#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1br9 s SER 2 N 0.00 2.09 0.01 0.00 1.04 -1.26 -5.00 113.70 110.58 1br9 s SER 2 Ca 0.00 -0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.15 1br9 s SER 2 Cb 0.00 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 1br9 s SER 2 CO 0.00 0.14 -0.18 0.00 0.98 0.00 0.00 173.24 174.17 1br9 s SER 4 N -0.74 6.78 0.29 0.00 1.04 -1.26 -5.02 113.70 114.79 1br9 s SER 4 Ca 0.06 1.89 -0.30 0.00 0.48 0.00 0.00 55.95 58.08 1br9 s SER 4 Cb -0.08 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.37 1br9 s SER 4 CO 0.00 -0.47 1.55 -2.16 0.98 0.00 0.00 173.24 173.14 1br9 s PRO 5 N -2.81 4.16 -0.09 4.02 0.05 -1.26 -5.02 135.00 134.05 1br9 s PRO 5 Ca 0.60 2.51 0.01 0.00 0.05 0.00 0.00 61.00 64.17 1br9 s PRO 5 Cb -0.16 -3.04 0.02 0.00 0.05 0.00 0.00 34.50 31.36 1br9 s PRO 5 CO 0.21 -0.57 -0.10 0.08 0.05 0.00 0.00 177.00 176.67 1br9 s VAL 6 N -0.10 1.07 0.48 -0.36 1.01 -1.26 -5.03 120.40 116.21 1br9 s VAL 6 Ca 0.61 -0.38 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1br9 s VAL 6 Cb -0.46 -1.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 1br9 s VAL 6 CO 0.48 0.36 1.37 1.57 0.00 0.00 0.00 175.10 178.88 1br9 n HIS 7 N 4.34 2.45 -0.29 5.22 -0.00 -1.26 -4.78 115.22 120.89 1br9 n HIS 7 Ca -0.18 0.45 0.09 0.00 0.46 0.00 0.00 57.72 58.53 1br9 n HIS 7 Cb 0.51 -2.41 0.32 0.00 -0.12 0.00 0.00 29.99 28.29 1br9 n HIS 7 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1br9 h PRO 8 N 1.95 0.79 -0.38 1.57 0.11 -1.95 -0.46 132.00 133.64 1br9 h PRO 8 Ca -0.50 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1br9 h PRO 8 Cb 1.29 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1br9 h PRO 8 CO 0.59 0.52 0.23 0.37 -0.21 0.00 0.00 178.00 179.51 1br9 h GLN 9 N 0.82 0.51 -0.31 1.05 4.15 -1.91 -0.65 115.11 118.77 1br9 h GLN 9 Ca 0.44 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.71 1br9 h GLN 9 Cb 0.55 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1br9 h GLN 9 CO -0.20 0.38 -0.22 0.37 -1.93 0.00 0.00 178.83 177.22 1br9 h GLN 10 N 0.50 0.59 -0.39 1.69 5.75 -1.51 0.55 115.11 122.30 1br9 h GLN 10 Ca 0.14 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1br9 h GLN 10 Cb -0.01 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 1br9 h GLN 10 CO -0.03 0.77 0.17 0.00 -2.65 0.00 0.00 178.83 177.09 1br9 h ALA 11 N 1.24 0.50 -0.29 3.38 0.00 -1.10 -1.27 119.26 121.71 1br9 h ALA 11 Ca 0.08 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1br9 h ALA 11 Cb 0.67 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1br9 h ALA 11 CO 0.05 0.08 -0.09 0.35 0.00 0.00 0.00 179.25 179.64 1br9 h PHE 12 N 0.48 -0.21 -0.28 0.00 3.04 -0.46 -1.60 116.94 117.91 1br9 h PHE 12 Ca 0.13 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.96 1br9 h PHE 12 Cb 0.16 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1br9 h PHE 12 CO -0.01 -0.15 -0.43 0.00 -2.02 0.00 0.00 178.31 175.70 1br9 h ASN 14 N 0.57 0.00 -4.07 0.00 2.35 -1.10 -3.46 115.58 109.88 1br9 h ASN 14 Ca 0.04 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.29 1br9 h ASN 14 Cb 0.98 0.00 0.07 0.00 0.05 0.00 0.00 38.32 39.42 1br9 h ASN 14 CO 0.09 0.58 0.45 0.00 -1.65 0.00 0.00 177.43 176.90 1br9 s ALA 15 N -3.56 2.75 0.14 -0.83 0.00 -0.61 -4.95 121.76 114.69 1br9 s ALA 15 Ca -0.01 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1br9 s ALA 15 Cb 0.12 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1br9 s ALA 15 CO 0.75 -0.77 1.56 -0.44 0.00 0.00 0.00 175.76 176.85 1br9 h ASP 16 N 1.37 0.84 -3.98 0.00 3.32 -1.59 -3.47 116.42 112.92 1br9 h ASP 16 Ca -0.50 -0.35 -0.17 0.00 0.02 0.00 0.00 57.03 56.03 1br9 h ASP 16 Cb 1.26 -0.23 -0.25 0.00 0.22 0.00 0.00 39.33 40.33 1br9 h ASP 16 CO 0.58 0.99 -0.48 0.54 -1.72 0.00 0.00 179.24 179.14 1br9 s VAL 17 N -4.86 0.01 -0.06 -1.35 0.11 -0.83 -3.64 120.40 109.79 1br9 s VAL 17 Ca -0.12 -0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1br9 s VAL 17 Cb 0.11 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1br9 s VAL 17 CO 0.83 -0.05 0.00 -0.69 -3.33 0.00 0.00 175.10 171.86 1br9 s VAL 18 N -0.12 0.32 0.05 2.04 1.01 -0.79 -1.58 120.40 121.33 1br9 s VAL 18 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1br9 s VAL 18 Cb -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1br9 s VAL 18 CO 0.01 0.24 -0.04 0.27 0.00 0.00 0.00 175.10 175.57 1br9 s ILE 19 N 1.81 0.35 -0.18 2.22 -4.36 -0.68 -0.74 121.20 119.62 1br9 s ILE 19 Ca 0.02 -1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 1br9 s ILE 19 Cb -0.13 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1br9 s ILE 19 CO -0.04 -0.79 0.18 -0.60 0.24 0.00 0.00 174.94 173.93 1br9 s ARG 20 N -3.10 4.14 0.05 0.37 3.52 0.09 -0.68 118.95 123.34 1br9 s ARG 20 Ca 0.01 -0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 1br9 s ARG 20 Cb 0.01 -3.40 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1br9 s ARG 20 CO -0.06 0.33 0.42 0.00 -0.81 0.00 0.00 175.30 175.18 1br9 s ALA 21 N 0.26 -1.03 0.08 6.12 0.00 -0.30 -0.34 121.76 126.55 1br9 s ALA 21 Ca 0.11 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.43 1br9 s ALA 21 Cb -0.12 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1br9 s ALA 21 CO 0.00 -0.48 -0.17 -1.59 0.00 0.00 0.00 175.76 173.52 1br9 s LYS 22 N -2.60 0.98 -0.15 0.00 -2.85 -0.85 -1.22 119.74 113.05 1br9 s LYS 22 Ca -0.04 -1.01 -0.14 0.00 -1.00 0.00 0.00 55.97 53.77 1br9 s LYS 22 Cb -0.01 -1.09 -0.05 0.00 -2.06 0.00 0.00 37.83 34.63 1br9 s LYS 22 CO -0.03 0.25 0.31 0.00 0.10 0.00 0.00 175.35 175.98 1br9 s ALA 23 N -1.16 3.59 -0.20 0.59 0.00 -1.26 -0.64 121.76 122.68 1br9 s ALA 23 Ca 0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1br9 s ALA 23 Cb -0.10 -2.40 -0.12 0.00 0.00 0.00 0.00 23.12 20.50 1br9 s ALA 23 CO 0.03 0.12 -0.19 0.28 0.00 0.00 0.00 175.76 176.00 1br9 n VAL 24 N 3.44 1.11 -3.93 0.00 0.31 0.14 -2.04 118.33 117.37 1br9 n VAL 24 Ca -0.12 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.72 1br9 n VAL 24 Cb 0.52 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 1br9 n VAL 24 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1br9 s SER 25 N -6.02 -0.11 -0.03 4.52 1.04 -1.13 -4.20 113.70 107.76 1br9 s SER 25 Ca -0.26 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.37 1br9 s SER 25 Cb 0.07 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1br9 s SER 25 CO 0.43 -1.08 -0.02 -0.70 0.98 0.00 0.00 173.24 172.86 1br9 s GLU 26 N -3.97 0.54 0.09 4.02 2.12 -1.26 0.08 118.70 120.32 1br9 s GLU 26 Ca 0.18 -0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.44 1br9 s GLU 26 Cb -0.00 -0.63 -0.02 0.00 0.26 0.00 0.00 34.13 33.74 1br9 s GLU 26 CO 0.04 -0.10 0.12 -1.59 -0.54 0.00 0.00 175.26 173.19 1br9 s LYS 27 N 0.92 0.81 -0.04 4.30 -2.85 -0.81 -5.00 119.74 117.08 1br9 s LYS 27 Ca -0.11 -1.12 -0.24 0.00 -1.00 0.00 0.00 55.97 53.51 1br9 s LYS 27 Cb -0.14 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1br9 s LYS 27 CO -0.01 -0.23 0.71 -2.00 0.10 0.00 0.00 175.35 173.92 1br9 s GLU 28 N -3.91 4.44 0.23 1.78 2.12 -1.26 -0.03 118.70 122.07 1br9 s GLU 28 Ca 0.09 0.91 0.07 0.00 0.36 0.00 0.00 54.97 56.40 1br9 s GLU 28 Cb 0.06 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1br9 s GLU 28 CO -0.08 0.12 -0.11 0.14 -0.54 0.00 0.00 175.26 174.79 1br9 s VAL 29 N 0.60 1.63 -0.22 3.70 -7.23 0.53 -4.92 120.40 114.48 1br9 s VAL 29 Ca 0.38 -2.17 -0.22 0.00 -1.81 0.00 0.00 61.98 58.16 1br9 s VAL 29 Cb -0.18 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 1br9 s VAL 29 CO 0.19 -0.49 0.68 -0.62 -0.31 0.00 0.00 175.10 174.55 1br9 s ASP 30 N -3.35 6.69 -0.15 4.85 2.15 -1.26 -1.33 116.67 124.27 1br9 s ASP 30 Ca 0.25 0.85 0.16 0.00 0.43 0.00 0.00 52.55 54.24 1br9 s ASP 30 Cb 0.01 -2.37 0.60 0.00 -0.30 0.00 0.00 42.92 40.86 1br9 s ASP 30 CO 0.08 -0.36 1.51 -1.20 -0.17 0.00 0.00 175.17 175.03 1br9 n SER 31 N 5.48 4.33 0.00 -0.34 7.64 0.85 -4.96 113.62 126.62 1br9 n SER 31 Ca 0.01 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1br9 n SER 31 Cb 0.49 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1br9 n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1br9 n GLY 32 N 0.25 -0.32 3.76 0.23 0.00 -1.26 -4.85 105.19 103.01 1br9 n GLY 32 Ca 0.22 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1br9 n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1br9 s ASN 33 N -1.89 5.53 0.96 1.61 0.01 -1.26 0.38 114.94 120.28 1br9 s ASN 33 Ca 0.00 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1br9 s ASN 33 Cb 0.00 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.14 1br9 s ASN 33 CO 0.00 0.23 0.00 -0.90 -1.51 0.00 0.00 177.10 174.92 1br9 n ASP 34 N 0.88 -0.46 0.23 -1.22 5.68 0.14 -4.83 116.55 116.97 1br9 n ASP 34 Ca -0.11 -0.73 0.08 0.00 -0.50 0.00 0.00 54.79 53.53 1br9 n ASP 34 Cb 0.52 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.06 1br9 n ASP 34 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1br9 h ILE 35 N -1.20 0.93 -0.16 2.12 6.09 -2.00 -0.82 117.51 122.48 1br9 h ILE 35 Ca 0.00 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 1br9 h ILE 35 Cb 0.00 1.43 0.00 0.00 0.47 0.00 0.00 36.82 38.72 1br9 h ILE 35 CO 0.00 0.20 0.00 -1.22 -3.07 0.00 0.00 178.15 174.06 1br9 n TYR 36 N -3.99 0.21 -0.85 2.19 4.01 -1.26 -4.91 117.16 112.56 1br9 n TYR 36 Ca -0.02 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1br9 n TYR 36 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1br9 n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1br9 n GLY 37 N 1.08 0.52 3.73 2.72 0.00 -0.31 -5.04 105.19 107.89 1br9 n GLY 37 Ca 0.15 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1br9 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1br9 s ASN 38 N -2.48 6.23 0.43 1.61 0.02 -1.26 -4.76 114.94 114.73 1br9 s ASN 38 Ca 0.00 0.26 -0.23 0.00 -1.02 0.00 0.00 52.86 51.87 1br9 s ASN 38 Cb 0.00 -2.10 -0.12 0.00 0.02 0.00 0.00 41.25 39.06 1br9 s ASN 38 CO 0.00 0.18 0.69 -2.65 0.02 0.00 0.00 177.10 175.34 1br9 n PRO 39 N 3.47 0.78 -3.74 -0.60 -0.02 -1.26 0.26 135.00 133.90 1br9 n PRO 39 Ca -0.16 0.29 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 1br9 n PRO 39 Cb 0.52 -1.68 -0.12 0.00 -0.02 0.00 0.00 33.50 32.20 1br9 n PRO 39 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1br9 s ILE 40 N -1.42 3.80 -0.05 4.25 1.01 0.16 -4.71 121.20 124.23 1br9 s ILE 40 Ca 0.64 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 1br9 s ILE 40 Cb -0.58 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1br9 s ILE 40 CO 0.57 -0.24 0.87 -0.54 0.00 0.00 0.00 174.94 175.60 1br9 s LYS 41 N 1.39 4.47 0.10 2.79 -0.14 -1.26 -0.10 119.74 126.99 1br9 s LYS 41 Ca -0.01 1.19 0.04 0.00 -1.36 0.00 0.00 55.97 55.83 1br9 s LYS 41 Cb -0.20 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.44 1br9 s LYS 41 CO 0.02 -0.07 -0.11 1.03 -0.76 0.00 0.00 175.35 175.46 1br9 s ARG 42 N 1.18 0.88 0.04 1.68 0.52 -0.45 -4.52 118.95 118.29 1br9 s ARG 42 Ca 0.45 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 1br9 s ARG 42 Cb -0.19 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.61 1br9 s ARG 42 CO 0.22 0.11 0.93 0.42 0.02 0.00 0.00 175.30 176.99 1br9 s ILE 43 N -2.31 4.72 -0.38 1.52 -1.09 0.84 -0.35 121.20 124.16 1br9 s ILE 43 Ca 0.06 1.98 -0.09 0.00 -2.23 0.00 0.00 60.65 60.36 1br9 s ILE 43 Cb -0.04 -4.28 0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1br9 s ILE 43 CO 0.01 0.25 0.19 -1.58 -1.23 0.00 0.00 174.94 172.58 1br9 s GLN 44 N 0.49 2.71 -0.19 2.79 0.74 0.96 -1.37 119.66 125.79 1br9 s GLN 44 Ca 0.48 -1.20 -0.20 0.00 0.05 0.00 0.00 55.36 54.48 1br9 s GLN 44 Cb -0.22 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 1br9 s GLN 44 CO 0.28 -0.75 0.60 0.71 -0.55 0.00 0.00 175.29 175.57 1br9 s TYR 45 N 1.48 3.39 -0.01 1.67 2.02 0.17 -1.93 117.35 124.15 1br9 s TYR 45 Ca 0.01 0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 57.32 1br9 s TYR 45 Cb -0.20 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1br9 s TYR 45 CO 0.05 -0.12 1.02 -2.00 -1.57 0.00 0.00 175.55 172.92 1br9 s GLU 46 N 1.72 4.52 0.26 -0.62 2.12 0.11 -0.60 118.70 126.21 1br9 s GLU 46 Ca 0.28 1.47 0.08 0.00 0.36 0.00 0.00 54.97 57.16 1br9 s GLU 46 Cb -0.16 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1br9 s GLU 46 CO 0.11 -0.13 -0.12 0.96 -0.54 0.00 0.00 175.26 175.54 1br9 s ILE 47 N 1.21 1.91 -0.39 -3.70 -4.36 -0.79 0.23 121.20 115.30 1br9 s ILE 47 Ca 0.52 -2.22 -0.14 0.00 -0.26 0.00 0.00 60.65 58.56 1br9 s ILE 47 Cb -0.22 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.20 1br9 s ILE 47 CO 0.26 -0.41 0.27 -0.75 0.24 0.00 0.00 174.94 174.56 1br9 s LYS 48 N -3.64 3.06 -0.15 0.37 2.47 0.19 -4.79 119.74 117.24 1br9 s LYS 48 Ca 0.28 -0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 53.44 1br9 s LYS 48 Cb 0.00 -3.90 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1br9 s LYS 48 CO 0.11 -0.68 1.64 -1.14 0.16 0.00 0.00 175.35 175.44 1br9 s GLN 49 N 1.67 3.95 0.02 4.03 0.74 -1.26 -2.01 119.66 126.80 1br9 s GLN 49 Ca 0.05 1.89 -0.14 0.00 0.05 0.00 0.00 55.36 57.21 1br9 s GLN 49 Cb -0.19 -4.01 -0.34 0.00 1.10 0.00 0.00 33.01 29.56 1br9 s GLN 49 CO 0.09 -1.11 0.96 0.82 -0.55 0.00 0.00 175.29 175.51 1br9 h ILE 50 N 5.92 1.25 -1.89 -2.34 2.04 -1.05 -3.48 117.51 117.95 1br9 h ILE 50 Ca -0.36 -2.71 -0.00 0.00 1.00 0.00 0.00 64.86 62.79 1br9 h ILE 50 Cb 1.16 3.00 -0.22 0.00 -0.74 0.00 0.00 36.82 40.01 1br9 h ILE 50 CO 0.98 0.82 0.20 -0.75 0.00 0.00 0.00 178.15 179.41 1br9 s LYS 51 N -2.60 0.73 -0.20 2.37 2.20 -1.04 -4.98 119.74 116.21 1br9 s LYS 51 Ca -0.10 0.92 -0.09 0.00 -0.36 0.00 0.00 55.97 56.35 1br9 s LYS 51 Cb 0.05 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1br9 s LYS 51 CO 0.93 -0.10 0.11 1.41 -0.36 0.00 0.00 175.35 177.34 1br9 s MET 52 N 0.51 4.05 -0.04 4.03 -2.45 -1.26 -0.73 119.30 123.41 1br9 s MET 52 Ca -0.01 -0.29 0.20 0.00 -1.25 0.00 0.00 55.69 54.34 1br9 s MET 52 Cb -0.05 -3.36 -0.24 0.00 1.25 0.00 0.00 34.83 32.43 1br9 s MET 52 CO -0.04 0.21 0.48 1.19 1.05 0.00 0.00 175.02 177.92 1br9 n PHE 53 N 3.76 0.30 -3.54 4.11 3.72 0.08 -5.00 117.46 120.89 1br9 n PHE 53 Ca -0.16 0.10 -0.07 0.00 -0.05 0.00 0.00 57.45 57.27 1br9 n PHE 53 Cb 0.52 -0.82 -0.02 0.00 -0.94 0.00 0.00 39.48 38.22 1br9 n PHE 53 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1br9 s LYS 54 N -3.07 0.60 0.00 -1.08 -2.85 -1.16 -4.93 119.74 107.25 1br9 s LYS 54 Ca -0.07 -0.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1br9 s LYS 54 Cb 0.10 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1br9 s LYS 54 CO 0.85 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.45 1br9 n GLY 55 N -0.16 1.69 3.46 0.59 0.00 -1.24 -1.89 105.19 107.63 1br9 n GLY 55 Ca -0.05 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 1br9 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1br9 n PRO 56 N -1.22 0.17 0.14 1.61 -0.05 -1.26 -4.91 135.00 129.48 1br9 n PRO 56 Ca 0.00 0.10 0.12 0.00 -0.05 0.00 0.00 63.50 63.67 1br9 n PRO 56 Cb 0.00 -1.85 0.22 0.00 -0.05 0.00 0.00 33.50 31.82 1br9 n PRO 56 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 175.50 176.94 1br9 h GLU 57 N -0.65 0.00 -6.28 0.54 4.81 -2.02 -3.43 114.58 107.55 1br9 h GLU 57 Ca -0.45 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.24 1br9 h GLU 57 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1br9 h GLU 57 CO 0.41 0.00 1.12 0.21 -0.73 0.00 0.00 179.01 180.01 1br9 s LYS 58 N -3.19 4.17 0.41 1.92 2.20 -1.26 -4.97 119.74 119.03 1br9 s LYS 58 Ca 0.07 2.28 -0.24 0.00 -0.36 0.00 0.00 55.97 57.72 1br9 s LYS 58 Cb 0.09 -4.02 -0.11 0.00 -1.51 0.00 0.00 37.83 32.28 1br9 s LYS 58 CO 0.67 -0.87 0.89 -0.25 -0.36 0.00 0.00 175.35 175.44 1br9 n ASP 59 N 7.21 0.72 -4.70 1.43 9.92 -1.26 -4.47 116.55 125.40 1br9 n ASP 59 Ca 0.18 1.01 -0.42 0.00 -0.53 0.00 0.00 54.79 55.03 1br9 n ASP 59 Cb 0.42 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.59 1br9 n ASP 59 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1br9 s ILE 60 N -1.31 4.45 -0.03 0.53 -1.09 -1.26 -4.10 121.20 118.39 1br9 s ILE 60 Ca 0.63 1.75 0.07 0.00 -2.23 0.00 0.00 60.65 60.88 1br9 s ILE 60 Cb -0.58 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.06 1br9 s ILE 60 CO 0.57 0.07 0.12 -1.84 -1.23 0.00 0.00 174.94 172.63 1br9 n GLU 61 N 4.53 1.18 -4.44 2.79 0.28 0.71 -4.24 120.64 121.46 1br9 n GLU 61 Ca 0.09 -0.05 -0.20 0.00 -0.16 0.00 0.00 57.16 56.84 1br9 n GLU 61 Cb 0.48 -1.19 -0.15 0.00 1.43 0.00 0.00 31.44 32.01 1br9 n GLU 61 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1br9 s PHE 62 N -2.41 0.95 -0.11 -1.84 0.08 -0.92 -1.89 117.98 111.83 1br9 s PHE 62 Ca -0.03 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.86 1br9 s PHE 62 Cb 0.04 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.87 1br9 s PHE 62 CO 0.32 -0.03 -0.23 0.42 -0.10 0.00 0.00 175.22 175.60 1br9 s ILE 63 N -0.16 2.00 0.18 0.64 1.01 0.23 -1.27 121.20 123.84 1br9 s ILE 63 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.78 1br9 s ILE 63 Cb -0.05 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1br9 s ILE 63 CO -0.00 0.54 0.03 -0.31 0.00 0.00 0.00 174.94 175.20 1br9 s TYR 64 N 0.55 2.88 -0.03 3.97 2.02 0.17 0.44 117.35 127.34 1br9 s TYR 64 Ca -0.14 -0.13 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 1br9 s TYR 64 Cb -0.17 -1.38 0.11 0.00 -0.40 0.00 0.00 41.96 40.12 1br9 s TYR 64 CO 0.04 0.53 0.89 -0.08 -1.57 0.00 0.00 175.55 175.37 1br9 s THR 65 N -1.81 0.00 0.57 -0.71 -1.32 -0.47 -1.49 115.64 110.41 1br9 s THR 65 Ca 0.28 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.56 1br9 s THR 65 Cb -0.09 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1br9 s THR 65 CO 0.20 0.00 1.29 0.00 -2.21 0.00 0.00 174.62 173.89 1br9 s ALA 66 N -2.65 2.68 0.40 11.08 0.00 -1.26 -0.11 121.76 131.90 1br9 s ALA 66 Ca 0.03 1.18 0.17 0.00 0.00 0.00 0.00 51.96 53.34 1br9 s ALA 66 Cb -0.01 -3.52 1.06 0.00 0.00 0.00 0.00 23.12 20.66 1br9 s ALA 66 CO -0.06 -1.29 1.83 -1.35 0.00 0.00 0.00 175.76 174.89 1br9 h PRO 67 N 1.20 0.42 -5.71 0.00 0.11 -1.91 -3.38 132.00 122.74 1br9 h PRO 67 Ca -0.51 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.05 1br9 h PRO 67 Cb 1.30 -0.10 -0.27 0.00 0.11 0.00 0.00 31.00 32.05 1br9 h PRO 67 CO 0.56 0.28 -0.82 0.45 -0.21 0.00 0.00 178.00 178.26 1br9 s SER 68 N -5.53 2.08 0.65 -2.05 0.15 -1.26 -4.94 113.70 102.80 1br9 s SER 68 Ca -0.09 -0.43 0.41 0.00 0.70 0.00 0.00 55.95 56.55 1br9 s SER 68 Cb 0.23 -0.18 2.27 0.00 -1.71 0.00 0.00 66.02 66.63 1br9 s SER 68 CO 0.79 0.14 2.34 0.77 1.20 0.00 0.00 173.24 178.48 1br9 h SER 69 N 5.20 0.00 -0.38 5.45 4.64 -1.85 0.21 113.55 126.81 1br9 h SER 69 Ca -0.39 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 1br9 h SER 69 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1br9 h SER 69 CO 0.46 0.00 0.26 0.00 -0.87 0.00 0.00 176.83 176.67 1br9 h ALA 70 N 1.99 1.99 -0.52 5.18 0.00 -1.94 -1.06 119.26 124.89 1br9 h ALA 70 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1br9 h ALA 70 Cb 0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 17.52 1br9 h ALA 70 CO -0.00 -0.06 -0.22 1.33 0.00 0.00 0.00 179.25 180.30 1br9 n VAL 71 N -4.48 2.65 -1.11 0.00 0.24 -0.91 -3.70 118.33 111.03 1br9 n VAL 71 Ca 0.05 -3.26 -0.04 0.00 -2.04 0.00 0.00 64.34 59.05 1br9 n VAL 71 Cb 0.24 -0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 31.94 1br9 n VAL 71 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1br9 s GLY 73 N -2.94 2.50 -0.11 0.00 0.00 0.68 -0.83 107.32 106.63 1br9 s GLY 73 Ca 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 44.72 45.66 1br9 s GLY 73 CO 0.00 1.36 -0.03 0.14 0.00 0.00 0.00 173.10 174.58 1br9 s VAL 74 N -1.82 4.03 -0.21 1.40 1.01 -1.26 -3.84 120.40 119.71 1br9 s VAL 74 Ca 0.76 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 1br9 s VAL 74 Cb -0.31 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1br9 s VAL 74 CO 0.42 0.56 0.31 -0.44 0.00 0.00 0.00 175.10 175.95 1br9 s SER 75 N -0.41 6.32 -0.07 3.32 0.01 -1.26 -4.90 113.70 116.71 1br9 s SER 75 Ca 0.07 0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.71 1br9 s SER 75 Cb -0.12 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1br9 s SER 75 CO 0.02 -0.02 -0.10 -0.76 0.41 0.00 0.00 173.24 172.79 1br9 s LEU 76 N 1.18 2.98 -0.70 2.44 1.43 -1.26 -5.06 118.68 119.69 1br9 s LEU 76 Ca 0.15 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1br9 s LEU 76 Cb -0.14 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1br9 s LEU 76 CO 0.06 0.32 1.32 -0.62 0.23 0.00 0.00 176.35 177.67 1br9 s ASP 77 N -0.58 6.13 0.57 2.29 -1.08 -1.26 -4.99 116.67 117.75 1br9 s ASP 77 Ca 0.08 -0.27 -0.15 0.00 -0.52 0.00 0.00 52.55 51.69 1br9 s ASP 77 Cb -0.12 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.73 1br9 s ASP 77 CO 0.02 -1.82 1.02 -0.69 0.52 0.00 0.00 175.17 174.21 1br9 s VAL 78 N 5.90 4.26 0.00 1.11 1.01 -1.26 -3.99 120.40 127.43 1br9 s VAL 78 Ca 0.40 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1br9 s VAL 78 Cb -0.08 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1br9 s VAL 78 CO 0.17 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1br9 n GLY 79 N -1.52 1.52 3.00 4.51 0.00 -0.86 -4.70 105.19 107.13 1br9 n GLY 79 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1br9 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1br9 n GLY 80 N 0.00 0.28 0.00 -0.02 0.00 -0.95 -4.89 105.19 99.61 1br9 n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1br9 n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1br9 n LYS 81 N -1.14 0.00 -1.79 1.61 2.85 -1.26 -4.89 118.16 113.54 1br9 n LYS 81 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1br9 n LYS 81 Cb 0.18 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.54 1br9 n LYS 81 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1br9 s LYS 82 N 0.29 4.14 0.03 -1.58 1.02 -1.26 -4.94 119.74 117.44 1br9 s LYS 82 Ca 0.00 2.55 -0.12 0.00 0.02 0.00 0.00 55.97 58.42 1br9 s LYS 82 Cb 0.00 -3.07 -0.06 0.00 -0.52 0.00 0.00 37.83 34.19 1br9 s LYS 82 CO 0.00 -0.67 0.39 -1.21 -0.92 0.00 0.00 175.35 172.94 1br9 s GLU 83 N 0.46 3.82 0.01 1.68 2.02 -1.26 -4.39 118.70 121.04 1br9 s GLU 83 Ca 0.69 0.28 0.05 0.00 0.02 0.00 0.00 54.97 56.01 1br9 s GLU 83 Cb -0.48 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1br9 s GLU 83 CO 0.38 0.64 -0.15 0.71 0.02 0.00 0.00 175.26 176.86 1br9 s TYR 84 N -1.22 1.37 -0.15 1.61 1.51 -0.36 0.53 117.35 120.64 1br9 s TYR 84 Ca 0.27 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.76 1br9 s TYR 84 Cb -0.15 -0.85 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1br9 s TYR 84 CO 0.15 0.01 0.90 -1.17 -1.11 0.00 0.00 175.55 174.33 1br9 s LEU 85 N -0.74 4.19 -0.13 -1.29 2.96 0.28 -1.15 118.68 122.81 1br9 s LEU 85 Ca 0.05 1.30 -0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1br9 s LEU 85 Cb -0.07 -3.35 0.03 0.00 0.50 0.00 0.00 46.19 43.30 1br9 s LEU 85 CO 0.00 -0.43 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.90 1br9 s ILE 86 N 2.18 1.05 -0.07 6.68 1.01 0.15 -2.23 121.20 129.97 1br9 s ILE 86 Ca 0.42 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1br9 s ILE 86 Cb -0.17 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1br9 s ILE 86 CO 0.13 0.30 -0.11 0.00 0.00 0.00 0.00 174.94 175.27 1br9 s ALA 87 N 1.69 2.79 0.00 9.38 0.00 0.18 -1.68 121.76 134.12 1br9 s ALA 87 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1br9 s ALA 87 Cb -0.13 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1br9 s ALA 87 CO -0.08 0.50 0.02 0.41 0.00 0.00 0.00 175.76 176.62 1br9 n GLY 88 N 2.50 0.88 3.71 0.00 0.00 -0.61 -3.78 105.19 107.88 1br9 n GLY 88 Ca -0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1br9 n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1br9 s LYS 89 N -2.00 4.52 -0.14 1.61 2.20 -0.84 -1.51 119.74 123.58 1br9 s LYS 89 Ca 0.01 1.22 -0.21 0.00 -0.36 0.00 0.00 55.97 56.63 1br9 s LYS 89 Cb -0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1br9 s LYS 89 CO 0.00 0.01 0.60 0.00 -0.36 0.00 0.00 175.35 175.60 1br9 s ALA 90 N 0.86 3.47 -2.54 3.13 0.00 -1.26 -1.19 121.76 124.23 1br9 s ALA 90 Ca 0.46 -0.14 0.25 0.00 0.00 0.00 0.00 51.96 52.53 1br9 s ALA 90 Cb -0.20 -2.87 0.45 0.00 0.00 0.00 0.00 23.12 20.50 1br9 s ALA 90 CO 0.24 -0.26 1.39 0.39 0.00 0.00 0.00 175.76 177.52 1br9 n GLU 91 N 4.29 1.76 0.00 0.00 1.02 -0.67 -4.98 120.64 122.06 1br9 n GLU 91 Ca -0.03 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1br9 n GLU 91 Cb 0.51 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1br9 n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1br9 n GLY 92 N 1.32 -1.84 2.18 0.62 0.00 -1.25 -4.90 105.19 101.31 1br9 n GLY 92 Ca 0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 1br9 n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1br9 n ASP 93 N -2.03 -3.19 -1.57 1.61 2.03 -1.26 -2.13 116.55 110.01 1br9 n ASP 93 Ca 0.00 0.03 -0.17 0.00 0.52 0.00 0.00 54.79 55.17 1br9 n ASP 93 Cb 0.00 -2.32 -0.04 0.00 -0.72 0.00 0.00 41.12 38.04 1br9 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1br9 n GLY 94 N -1.16 0.68 3.44 0.27 0.00 -1.26 -4.86 105.19 102.30 1br9 n GLY 94 Ca -0.10 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1br9 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1br9 s LYS 95 N -4.10 2.13 0.14 1.61 1.02 -0.90 -0.20 119.74 119.43 1br9 s LYS 95 Ca 0.00 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.09 1br9 s LYS 95 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1br9 s LYS 95 CO 0.00 0.55 -0.07 0.00 -0.92 0.00 0.00 175.35 174.92 1br9 s MET 96 N -1.22 1.03 -0.07 1.68 0.23 -0.40 -1.66 119.30 118.89 1br9 s MET 96 Ca 0.13 -1.45 0.03 0.00 -1.03 0.00 0.00 55.69 53.37 1br9 s MET 96 Cb -0.10 -0.44 0.01 0.00 -1.53 0.00 0.00 34.83 32.76 1br9 s MET 96 CO 0.04 -0.00 -0.15 -1.58 -2.03 0.00 0.00 175.02 171.30 1br9 s HIS 97 N -3.47 1.68 0.10 3.16 2.46 -0.33 0.44 115.29 119.33 1br9 s HIS 97 Ca 0.18 -0.63 0.08 0.00 0.47 0.00 0.00 55.06 55.16 1br9 s HIS 97 Cb 0.04 -1.19 -0.03 0.00 -0.13 0.00 0.00 32.58 31.26 1br9 s HIS 97 CO 0.00 -0.29 -0.21 0.96 -2.47 0.00 0.00 174.74 172.73 1br9 s ILE 98 N 0.54 1.74 0.24 0.89 -4.36 -0.55 -1.99 121.20 117.70 1br9 s ILE 98 Ca -0.14 -1.54 0.06 0.00 -0.26 0.00 0.00 60.65 58.77 1br9 s ILE 98 Cb -0.16 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.92 1br9 s ILE 98 CO 0.05 -0.04 -0.06 0.42 0.24 0.00 0.00 174.94 175.55 1br9 s THR 99 N -1.14 1.45 0.06 8.37 -4.23 -1.26 -4.43 115.64 114.46 1br9 s THR 99 Ca 0.07 -2.11 0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1br9 s THR 99 Cb -0.10 -2.30 0.30 0.00 1.34 0.00 0.00 72.50 71.74 1br9 s THR 99 CO 0.04 -0.39 1.91 -0.07 -0.54 0.00 0.00 174.62 175.57 1br9 h LEU 100 N 2.42 0.00 -0.19 4.79 3.38 -1.23 -0.78 115.31 123.70 1br9 h LEU 100 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1br9 h LEU 100 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1br9 h LEU 100 CO 0.65 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 179.06 1br9 s ASP 102 N -2.54 3.90 -0.53 0.00 1.01 -0.30 -4.97 116.67 113.23 1br9 s ASP 102 Ca 0.27 1.09 -0.23 0.00 0.71 0.00 0.00 52.55 54.39 1br9 s ASP 102 Cb 0.20 -1.73 0.04 0.00 1.01 0.00 0.00 42.92 42.45 1br9 s ASP 102 CO 0.49 -2.32 0.86 0.12 0.21 0.00 0.00 175.17 174.54 1br9 s PHE 103 N -3.24 2.86 -0.23 4.23 5.36 -1.25 -4.98 117.98 120.74 1br9 s PHE 103 Ca 0.63 -0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1br9 s PHE 103 Cb -0.15 -3.93 0.08 0.00 -0.34 0.00 0.00 43.02 38.68 1br9 s PHE 103 CO 0.54 -1.26 0.09 0.42 -1.46 0.00 0.00 175.22 173.55 1br9 s ILE 104 N 3.62 0.20 0.01 3.12 1.01 -1.26 -0.65 121.20 127.25 1br9 s ILE 104 Ca 0.27 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1br9 s ILE 104 Cb -0.14 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1br9 s ILE 104 CO 0.18 -0.45 -0.07 0.68 0.00 0.00 0.00 174.94 175.28 1br9 s VAL 105 N 1.99 0.50 0.17 2.92 -7.23 -0.95 -5.01 120.40 112.79 1br9 s VAL 105 Ca 0.04 -0.58 -0.33 0.00 -1.81 0.00 0.00 61.98 59.30 1br9 s VAL 105 Cb -0.16 -0.48 -0.15 0.00 0.56 0.00 0.00 36.38 36.14 1br9 s VAL 105 CO -0.19 -0.07 1.25 -2.65 -0.31 0.00 0.00 175.10 173.13 1br9 n PRO 106 N 2.35 1.37 -0.30 4.82 -0.02 -1.26 -0.56 135.00 141.40 1br9 n PRO 106 Ca -0.17 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1br9 n PRO 106 Cb 0.57 -2.05 0.23 0.00 -0.02 0.00 0.00 33.50 32.23 1br9 n PRO 106 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1br9 h TRP 107 N 3.81 0.76 0.00 6.00 2.91 -0.20 -2.05 115.95 127.17 1br9 h TRP 107 Ca -0.44 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.61 1br9 h TRP 107 Cb 1.33 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 1br9 h TRP 107 CO 0.56 0.17 0.00 -0.25 -1.03 0.00 0.00 178.44 177.89 1br9 n ASP 108 N -4.88 0.00 -0.33 2.65 8.00 -1.26 -2.72 116.55 118.01 1br9 n ASP 108 Ca 0.17 -0.46 0.12 0.00 0.71 0.00 0.00 54.79 55.33 1br9 n ASP 108 Cb 0.44 -0.15 0.12 0.00 -0.02 0.00 0.00 41.12 41.51 1br9 n ASP 108 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1br9 n THR 109 N -1.15 0.00 -2.31 -3.53 -2.24 -0.77 -4.95 114.28 99.33 1br9 n THR 109 Ca 0.17 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1br9 n THR 109 Cb 0.16 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1br9 n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1br9 s LEU 110 N -2.58 4.19 0.62 3.22 1.43 -1.10 -5.03 118.68 119.43 1br9 s LEU 110 Ca 0.19 2.33 -0.17 0.00 -1.03 0.00 0.00 54.13 55.44 1br9 s LEU 110 Cb 0.18 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1br9 s LEU 110 CO 0.60 -0.66 1.16 -0.94 0.23 0.00 0.00 176.35 176.73 1br9 s SER 111 N -1.16 5.15 0.27 2.29 1.04 -1.26 -4.86 113.70 115.16 1br9 s SER 111 Ca 0.57 2.20 -0.03 0.00 0.48 0.00 0.00 55.95 59.18 1br9 s SER 111 Cb -0.30 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 63.81 1br9 s SER 111 CO 0.38 -1.61 1.64 0.74 0.98 0.00 0.00 173.24 175.37 1br9 h THR 112 N 0.51 0.34 -0.32 2.02 2.02 -1.96 -1.22 112.91 114.30 1br9 h THR 112 Ca -0.49 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.49 1br9 h THR 112 Cb 1.27 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1br9 h THR 112 CO 0.54 0.03 -0.40 0.71 0.37 0.00 0.00 175.52 176.77 1br9 h THR 113 N 0.17 1.28 -0.07 3.16 1.35 -1.92 -0.70 112.91 116.18 1br9 h THR 113 Ca 0.48 -1.58 0.04 0.00 -0.55 0.00 0.00 66.41 64.80 1br9 h THR 113 Cb 0.91 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 68.73 1br9 h THR 113 CO -0.65 0.52 -0.29 1.56 -0.25 0.00 0.00 175.52 176.40 1br9 h GLN 114 N 0.64 -0.38 0.29 4.72 4.20 -1.48 0.30 115.11 123.40 1br9 h GLN 114 Ca 0.05 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1br9 h GLN 114 Cb 0.96 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1br9 h GLN 114 CO 0.09 -0.26 -0.31 0.87 -0.67 0.00 0.00 178.83 178.56 1br9 h LYS 115 N -0.40 -0.61 -0.91 1.46 1.57 -1.07 -2.12 116.57 114.48 1br9 h LYS 115 Ca 0.08 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1br9 h LYS 115 Cb 0.52 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 1br9 h LYS 115 CO -0.30 -0.41 0.59 0.87 -0.57 0.00 0.00 179.45 179.64 1br9 h LYS 116 N -0.63 0.93 0.00 3.15 1.79 -1.01 -2.00 116.57 118.79 1br9 h LYS 116 Ca -0.01 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1br9 h LYS 116 Cb 0.58 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1br9 h LYS 116 CO -0.07 0.61 0.00 0.77 -1.08 0.00 0.00 179.45 179.68 1br9 h SER 117 N 0.95 0.00 -0.14 0.86 0.02 0.24 -2.25 113.55 113.24 1br9 h SER 117 Ca 0.42 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.41 1br9 h SER 117 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1br9 h SER 117 CO -0.18 0.00 0.11 -0.07 -1.14 0.00 0.00 176.83 175.56 1br9 h LEU 118 N 0.00 0.00 0.00 5.07 3.38 -0.85 -1.20 115.31 121.71 1br9 h LEU 118 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1br9 h LEU 118 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1br9 h LEU 118 CO 0.00 0.00 -0.20 0.78 0.09 0.00 0.00 178.44 179.11 1br9 h ASN 119 N 0.00 0.00 0.00 -0.43 2.35 -1.55 -3.45 115.58 112.50 1br9 h ASN 119 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1br9 h ASN 119 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1br9 h ASN 119 CO -0.00 0.13 0.00 1.57 -1.65 0.00 0.00 177.43 177.48 1br9 n HIS 120 N -3.11 0.00 -0.01 1.19 -0.00 -1.23 -5.02 115.22 107.04 1br9 n HIS 120 Ca 0.03 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.04 1br9 n HIS 120 Cb 0.59 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.37 1br9 n HIS 120 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1br9 h ARG 121 N 0.00 0.56 -0.73 1.57 2.43 -1.82 -2.84 114.38 113.55 1br9 h ARG 121 Ca 0.00 -0.51 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 1br9 h ARG 121 Cb 0.00 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1br9 h ARG 121 CO 0.00 1.13 0.23 1.88 -1.51 0.00 0.00 179.97 181.70 1br9 h TYR 122 N 0.17 1.17 -0.78 2.20 0.05 -1.55 -2.36 116.97 115.86 1br9 h TYR 122 Ca -0.06 -0.12 0.14 0.00 0.05 0.00 0.00 58.73 58.75 1br9 h TYR 122 Cb 1.30 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 38.65 1br9 h TYR 122 CO 0.12 0.92 0.52 0.37 -1.05 0.00 0.00 178.16 179.04 1br9 h GLN 123 N 1.07 0.48 0.00 4.88 5.75 -1.78 0.89 115.11 126.40 1br9 h GLN 123 Ca 0.23 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1br9 h GLN 123 Cb 0.30 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1br9 h GLN 123 CO -0.01 0.32 0.00 -1.33 -2.65 0.00 0.00 178.83 175.16 1br9 n MET 124 N -4.50 0.01 -0.08 1.69 2.81 -0.89 -2.30 117.12 113.87 1br9 n MET 124 Ca 0.15 0.39 0.05 0.00 -1.81 0.00 0.00 57.70 56.47 1br9 n MET 124 Cb 0.50 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.57 1br9 n MET 124 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1br9 n GLY 125 N -1.23 3.14 0.00 3.03 0.00 0.30 -2.65 105.19 107.77 1br9 n GLY 125 Ca 0.01 -0.52 0.13 0.00 0.00 0.00 0.00 46.02 45.64 1br9 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br9 n GLU 127 N -0.97 2.16 -3.25 0.00 1.02 -1.26 -4.97 120.64 113.38 1br9 n GLU 127 Ca 0.19 -1.68 -0.23 0.00 -0.02 0.00 0.00 57.16 55.42 1br9 n GLU 127 Cb 0.09 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1br9 n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1br9 s LYS 129 N -4.39 3.15 -0.30 0.00 1.02 0.51 -5.01 119.74 114.72 1br9 s LYS 129 Ca 0.44 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.52 1br9 s LYS 129 Cb -0.10 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1br9 s LYS 129 CO 0.36 0.23 0.26 0.42 -0.92 0.00 0.00 175.35 175.70 1br9 s ILE 130 N 0.25 5.26 -0.17 2.17 1.01 -1.26 -0.66 121.20 127.79 1br9 s ILE 130 Ca -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1br9 s ILE 130 Cb -0.16 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1br9 s ILE 130 CO 0.07 0.12 -0.04 -0.89 0.00 0.00 0.00 174.94 174.20 1br9 s THR 131 N 1.85 3.77 0.16 2.92 2.01 0.33 -4.93 115.64 121.76 1br9 s THR 131 Ca 0.09 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1br9 s THR 131 Cb -0.16 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 1br9 s THR 131 CO 0.11 0.47 1.04 -0.60 -0.69 0.00 0.00 174.62 174.95 1br9 s ARG 132 N 0.63 4.66 -0.76 4.92 3.52 -1.26 0.46 118.95 131.13 1br9 s ARG 132 Ca -0.02 1.60 -0.18 0.00 -0.13 0.00 0.00 55.73 57.00 1br9 s ARG 132 Cb -0.14 -3.31 0.13 0.00 -1.56 0.00 0.00 34.95 30.06 1br9 s ARG 132 CO 0.02 0.17 0.89 0.00 -0.81 0.00 0.00 175.30 175.57 1br9 h PRO 134 N 8.86 0.08 -2.16 0.00 0.11 -1.94 -3.38 132.00 133.56 1br9 h PRO 134 Ca -0.07 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 1br9 h PRO 134 Cb 1.06 -0.02 -0.22 0.00 0.11 0.00 0.00 31.00 31.93 1br9 h PRO 134 CO 1.05 0.05 -0.01 -1.64 -0.21 0.00 0.00 178.00 177.25 1br9 s MET 135 N -6.18 0.69 0.04 1.05 -1.94 -1.26 -4.69 119.30 107.02 1br9 s MET 135 Ca -0.14 1.01 -0.37 0.00 -1.71 0.00 0.00 55.69 54.49 1br9 s MET 135 Cb 0.17 0.23 -0.16 0.00 2.01 0.00 0.00 34.83 37.09 1br9 s MET 135 CO 0.73 -0.12 1.48 -0.89 -0.01 0.00 0.00 175.02 176.20 1br9 n ILE 136 N 3.52 0.08 -4.20 2.53 2.08 -1.26 -3.57 119.36 118.53 1br9 n ILE 136 Ca -0.17 -0.01 -0.35 0.00 0.56 0.00 0.00 62.75 62.77 1br9 n ILE 136 Cb 0.57 -1.08 -0.09 0.00 -0.75 0.00 0.00 39.64 38.29 1br9 n ILE 136 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1br9 s PRO 137 N 1.22 3.23 0.29 0.38 0.04 -1.26 -5.21 135.00 133.69 1br9 s PRO 137 Ca 0.86 -0.32 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1br9 s PRO 137 Cb -0.90 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 1br9 s PRO 137 CO 0.48 0.67 0.04 0.00 0.04 0.00 0.00 177.00 178.23 1br9 s TYR 139 N -3.39 0.00 0.14 0.00 -0.85 -1.26 -5.15 117.35 106.84 1br9 s TYR 139 Ca 0.34 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.59 1br9 s TYR 139 Cb 0.08 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1br9 s TYR 139 CO 0.13 -1.03 -0.11 0.96 -1.52 0.00 0.00 175.55 173.98 1br9 s ILE 140 N -3.93 3.20 -0.12 -3.49 -4.36 -1.26 -5.06 121.20 106.18 1br9 s ILE 140 Ca 0.14 -1.47 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 1br9 s ILE 140 Cb -0.02 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 1br9 s ILE 140 CO 0.03 0.02 -0.13 0.28 0.24 0.00 0.00 174.94 175.39 1br9 h SER 141 N 3.36 0.00 -3.48 4.36 0.02 -2.02 -3.48 113.55 112.31 1br9 h SER 141 Ca -0.48 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.94 1br9 h SER 141 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1br9 h SER 141 CO 0.52 0.64 -0.08 -0.55 -1.14 0.00 0.00 176.83 176.22 1br9 s SER 142 N -5.51 6.66 0.51 3.07 0.15 -1.26 -4.98 113.70 112.34 1br9 s SER 142 Ca -0.11 0.98 0.26 0.00 0.70 0.00 0.00 55.95 57.79 1br9 s SER 142 Cb 0.01 -2.25 1.37 0.00 -1.71 0.00 0.00 66.02 63.44 1br9 s SER 142 CO 0.16 -0.08 2.05 -0.65 1.20 0.00 0.00 173.24 175.91 1br9 h PRO 143 N 2.56 0.00 -1.03 5.44 0.11 -1.93 -2.94 132.00 134.20 1br9 h PRO 143 Ca -0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 1br9 h PRO 143 Cb 1.17 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1br9 h PRO 143 CO 0.68 0.14 0.26 -0.40 -0.21 0.00 0.00 178.00 178.47 1br9 n ASP 144 N -3.68 3.45 -4.35 -2.05 5.68 -1.24 -0.58 116.55 113.78 1br9 n ASP 144 Ca -0.02 -2.65 -0.32 0.00 -0.50 0.00 0.00 54.79 51.31 1br9 n ASP 144 Cb 0.25 -0.66 -0.15 0.00 -1.14 0.00 0.00 41.12 39.43 1br9 n ASP 144 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1br9 s GLU 145 N -1.30 2.63 0.04 0.11 2.12 -1.11 -0.37 118.70 120.81 1br9 s GLU 145 Ca 0.22 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.76 1br9 s GLU 145 Cb 0.19 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 1br9 s GLU 145 CO 0.04 0.44 0.04 0.00 -0.54 0.00 0.00 175.26 175.24 1br9 s LEU 147 N -1.95 4.45 -0.50 0.00 2.96 -1.26 -0.51 118.68 121.87 1br9 s LEU 147 Ca 0.24 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 1br9 s LEU 147 Cb -0.12 -2.14 0.03 0.00 0.50 0.00 0.00 46.19 44.46 1br9 s LEU 147 CO 0.15 -0.21 0.98 0.86 -1.32 0.00 0.00 176.35 176.82 1br9 s TRP 148 N 1.74 2.84 -2.07 5.38 -0.00 0.17 -4.90 118.94 122.11 1br9 s TRP 148 Ca 0.06 0.33 0.25 0.00 -0.00 0.00 0.00 56.10 56.74 1br9 s TRP 148 Cb -0.17 -4.11 0.51 0.00 -0.00 0.00 0.00 33.47 29.69 1br9 s TRP 148 CO 0.11 -1.24 1.41 -1.33 -0.00 0.00 0.00 176.95 175.90 1br9 n MET 149 N 7.46 1.21 -0.16 5.86 2.81 -1.26 -2.00 117.12 131.04 1br9 n MET 149 Ca 0.06 -0.85 -0.05 0.00 -1.81 0.00 0.00 57.70 55.05 1br9 n MET 149 Cb 0.48 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1br9 n MET 149 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1br9 h ASP 150 N 2.08 0.39 -0.34 7.83 3.32 -1.90 -1.89 116.42 125.91 1br9 h ASP 150 Ca 0.00 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.15 1br9 h ASP 150 Cb 0.63 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.04 1br9 h ASP 150 CO 0.00 0.27 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.33 1br9 h TRP 151 N 0.52 -0.54 0.00 4.55 -0.00 -1.80 0.20 115.95 118.87 1br9 h TRP 151 Ca 0.21 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.14 1br9 h TRP 151 Cb 0.10 0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.55 1br9 h TRP 151 CO -0.09 -0.29 0.00 -0.24 -0.00 0.00 0.00 178.44 177.82 1br9 h VAL 152 N -0.16 0.00 0.00 2.65 3.04 -1.55 -2.01 116.25 118.21 1br9 h VAL 152 Ca 0.17 -0.55 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1br9 h VAL 152 Cb 0.43 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 1br9 h VAL 152 CO -0.44 0.00 -1.53 0.35 -1.01 0.00 0.00 177.57 174.94 1br9 n THR 153 N -2.44 0.10 0.00 3.17 -2.24 -0.84 -4.81 114.28 107.22 1br9 n THR 153 Ca 0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1br9 n THR 153 Cb 0.43 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1br9 n THR 153 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1br9 n GLU 154 N -1.95 2.15 -0.88 -0.78 1.02 0.68 -5.01 120.64 115.87 1br9 n GLU 154 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1br9 n GLU 154 Cb 0.37 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 1br9 n GLU 154 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1br9 n LYS 155 N -1.56 0.00 -4.69 3.49 3.00 -0.76 -5.02 118.16 112.63 1br9 n LYS 155 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1br9 n LYS 155 Cb 0.22 -2.30 -0.14 0.00 0.00 0.00 0.00 35.03 32.81 1br9 n LYS 155 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1br9 s ASN 156 N -2.78 2.92 0.00 3.14 2.47 -1.26 -4.95 114.94 114.48 1br9 s ASN 156 Ca 0.00 -0.60 0.24 0.00 0.42 0.00 0.00 52.86 52.92 1br9 s ASN 156 Cb 0.00 -0.24 0.36 0.00 -1.45 0.00 0.00 41.25 39.92 1br9 s ASN 156 CO 0.00 0.20 1.31 2.30 -3.72 0.00 0.00 177.10 177.19 1br9 n ILE 157 N 1.60 0.00 -1.92 -5.21 -5.35 -1.26 -3.42 119.36 103.80 1br9 n ILE 157 Ca -0.17 -0.04 -0.32 0.00 -0.27 0.00 0.00 62.75 61.95 1br9 n ILE 157 Cb 0.53 0.50 0.04 0.00 -1.74 0.00 0.00 39.64 38.96 1br9 n ILE 157 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1br9 n ASN 158 N -1.26 6.34 -2.84 7.28 4.05 -1.26 -4.84 115.26 122.73 1br9 n ASN 158 Ca 0.07 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 51.32 1br9 n ASN 158 Cb 0.34 -0.74 0.00 0.00 1.23 0.00 0.00 39.78 40.61 1br9 n ASN 158 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1br9 n GLY 159 N -0.66 0.82 0.20 8.20 0.00 -1.23 -4.60 105.19 107.92 1br9 n GLY 159 Ca 0.51 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1br9 n GLY 159 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1br9 h HIS 160 N 0.00 0.67 -0.35 1.61 2.76 -1.92 -1.81 115.15 116.10 1br9 h HIS 160 Ca 0.00 -0.09 -0.14 0.00 -2.20 0.00 0.00 60.37 57.93 1br9 h HIS 160 Cb 0.00 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1br9 h HIS 160 CO 0.00 0.67 -0.35 1.96 -1.30 0.00 0.00 177.93 178.91 1br9 h GLN 161 N 0.47 0.81 -0.52 5.26 4.20 -1.93 -1.46 115.11 121.93 1br9 h GLN 161 Ca 0.11 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 58.31 1br9 h GLN 161 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1br9 h GLN 161 CO 0.01 1.03 -0.11 0.00 -0.67 0.00 0.00 178.83 179.09 1br9 h ALA 162 N 0.93 0.82 0.04 3.87 0.00 -1.82 -0.07 119.26 123.03 1br9 h ALA 162 Ca 0.06 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1br9 h ALA 162 Cb 0.91 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1br9 h ALA 162 CO 0.08 0.66 -1.02 0.87 0.00 0.00 0.00 179.25 179.84 1br9 h LYS 163 N 0.87 0.16 0.00 0.00 1.57 -1.22 -3.42 116.57 114.53 1br9 h LYS 163 Ca 0.14 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1br9 h LYS 163 Cb 0.66 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1br9 h LYS 163 CO 0.05 1.04 0.00 1.19 -0.57 0.00 0.00 179.45 181.16 1br9 n PHE 164 N -3.53 0.00 -4.70 -1.35 3.72 -0.56 -4.02 117.46 107.02 1br9 n PHE 164 Ca -0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.06 1br9 n PHE 164 Cb 0.91 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 39.31 1br9 n PHE 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1br9 s PHE 165 N -0.41 2.41 0.09 1.38 0.40 -0.04 -4.39 117.98 117.41 1br9 s PHE 165 Ca 0.00 -0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1br9 s PHE 165 Cb 0.00 -1.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 1br9 s PHE 165 CO 0.00 0.22 -0.19 0.00 0.70 0.00 0.00 175.22 175.95 1br9 s ALA 166 N -0.91 1.66 -0.45 5.36 0.00 -0.68 -4.71 121.76 122.03 1br9 s ALA 166 Ca 0.13 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.75 1br9 s ALA 166 Cb -0.10 -0.22 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1br9 s ALA 166 CO 0.04 0.32 0.48 0.00 0.00 0.00 0.00 175.76 176.60 1br9 s ILE 168 N 2.16 3.21 -0.07 0.00 -1.09 -0.38 -3.99 121.20 121.04 1br9 s ILE 168 Ca 0.11 -0.65 -0.24 0.00 -2.23 0.00 0.00 60.65 57.65 1br9 s ILE 168 Cb -0.19 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1br9 s ILE 168 CO 0.12 0.57 0.71 -0.75 -1.23 0.00 0.00 174.94 174.35 1br9 s LYS 169 N -0.40 4.44 0.45 2.79 2.20 -1.09 -2.09 119.74 126.04 1br9 s LYS 169 Ca 0.05 0.90 0.07 0.00 -0.36 0.00 0.00 55.97 56.62 1br9 s LYS 169 Cb -0.12 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1br9 s LYS 169 CO 0.02 0.06 0.62 1.03 -0.36 0.00 0.00 175.35 176.72 1br9 s ARG 170 N 0.82 2.75 -0.41 4.03 3.00 0.86 -4.99 118.95 125.01 1br9 s ARG 170 Ca 0.38 -1.15 -0.28 0.00 0.00 0.00 0.00 55.73 54.68 1br9 s ARG 170 Cb -0.18 -2.70 -0.03 0.00 0.00 0.00 0.00 34.95 32.05 1br9 s ARG 170 CO 0.18 -0.39 1.93 0.45 0.00 0.00 0.00 175.30 177.48 1br9 s SER 171 N -4.38 5.51 0.00 0.23 0.15 -1.26 -2.32 113.70 111.63 1br9 s SER 171 Ca 0.56 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1br9 s SER 171 Cb -0.10 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1br9 s SER 171 CO 0.34 -2.05 0.00 -0.90 1.20 0.00 0.00 173.24 171.84 1br9 n ASP 172 N 11.75 0.00 0.00 5.45 5.75 -1.26 -4.79 116.55 133.45 1br9 n ASP 172 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1br9 n ASP 172 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1br9 n ASP 172 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1br9 n GLY 173 N 0.00 0.80 3.92 6.12 0.00 -0.98 -5.05 105.19 110.00 1br9 n GLY 173 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1br9 n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1br9 s SER 174 N -2.74 6.41 0.27 1.61 1.04 -1.26 -3.71 113.70 115.33 1br9 s SER 174 Ca 0.00 0.46 0.12 0.00 0.48 0.00 0.00 55.95 57.00 1br9 s SER 174 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 1br9 s SER 174 CO 0.00 -0.03 -0.18 0.00 0.98 0.00 0.00 173.24 174.01 1br9 s ALA 176 N -2.41 -1.39 0.21 0.00 0.00 -0.89 -4.64 121.76 112.64 1br9 s ALA 176 Ca 0.29 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1br9 s ALA 176 Cb -0.05 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 1br9 s ALA 176 CO 0.15 -0.45 1.20 -1.58 0.00 0.00 0.00 175.76 175.08 1br9 s TRP 177 N -2.04 3.41 0.04 0.00 0.52 -1.26 -1.25 118.94 118.36 1br9 s TRP 177 Ca -0.07 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.51 1br9 s TRP 177 Cb -0.01 -3.44 -0.02 0.00 -1.15 0.00 0.00 33.47 28.84 1br9 s TRP 177 CO 0.02 -1.21 -0.08 0.71 0.02 0.00 0.00 176.95 176.41 1br9 s TYR 178 N -0.27 0.68 -1.84 -1.98 2.02 -0.24 -4.95 117.35 110.77 1br9 s TYR 178 Ca 0.52 -0.52 0.22 0.00 -0.37 0.00 0.00 57.07 56.92 1br9 s TYR 178 Cb -0.33 -0.41 0.67 0.00 -0.40 0.00 0.00 41.96 41.49 1br9 s TYR 178 CO 0.38 -0.09 1.57 -2.13 -1.57 0.00 0.00 175.55 173.71 1br9 n ARG 179 N 1.40 2.92 -0.64 -0.62 0.63 -1.26 -1.68 116.66 117.41 1br9 n ARG 179 Ca -0.22 -2.73 0.00 0.00 -0.92 0.00 0.00 57.85 53.98 1br9 n ARG 179 Cb 0.55 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.82 1br9 n ARG 179 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1br9 n GLY 180 N 1.59 -2.38 3.62 5.14 0.00 -1.26 -4.80 105.19 107.09 1br9 n GLY 180 Ca 0.25 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1br9 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1br9 s ALA 181 N 0.00 3.48 0.00 4.61 0.00 -1.26 -5.17 121.76 123.42 1br9 s ALA 181 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1br9 s ALA 181 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1br9 s ALA 181 CO 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 175.76 174.34