0.18 0.00 1.01 0.13 -0.51 120.40 127.45 2brj s VAL 72 Ca 0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 2brj s VAL 72 Cb -0.14 -3.54 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2brj s VAL 72 CO 0.04 0.15 1.41 -0.69 0.00 0.00 0.00 175.10 176.01 2brj s VAL 73 N 1.72 3.02 -0.23 2.92 1.01 -0.66 -0.49 120.40 127.71 2brj s VAL 73 Ca 0.06 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 2brj s VAL 73 Cb -0.17 -3.51 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2brj s VAL 73 CO 0.10 0.09 -0.25 -0.38 0.00 0.00 0.00 175.10 174.66 2brj n ILE 74 N 3.22 1.26 -3.51 2.22 2.08 -0.13 -4.14 119.36 120.37 2brj n ILE 74 Ca 0.09 -0.39 -0.11 0.00 0.56 0.00 0.00 62.75 62.90 2brj n ILE 74 Cb 0.41 -1.58 -0.04 0.00 -0.75 0.00 0.00 39.64 37.69 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 -2.43 0.87 0.22 0.38 -1.05 -1.16 -3.90 118.70 111.64 2brj s GLU 75 Ca -0.31 -0.10 -0.25 0.00 -0.15 0.00 0.00 54.97 54.15 2brj s GLU 75 Cb 0.10 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 2brj s GLU 75 CO 0.45 -0.34 0.83 -1.58 0.95 0.00 0.00 175.26 175.58 2brj s HIS 76 N -2.32 3.83 -0.66 4.83 5.65 -1.25 -1.38 115.29 124.00 2brj s HIS 76 Ca -0.00 1.68 0.03 0.00 0.25 0.00 0.00 55.06 57.02 2brj s HIS 76 Cb -0.01 -2.81 0.16 0.00 -1.18 0.00 0.00 32.58 28.74 2brj s HIS 76 CO -0.03 0.41 0.45 0.08 -0.65 0.00 0.00 174.74 174.99 2brj s VAL 77 N -1.32 3.03 0.38 0.89 1.01 0.78 -4.91 120.40 120.26 2brj s VAL 77 Ca 0.41 -3.83 0.08 0.00 0.00 0.00 0.00 61.98 58.65 2brj s VAL 77 Cb -0.22 -3.00 0.18 0.00 0.00 0.00 0.00 36.38 33.34 2brj s VAL 77 CO 0.26 -0.94 1.93 1.55 0.00 0.00 0.00 175.10 177.90 2brj h PRO 78 N 5.95 0.34 0.00 2.72 0.13 -1.97 -1.81 132.00 137.36 2brj h PRO 78 Ca 0.06 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2brj h PRO 78 Cb 0.82 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 2brj h PRO 78 CO 0.72 0.40 -0.04 0.93 -0.23 0.00 0.00 178.00 179.79 2brj h GLU 79 N 0.33 0.00 -0.20 0.86 3.07 -1.93 -2.10 114.58 114.60 2brj h GLU 79 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2brj h GLU 79 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2brj h GLU 79 CO 0.01 0.04 0.00 1.63 -1.40 0.00 0.00 179.01 179.29 2brj n LYS 80 N -3.82 1.81 -3.98 2.33 4.76 -0.73 -5.00 118.16 113.53 2brj n LYS 80 Ca -0.03 -1.67 -0.28 0.00 -2.87 0.00 0.00 58.31 53.47 2brj n LYS 80 Cb 0.13 -1.26 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.63 -2.60 -1.58 1.97 4.01 -0.79 -4.85 118.16 114.94 2brj n LYS 81 Ca 0.10 0.35 -0.01 0.00 -0.51 0.00 0.00 58.31 58.24 2brj n LYS 81 Cb 0.37 -4.25 0.00 0.00 -0.51 0.00 0.00 35.03 30.64 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 -2.04 1.63 3.33 0.72 0.00 -0.97 -4.91 105.19 102.95 2brj n GLY 82 Ca -0.28 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.01 1.25 -0.22 1.61 0.41 -1.26 -0.16 118.70 118.31 2brj s GLU 83 Ca 0.03 -1.31 -0.08 0.00 -0.41 0.00 0.00 54.97 53.20 2brj s GLU 83 Cb -0.01 -1.47 -0.04 0.00 -1.78 0.00 0.00 34.13 30.83 2brj s GLU 83 CO 0.02 0.33 0.09 0.50 -0.49 0.00 0.00 175.26 175.70 2brj s ARG 84 N -2.32 3.85 0.21 1.61 3.52 -0.48 -1.59 118.95 123.76 2brj s ARG 84 Ca 0.12 -0.39 0.09 0.00 -0.13 0.00 0.00 55.73 55.42 2brj s ARG 84 Cb -0.08 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2brj s ARG 84 CO 0.06 0.02 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.48 2brj s PHE 85 N 1.08 2.74 -0.20 5.12 0.08 -0.01 -0.95 117.98 125.83 2brj s PHE 85 Ca 0.05 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.88 2brj s PHE 85 Cb -0.14 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2brj s PHE 85 CO 0.04 0.55 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.65 2brj s GLU 86 N -3.18 3.36 -0.05 0.44 2.56 0.36 -1.63 118.70 120.56 2brj s GLU 86 Ca 0.28 -0.64 0.04 0.00 0.00 0.00 0.00 54.97 54.65 2brj s GLU 86 Cb -0.08 -2.93 -0.02 0.00 2.00 0.00 0.00 34.13 33.09 2brj s GLU 86 CO 0.18 -0.13 -0.17 0.00 -0.56 0.00 0.00 175.26 174.58 2brj s ALA 87 N 1.29 2.54 -0.20 6.30 0.00 0.24 -0.70 121.76 131.23 2brj s ALA 87 Ca 0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2brj s ALA 87 Cb -0.14 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.14 2brj s ALA 87 CO -0.03 0.52 -0.00 0.99 0.00 0.00 0.00 175.76 177.24 2brj s THR 88 N -0.59 0.89 0.23 0.00 2.01 -0.61 -1.79 115.64 115.79 2brj s THR 88 Ca 0.08 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 2brj s THR 88 Cb -0.11 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.16 2brj s THR 88 CO 0.01 -0.13 0.74 -0.72 -0.69 0.00 0.00 174.62 173.84 2brj s TYR 89 N 1.69 -0.24 0.21 4.92 1.13 -1.06 -1.32 117.35 122.69 2brj s TYR 89 Ca -0.02 -0.15 0.09 0.00 -1.41 0.00 0.00 57.07 55.58 2brj s TYR 89 Cb -0.17 0.67 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 2brj s TYR 89 CO -0.07 -1.09 -0.18 -1.12 -2.51 0.00 0.00 175.55 170.57 2brj s SER 90 N -2.88 2.97 -0.18 -0.18 0.01 -0.27 -1.04 113.70 112.12 2brj s SER 90 Ca 0.09 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2brj s SER 90 Cb -0.04 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.00 2brj s SER 90 CO 0.03 -0.05 -0.17 -0.36 0.41 0.00 0.00 173.24 173.10 2brj s PHE 91 N -2.47 2.81 -0.16 2.43 0.08 0.68 -1.41 117.98 119.94 2brj s PHE 91 Ca 0.23 -1.47 -0.06 0.00 0.12 0.00 0.00 56.93 55.75 2brj s PHE 91 Cb -0.04 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 2brj s PHE 91 CO 0.09 -0.73 0.04 0.71 -0.10 0.00 0.00 175.22 175.23 2brj s TYR 92 N 1.27 3.21 -0.48 0.36 2.02 0.10 -1.38 117.35 122.45 2brj s TYR 92 Ca 0.04 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 2brj s TYR 92 Cb -0.14 -2.02 0.39 0.00 -0.40 0.00 0.00 41.96 39.80 2brj s TYR 92 CO -0.10 0.17 1.03 1.19 -1.57 0.00 0.00 175.55 176.27 2brj n PHE 93 N 3.34 3.41 -0.93 2.71 3.72 -0.23 -3.11 117.46 126.36 2brj n PHE 93 Ca -0.17 -3.42 0.00 0.00 -0.05 0.00 0.00 57.45 53.80 2brj n PHE 93 Cb 0.52 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.35 3.23 0.00 1.37 0.00 -0.99 -1.43 105.19 107.01 2brj n GLY 94 Ca 0.34 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.34 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 3.29 0.00 0.10 1.61 8.00 -1.26 -3.31 116.55 124.98 2brj n ASP 95 Ca 0.00 0.47 -0.00 0.00 0.71 0.00 0.00 54.79 55.97 2brj n ASP 95 Cb 0.00 -0.49 0.30 0.00 -0.02 0.00 0.00 41.12 40.91 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 0.29 0.00 1.24 0.05 -1.59 -3.46 116.97 113.49 2brj h TYR 96 Ca 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2brj h TYR 96 Cb 0.42 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2brj h TYR 96 CO 0.00 0.51 0.00 0.41 -1.05 0.00 0.00 178.16 178.03 2brj n GLY 97 N -0.53 0.53 3.24 3.88 0.00 -1.21 -0.38 105.19 110.72 2brj n GLY 97 Ca -0.01 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.16 0.11 -0.01 1.61 -3.43 -1.11 -1.07 115.29 110.23 2brj s HIS 98 Ca 0.00 -0.51 0.07 0.00 -0.80 0.00 0.00 55.06 53.82 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 -0.59 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.41 2brj s LEU 99 N -2.86 2.27 0.08 5.38 1.43 -0.48 -1.41 118.68 123.09 2brj s LEU 99 Ca 0.06 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2brj s LEU 99 Cb 0.04 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 2brj s LEU 99 CO -0.10 0.31 -0.18 -0.44 0.23 0.00 0.00 176.35 176.17 2brj s SER 100 N -0.84 3.85 0.07 2.29 0.01 -0.26 -0.23 113.70 118.59 2brj s SER 100 Ca 0.11 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2brj s SER 100 Cb -0.10 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 2brj s SER 100 CO 0.01 0.21 -0.04 0.68 0.41 0.00 0.00 173.24 174.51 2brj s VAL 101 N -1.04 0.38 -0.12 3.43 -7.23 -0.20 -0.85 120.40 114.76 2brj s VAL 101 Ca 0.16 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2brj s VAL 101 Cb -0.11 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.32 2brj s VAL 101 CO 0.08 -0.95 0.29 -1.58 -0.31 0.00 0.00 175.10 172.62 2brj s GLN 102 N -3.86 0.26 0.00 4.82 0.74 -0.52 -2.56 119.66 118.53 2brj s GLN 102 Ca 0.08 0.57 0.00 0.00 0.05 0.00 0.00 55.36 56.06 2brj s GLN 102 Cb 0.07 -0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.11 2brj s GLN 102 CO -0.08 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 2brj n GLY 103 N 4.07 -0.14 3.77 2.59 0.00 -0.74 -0.75 105.19 113.99 2brj n GLY 103 Ca -0.23 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 4.64 -0.32 1.61 0.04 -1.26 -0.59 135.00 137.11 2brj s PRO 104 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2brj s PRO 104 Cb 0.00 -3.21 0.10 0.00 0.04 0.00 0.00 34.50 31.43 2brj s PRO 104 CO 0.00 0.53 0.10 -0.47 0.04 0.00 0.00 177.00 177.19 2brj s TYR 105 N -1.21 2.01 -0.21 0.56 5.04 -0.65 -4.64 117.35 118.24 2brj s TYR 105 Ca 0.39 -1.95 -0.07 0.00 -2.44 0.00 0.00 57.07 53.00 2brj s TYR 105 Cb -0.23 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 2brj s TYR 105 CO 0.27 -0.88 0.05 -0.51 -1.34 0.00 0.00 175.55 173.14 2brj s LEU 106 N 1.46 3.52 0.26 6.97 1.43 -1.26 -0.83 118.68 130.23 2brj s LEU 106 Ca 0.10 -0.11 0.22 0.00 -1.03 0.00 0.00 54.13 53.32 2brj s LEU 106 Cb -0.18 -1.91 0.99 0.00 0.03 0.00 0.00 46.19 45.12 2brj s LEU 106 CO -0.22 0.06 1.68 0.35 0.23 0.00 0.00 176.35 178.45 2brj n THR 107 N 4.29 0.90 0.52 5.49 -2.24 -0.62 -3.25 114.28 119.37 2brj n THR 107 Ca -0.16 0.34 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 2brj n THR 107 Cb 0.52 -1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.20 0.00 -3.58 4.78 4.11 -1.26 -4.94 117.16 114.07 2brj n TYR 108 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.81 2brj n TYR 108 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.50 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 -1.76 1.45 0.74 -3.48 -1.05 -1.20 -5.12 118.70 108.27 2brj s GLU 109 Ca 0.07 -0.66 -0.14 0.00 -0.15 0.00 0.00 54.97 54.08 2brj s GLU 109 Cb 0.09 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.41 2brj s GLU 109 CO 0.37 -0.64 1.18 -0.51 0.95 0.00 0.00 175.26 176.61 2brj s ASP 110 N -2.81 4.24 0.29 0.83 1.01 -1.26 -4.39 116.67 114.58 2brj s ASP 110 Ca 0.05 2.26 -0.05 0.00 0.71 0.00 0.00 52.55 55.52 2brj s ASP 110 Cb -0.03 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2brj s ASP 110 CO -0.06 -2.23 0.42 -0.94 0.21 0.00 0.00 175.17 172.57 2brj s SER 111 N -2.23 0.49 -0.07 0.27 1.04 -0.81 -4.94 113.70 107.44 2brj s SER 111 Ca 0.72 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2brj s SER 111 Cb -0.27 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2brj s SER 111 CO 0.46 -1.17 -0.21 -0.36 0.98 0.00 0.00 173.24 172.94 2brj s PHE 112 N -3.54 2.18 0.18 5.02 0.08 -1.26 -0.54 117.98 120.10 2brj s PHE 112 Ca 0.29 -0.79 0.07 0.00 0.12 0.00 0.00 56.93 56.63 2brj s PHE 112 Cb 0.01 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2brj s PHE 112 CO 0.16 -0.30 0.03 -0.51 -0.10 0.00 0.00 175.22 174.49 2brj s LEU 113 N 0.24 3.40 0.18 -0.37 1.02 0.03 -4.38 118.68 118.80 2brj s LEU 113 Ca -0.12 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.37 2brj s LEU 113 Cb -0.16 -2.04 -0.08 0.00 0.02 0.00 0.00 46.19 43.94 2brj s LEU 113 CO 0.06 0.08 1.01 0.00 0.02 0.00 0.00 176.35 177.51 2brj s ALA 114 N -1.77 3.32 -0.45 4.21 0.00 0.07 -1.22 121.76 125.92 2brj s ALA 114 Ca 0.28 0.69 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 2brj s ALA 114 Cb -0.09 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2brj s ALA 114 CO 0.20 -0.02 0.94 0.42 0.00 0.00 0.00 175.76 177.29 2brj s ILE 115 N -0.51 4.47 -0.60 0.00 1.01 -0.01 -1.44 121.20 124.12 2brj s ILE 115 Ca 0.46 0.81 0.24 0.00 0.00 0.00 0.00 60.65 62.16 2brj s ILE 115 Cb -0.27 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 37.84 2brj s ILE 115 CO 0.33 -0.81 1.33 0.71 0.00 0.00 0.00 174.94 176.50 2brj h THR 116 N 6.06 0.00 0.00 2.92 1.35 -1.30 -3.37 112.91 118.58 2brj h THR 116 Ca -0.24 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2brj h THR 116 Cb 1.08 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2brj h THR 116 CO 1.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.91 2brj n GLY 117 N 1.31 -2.02 3.76 5.82 0.00 -1.23 -4.99 105.19 107.84 2brj n GLY 117 Ca 0.03 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 2brj n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brj s GLY 118 N 0.00 0.51 0.17 -0.02 0.00 -1.24 -1.10 107.32 105.64 2brj s GLY 118 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 2brj s GLY 118 CO 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 173.10 172.83 2brj s ALA 119 N -2.60 0.88 0.00 3.20 0.00 -0.50 -4.12 121.76 118.62 2brj s ALA 119 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2brj s ALA 119 Cb -0.04 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2brj s ALA 119 CO 0.12 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2brj n GLY 120 N -0.20 2.03 0.16 0.00 0.00 -1.26 -1.98 105.19 103.95 2brj n GLY 120 Ca -0.02 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.44 -0.61 3.07 -1.04 -2.17 117.51 116.32 2brj h ILE 121 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2brj h ILE 121 Cb 0.00 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 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 -2.33 0.58 -1.64 0.16 3.72 -0.84 -4.55 117.46 112.56 2brj n PHE 122 Ca 0.00 -0.29 -0.47 0.00 -0.05 0.00 0.00 57.45 56.64 2brj n PHE 122 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.11 1.77 -0.55 -1.08 2.13 -0.82 -1.43 120.64 121.77 2brj n GLU 123 Ca 0.19 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2brj n GLU 123 Cb 0.49 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2brj n GLU 123 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2brj n GLY 124 N 2.70 0.96 3.73 8.31 0.00 -1.26 -4.39 105.19 115.24 2brj n GLY 124 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.18 2.09 -3.06 4.61 0.00 -0.52 -4.40 120.51 119.05 2brj n ALA 125 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 2brj n ALA 125 Cb 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 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 -0.40 0.35 -1.72 0.00 -0.85 -0.46 -3.98 117.35 110.30 2brj s TYR 126 Ca 0.61 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2brj s TYR 126 Cb -0.53 0.13 0.00 0.00 0.38 0.00 0.00 41.96 41.94 2brj s TYR 126 CO 0.54 -0.92 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 2brj n GLY 127 N -0.34 0.57 3.27 5.49 0.00 -1.26 -1.21 105.19 111.71 2brj n GLY 127 Ca -0.03 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.69 1.15 -0.03 1.61 -2.07 -1.26 -0.83 119.66 117.53 2brj s GLN 128 Ca 0.00 -1.52 0.03 0.00 -1.82 0.00 0.00 55.36 52.05 2brj s GLN 128 Cb 0.00 -0.63 0.01 0.00 -1.09 0.00 0.00 33.01 31.30 2brj s GLN 128 CO 0.00 0.03 -0.10 0.54 -1.32 0.00 0.00 175.29 174.44 2brj s VAL 129 N -3.35 0.88 -0.14 3.63 0.11 -0.36 -1.29 120.40 119.89 2brj s VAL 129 Ca 0.20 -0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 58.66 2brj s VAL 129 Cb 0.03 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2brj s VAL 129 CO 0.03 0.28 0.54 -0.75 -3.33 0.00 0.00 175.10 171.87 2brj s LYS 130 N 0.28 4.31 -0.22 1.54 2.20 -0.11 -0.79 119.74 126.95 2brj s LYS 130 Ca -0.05 0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 56.03 2brj s LYS 130 Cb -0.10 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2brj s LYS 130 CO 0.01 0.03 0.05 -1.17 -0.36 0.00 0.00 175.35 173.90 2brj s LEU 131 N 1.03 3.45 -0.15 5.43 0.20 0.30 -1.58 118.68 127.36 2brj s LEU 131 Ca 0.28 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.97 2brj s LEU 131 Cb -0.16 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 2brj s LEU 131 CO 0.11 0.04 -0.21 -1.10 -0.29 0.00 0.00 176.35 174.90 2brj s GLN 132 N 1.19 3.00 -0.27 1.98 -0.21 -0.00 -1.92 119.66 123.42 2brj s GLN 132 Ca 0.04 -0.84 -0.19 0.00 0.02 0.00 0.00 55.36 54.39 2brj s GLN 132 Cb -0.14 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 2brj s GLN 132 CO 0.03 -0.08 0.55 -1.14 -2.12 0.00 0.00 175.29 172.52 2brj s GLN 133 N 0.98 4.01 -0.23 2.91 0.74 -1.26 -0.71 119.66 126.09 2brj s GLN 133 Ca -0.03 0.30 -0.11 0.00 0.05 0.00 0.00 55.36 55.57 2brj s GLN 133 Cb -0.15 -3.68 -0.17 0.00 1.10 0.00 0.00 33.01 30.11 2brj s GLN 133 CO -0.06 -0.42 -0.06 1.28 -0.55 0.00 0.00 175.29 175.48 2brj n LEU 134 N 5.63 2.27 -3.77 3.68 4.77 -0.12 -4.85 117.00 124.62 2brj n LEU 134 Ca -0.03 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.94 2brj n LEU 134 Cb 0.49 -0.93 -0.17 0.00 -2.33 0.00 0.00 43.42 40.48 2brj n LEU 134 CO 0.42 0.63 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.04 2brj s VAL 135 N -2.48 0.40 -0.10 4.08 1.01 -0.90 -4.54 120.40 117.86 2brj s VAL 135 Ca -0.33 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2brj s VAL 135 Cb 0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2brj s VAL 135 CO 0.59 0.20 1.05 -0.47 0.00 0.00 0.00 175.10 176.47 2brj s TYR 136 N 1.95 3.43 -0.69 5.22 5.04 -1.26 -0.57 117.35 130.48 2brj s TYR 136 Ca 0.04 1.51 0.16 0.00 -2.44 0.00 0.00 57.07 56.34 2brj s TYR 136 Cb -0.13 -3.24 0.58 0.00 0.35 0.00 0.00 41.96 39.51 2brj s TYR 136 CO -0.06 -0.47 1.49 -0.35 -1.34 0.00 0.00 175.55 174.83 2brj n PRO 137 N 5.13 3.39 0.02 4.97 -0.04 -1.26 -4.96 135.00 142.26 2brj n PRO 137 Ca 0.09 -2.71 0.11 0.00 -0.04 0.00 0.00 63.50 60.95 2brj n PRO 137 Cb 0.48 -1.77 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.41 0.15 -3.83 0.52 -2.24 0.27 -4.73 114.28 104.83 2brj n THR 138 Ca 0.21 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2brj n THR 138 Cb 0.82 0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.97 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 -3.35 0.80 0.07 -0.78 1.02 -0.43 -0.52 119.74 116.54 2brj s LYS 139 Ca -0.02 0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.05 2brj s LYS 139 Cb 0.14 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 2brj s LYS 139 CO 0.86 -0.28 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.35 2brj s LEU 140 N 1.83 2.26 -0.07 3.17 1.43 0.01 -0.94 118.68 126.37 2brj s LEU 140 Ca 0.04 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2brj s LEU 140 Cb -0.12 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.53 2brj s LEU 140 CO -0.05 -0.04 -0.17 0.12 0.23 0.00 0.00 176.35 176.43 2brj s PHE 141 N -1.20 1.83 0.05 0.29 5.36 0.11 -0.87 117.98 123.55 2brj s PHE 141 Ca -0.00 -0.66 0.09 0.00 -0.96 0.00 0.00 56.93 55.40 2brj s PHE 141 Cb -0.10 -1.27 -0.03 0.00 -0.34 0.00 0.00 43.02 41.29 2brj s PHE 141 CO 0.02 -0.28 -0.25 0.71 -1.46 0.00 0.00 175.22 173.96 2brj s TYR 142 N 0.39 2.20 -0.25 10.12 1.51 -0.22 -0.82 117.35 130.27 2brj s TYR 142 Ca -0.13 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2brj s TYR 142 Cb -0.15 -1.31 0.07 0.00 -0.11 0.00 0.00 41.96 40.46 2brj s TYR 142 CO 0.05 0.13 -0.02 0.99 -1.11 0.00 0.00 175.55 175.59 2brj s THR 143 N -0.82 1.42 -0.06 -0.71 2.01 -0.61 -1.73 115.64 115.14 2brj s THR 143 Ca 0.11 -1.27 -0.27 0.00 0.31 0.00 0.00 61.69 60.57 2brj s THR 143 Cb -0.10 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2brj s THR 143 CO 0.02 -0.22 0.87 -0.36 -0.69 0.00 0.00 174.62 174.24 2brj s PHE 144 N 1.42 3.58 -1.10 4.92 0.40 0.81 -0.93 117.98 127.08 2brj s PHE 144 Ca -0.02 1.47 -0.08 0.00 -0.60 0.00 0.00 56.93 57.70 2brj s PHE 144 Cb -0.19 -3.00 0.28 0.00 0.51 0.00 0.00 43.02 40.62 2brj s PHE 144 CO -0.09 -0.03 1.14 0.66 0.70 0.00 0.00 175.22 177.61 2brj n TYR 145 N 4.16 4.88 -2.71 0.36 4.01 -0.41 -1.41 117.16 126.03 2brj n TYR 145 Ca 0.04 -3.77 -0.42 0.00 -0.16 0.00 0.00 57.90 53.58 2brj n TYR 145 Cb 0.51 -1.62 -0.03 0.00 -0.31 0.00 0.00 39.34 37.89 2brj n TYR 145 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2brj s LEU 146 N -1.49 4.17 0.28 7.72 1.43 -0.52 -4.10 118.68 126.18 2brj s LEU 146 Ca 0.31 1.40 0.10 0.00 -1.03 0.00 0.00 54.13 54.91 2brj s LEU 146 Cb -0.08 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2brj s LEU 146 CO -0.06 -0.53 -0.05 -0.54 0.23 0.00 0.00 176.35 175.40 2brj s LYS 147 N 2.53 2.13 0.00 1.70 1.02 -0.35 -0.79 119.74 125.98 2brj s LYS 147 Ca 0.45 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.91 2brj s LYS 147 Cb -0.17 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 2brj s LYS 147 CO 0.12 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 2brj n GLY 148 N -0.84 0.99 3.78 -3.33 0.00 -1.26 -1.35 105.19 103.18 2brj n GLY 148 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 3.98 0.31 0.99 1.43 -1.26 -4.42 118.68 119.71 2brj s LEU 149 Ca 0.00 2.20 0.14 0.00 -1.03 0.00 0.00 54.13 55.44 2brj s LEU 149 Cb 0.00 -4.31 0.48 0.00 0.03 0.00 0.00 46.19 42.39 2brj s LEU 149 CO 0.00 -0.87 1.66 0.00 0.23 0.00 0.00 176.35 177.36 2brj h ALA 150 N 1.95 0.97 -2.43 4.21 0.00 -1.80 -3.47 119.26 118.69 2brj h ALA 150 Ca -0.49 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 53.77 2brj h ALA 150 Cb 1.24 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 2brj h ALA 150 CO 0.60 0.64 -0.64 -0.80 0.00 0.00 0.00 179.25 179.06 2brj s ASN 151 N -6.66 0.30 0.35 0.00 0.01 -1.26 -5.13 114.94 102.55 2brj s ASN 151 Ca -0.01 -1.20 -0.28 0.00 -0.71 0.00 0.00 52.86 50.66 2brj s ASN 151 Cb 0.12 0.30 -0.12 0.00 0.41 0.00 0.00 41.25 41.96 2brj s ASN 151 CO 0.73 -0.73 1.47 0.47 -1.51 0.00 0.00 177.10 177.52 2brj n ASP 152 N -0.10 3.56 -4.76 -1.22 8.00 -1.26 -4.95 116.55 115.82 2brj n ASP 152 Ca -0.06 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.26 2brj n ASP 152 Cb 0.64 -1.58 0.03 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.48 4.00 0.49 0.64 1.43 -1.26 -4.95 118.68 117.56 2brj s LEU 153 Ca 0.56 2.87 -0.24 0.00 -1.03 0.00 0.00 54.13 56.29 2brj s LEU 153 Cb -0.50 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 2brj s LEU 153 CO 0.60 -1.35 1.40 -2.16 0.23 0.00 0.00 176.35 175.07 2brj s PRO 154 N -2.64 3.48 0.42 1.29 0.04 -1.26 -4.91 135.00 131.42 2brj s PRO 154 Ca 0.65 2.35 0.09 0.00 0.04 0.00 0.00 61.00 64.13 2brj s PRO 154 Cb -0.43 -2.50 0.91 0.00 0.04 0.00 0.00 34.50 32.52 2brj s PRO 154 CO 0.53 -0.96 2.04 -0.07 0.04 0.00 0.00 177.00 178.58 2brj h LEU 155 N 2.00 0.32 -0.39 -3.56 3.38 -1.97 -1.93 115.31 113.17 2brj h LEU 155 Ca -0.51 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2brj h LEU 155 Cb 1.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2brj h LEU 155 CO 0.60 0.29 0.00 -1.84 0.09 0.00 0.00 178.44 177.58 2brj n GLU 156 N -4.43 0.11 0.01 1.13 0.28 -1.26 -1.68 120.64 114.79 2brj n GLU 156 Ca 0.01 0.35 0.11 0.00 -0.16 0.00 0.00 57.16 57.47 2brj n GLU 156 Cb 0.12 -1.70 -0.02 0.00 1.43 0.00 0.00 31.44 31.27 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 -1.90 0.71 -0.58 -1.84 4.77 -0.73 -4.56 117.00 112.87 2brj n LEU 157 Ca 0.03 -0.23 0.06 0.00 -0.03 0.00 0.00 56.01 55.83 2brj n LEU 157 Cb 0.20 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.41 2brj n LEU 157 CO 0.17 0.15 0.57 0.35 -1.33 0.00 0.00 177.39 177.29 2brj n THR 158 N -1.70 2.18 -1.73 -5.08 -2.24 -0.68 -4.65 114.28 100.37 2brj n THR 158 Ca 0.03 -2.55 -0.38 0.00 -2.27 0.00 0.00 64.05 58.88 2brj n THR 158 Cb 0.38 -0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.12 0.66 3.70 3.38 0.00 -1.21 -4.84 105.19 105.76 2brj n GLY 159 Ca 0.21 -0.01 -0.55 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.22 0.39 -1.89 2.61 -1.04 -1.26 -4.24 114.28 107.63 2brj n THR 160 Ca 0.12 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 2brj n THR 160 Cb 0.45 -1.42 0.03 0.00 -1.82 0.00 0.00 70.33 67.57 2brj n THR 160 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2brj s PRO 161 N 3.74 3.32 0.14 -2.82 0.04 -1.26 -4.17 135.00 133.98 2brj s PRO 161 Ca 0.97 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.85 2brj s PRO 161 Cb -0.96 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 2brj s PRO 161 CO 0.62 -1.02 1.48 0.08 0.04 0.00 0.00 177.00 178.20 2brj s VAL 162 N -1.34 2.95 0.24 -0.36 1.01 -0.31 -4.86 120.40 117.72 2brj s VAL 162 Ca 0.69 0.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.03 2brj s VAL 162 Cb -0.38 -3.43 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 2brj s VAL 162 CO 0.46 0.05 1.60 -2.65 0.00 0.00 0.00 175.10 174.56 2brj n PRO 163 N 3.97 2.52 -1.90 2.72 -0.02 -1.26 -4.89 135.00 136.14 2brj n PRO 163 Ca 0.13 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.09 2brj n PRO 163 Cb 0.40 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 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 0.23 4.20 0.26 0.52 0.04 -1.26 -4.96 135.00 134.03 2brj s PRO 164 Ca 0.70 2.40 -0.15 0.00 0.04 0.00 0.00 61.00 63.99 2brj s PRO 164 Cb -0.55 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2brj s PRO 164 CO 0.42 -0.64 0.54 -1.54 0.04 0.00 0.00 177.00 175.82 2brj s SER 165 N 1.28 -0.13 0.58 6.66 1.04 -1.26 -5.04 113.70 116.84 2brj s SER 165 Ca 0.71 -0.86 0.38 0.00 0.48 0.00 0.00 55.95 56.67 2brj s SER 165 Cb -0.44 0.62 1.83 0.00 0.10 0.00 0.00 66.02 68.13 2brj s SER 165 CO 0.31 -1.19 2.14 0.11 0.98 0.00 0.00 173.24 175.59 2brj h LYS 166 N 2.19 0.00 -0.02 4.02 1.57 -1.95 -3.08 116.57 119.30 2brj h LYS 166 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 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 0.32 0.00 -0.14 -0.25 -0.57 0.00 0.00 179.45 178.81 2brj n ASP 167 N -3.02 2.13 -4.74 0.86 8.00 -1.26 -4.89 116.55 113.62 2brj n ASP 167 Ca -0.01 -1.61 -0.37 0.00 0.71 0.00 0.00 54.79 53.51 2brj n ASP 167 Cb 0.19 0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.17 2.28 -0.03 0.53 -5.25 -1.17 -5.04 121.20 110.35 2brj s ILE 168 Ca 0.28 0.18 -0.06 0.00 -0.99 0.00 0.00 60.65 60.07 2brj s ILE 168 Cb 0.20 -3.08 0.01 0.00 2.95 0.00 0.00 42.46 42.54 2brj s ILE 168 CO 0.40 -0.03 0.14 -1.61 -1.79 0.00 0.00 174.94 172.05 2brj s GLU 169 N -3.22 0.30 0.59 0.37 0.41 -1.26 -5.08 118.70 110.81 2brj s GLU 169 Ca 0.78 -0.06 -0.20 0.00 -0.41 0.00 0.00 54.97 55.07 2brj s GLU 169 Cb -0.36 0.13 -0.04 0.00 -1.78 0.00 0.00 34.13 32.09 2brj s GLU 169 CO 0.39 -0.06 1.29 -0.35 -0.49 0.00 0.00 175.26 176.04 2brj n PRO 170 N 2.33 1.41 -1.62 0.39 -0.04 -1.26 -4.93 135.00 131.28 2brj n PRO 170 Ca -0.17 0.53 -0.45 0.00 -0.04 0.00 0.00 63.50 63.37 2brj n PRO 170 Cb 0.57 -2.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2brj n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2brj n ALA 171 N -1.40 0.16 -0.26 0.55 0.00 -0.28 -4.74 120.51 114.55 2brj n ALA 171 Ca 0.13 0.39 0.15 0.00 0.00 0.00 0.00 53.44 54.11 2brj n ALA 171 Cb 0.46 -2.09 0.43 0.00 0.00 0.00 0.00 19.45 18.25 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 2.42 0.56 -0.27 0.00 0.11 -1.91 -0.34 132.00 132.56 2brj h PRO 172 Ca -0.42 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2brj h PRO 172 Cb 1.32 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2brj h PRO 172 CO 0.63 0.37 -0.02 1.05 -0.21 0.00 0.00 178.00 179.82 2brj h GLU 173 N 0.57 0.41 -0.10 1.05 9.09 -1.92 -0.61 114.58 123.08 2brj h GLU 173 Ca 0.46 -0.08 -0.16 0.00 0.05 0.00 0.00 59.36 59.63 2brj h GLU 173 Cb 0.90 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.94 2brj h GLU 173 CO -0.20 0.46 -0.55 0.00 0.05 0.00 0.00 179.01 178.77 2brj h ALA 174 N 1.59 0.20 -0.92 1.06 0.00 -1.24 -1.34 119.26 118.60 2brj h ALA 174 Ca 0.09 -0.52 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2brj h ALA 174 Cb 0.29 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2brj h ALA 174 CO 0.01 0.41 0.60 0.87 0.00 0.00 0.00 179.25 181.15 2brj h LYS 175 N 0.15 1.11 -0.00 0.00 1.57 -1.07 -2.57 116.57 115.75 2brj h LYS 175 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2brj h LYS 175 Cb 1.20 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2brj h LYS 175 CO 0.11 0.73 -0.07 0.00 -0.57 0.00 0.00 179.45 179.65 2brj n ALA 176 N -2.39 2.67 -2.30 3.86 0.00 -0.26 -4.93 120.51 117.16 2brj n ALA 176 Ca 0.12 -0.22 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 2brj n ALA 176 Cb 0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.09 -1.73 -4.78 0.00 4.77 -0.89 -4.99 117.00 108.28 2brj n LEU 177 Ca 0.14 -0.01 -0.35 0.00 -0.03 0.00 0.00 56.01 55.77 2brj n LEU 177 Cb 0.26 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 2brj n LEU 177 CO 0.24 -0.18 0.76 -1.61 -1.33 0.00 0.00 177.39 175.27 2brj s GLU 178 N -4.79 3.36 0.30 3.23 0.41 -0.56 -4.88 118.70 115.78 2brj s GLU 178 Ca 0.00 1.53 0.06 0.00 -0.41 0.00 0.00 54.97 56.15 2brj s GLU 178 Cb 0.00 -2.01 0.77 0.00 -1.78 0.00 0.00 34.13 31.11 2brj s GLU 178 CO 0.00 -0.83 1.75 -1.35 -0.49 0.00 0.00 175.26 174.35 2brj h PRO 179 N 1.08 0.64 0.00 0.39 0.11 -1.92 0.14 132.00 132.45 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 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2brj h PRO 179 CO 0.57 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 2brj h SER 180 N 0.66 0.00 -0.39 -2.05 4.64 -1.92 -3.07 113.55 111.43 2brj h SER 180 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2brj h SER 180 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2brj h SER 180 CO -0.43 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.14 2brj n GLY 181 N 0.05 2.99 3.09 -0.77 0.00 0.47 -4.87 105.19 106.15 2brj n GLY 181 Ca 0.02 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.43 0.53 0.50 1.61 -7.23 -1.08 -0.85 120.40 112.45 2brj s VAL 182 Ca 0.31 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.01 2brj s VAL 182 Cb 0.19 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 36.12 2brj s VAL 182 CO 0.17 -0.58 0.88 0.27 -0.31 0.00 0.00 175.10 175.53 2brj s ILE 183 N -2.23 4.75 0.11 -0.62 -4.36 -0.73 -4.88 121.20 113.25 2brj s ILE 183 Ca -0.03 0.70 -0.34 0.00 -0.26 0.00 0.00 60.65 60.72 2brj s ILE 183 Cb -0.04 -3.80 -0.14 0.00 1.25 0.00 0.00 42.46 39.73 2brj s ILE 183 CO -0.02 -0.80 1.63 -0.24 0.24 0.00 0.00 174.94 175.75 2brj n SER 184 N -1.96 3.12 -3.95 4.36 2.88 -1.26 -2.20 113.62 114.61 2brj n SER 184 Ca 0.04 1.06 -0.31 0.00 -1.33 0.00 0.00 58.87 58.33 2brj n SER 184 Cb 0.54 -1.41 0.02 0.00 -0.75 0.00 0.00 64.21 62.61 2brj n SER 184 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2brj n ASN 185 N 3.99 -4.66 -4.51 -3.46 3.02 -1.26 -4.02 115.26 104.36 2brj n ASN 185 Ca 0.18 -0.81 -0.44 0.00 -0.03 0.00 0.00 54.58 53.49 2brj n ASN 185 Cb 0.29 -3.76 -0.01 0.00 -0.61 0.00 0.00 39.78 35.69 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 -4.66 0.37 -2.46 3.10 0.18 -0.93 -4.15 117.16 108.61 2brj n TYR 186 Ca 0.05 0.70 -0.41 0.00 1.88 0.00 0.00 57.90 60.12 2brj n TYR 186 Cb 0.52 -2.11 -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 -1.21 3.58 0.00 -3.48 2.01 -0.99 -4.85 115.64 110.71 2brj s THR 187 Ca 0.61 1.48 0.00 0.00 0.31 0.00 0.00 61.69 64.09 2brj s THR 187 Cb -0.69 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 67.88 2brj s THR 187 CO 0.58 0.30 0.00 -3.20 -0.69 0.00 0.00 174.62 171.62