#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azd s ASP 2 N 0.00 6.95 -0.23 0.00 1.01 -1.26 -5.04 116.67 118.10 1azd s ASP 2 Ca 0.00 1.84 -0.17 0.00 0.71 0.00 0.00 52.55 54.93 1azd s ASP 2 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1azd s ASP 2 CO 0.00 -0.35 0.47 -0.89 0.21 0.00 0.00 175.17 174.61 1azd s THR 3 N -1.87 5.13 -0.07 -1.27 2.01 -1.26 -5.04 115.64 113.27 1azd s THR 3 Ca 0.58 0.81 0.03 0.00 0.31 0.00 0.00 61.69 63.43 1azd s THR 3 Cb -0.16 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1azd s THR 3 CO 0.20 0.16 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.49 1azd s ILE 4 N 1.83 1.56 -0.12 1.82 -1.09 -1.26 -3.15 121.20 120.79 1azd s ILE 4 Ca 0.21 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.90 1azd s ILE 4 Cb -0.15 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 1azd s ILE 4 CO 0.09 0.45 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.37 1azd s VAL 5 N 0.38 2.53 0.04 2.92 1.01 -0.56 -0.67 120.40 126.05 1azd s VAL 5 Ca -0.13 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1azd s VAL 5 Cb -0.16 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1azd s VAL 5 CO 0.05 0.54 0.10 0.00 0.00 0.00 0.00 175.10 175.79 1azd s ALA 6 N 0.43 -0.07 -0.19 5.51 0.00 -0.80 -0.16 121.76 126.48 1azd s ALA 6 Ca -0.13 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1azd s ALA 6 Cb -0.17 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1azd s ALA 6 CO 0.06 -0.34 -0.09 0.08 0.00 0.00 0.00 175.76 175.47 1azd s VAL 7 N -2.76 3.04 -0.13 0.00 1.01 0.11 -1.36 120.40 120.30 1azd s VAL 7 Ca -0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1azd s VAL 7 Cb -0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1azd s VAL 7 CO -0.05 0.47 -0.02 -1.83 0.00 0.00 0.00 175.10 173.67 1azd s GLU 8 N 1.20 3.46 -0.53 2.72 -1.05 -0.17 -1.65 118.70 122.69 1azd s GLU 8 Ca 0.02 -0.47 -0.17 0.00 -0.15 0.00 0.00 54.97 54.20 1azd s GLU 8 Cb -0.14 -2.89 0.10 0.00 -0.44 0.00 0.00 34.13 30.75 1azd s GLU 8 CO -0.03 0.40 0.54 -0.51 0.95 0.00 0.00 175.26 176.60 1azd s LEU 9 N -0.04 5.69 -0.34 1.83 1.02 0.11 -1.25 118.68 125.69 1azd s LEU 9 Ca 0.02 -1.46 -0.10 0.00 0.02 0.00 0.00 54.13 52.60 1azd s LEU 9 Cb -0.13 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1azd s LEU 9 CO 0.02 -0.87 0.18 -0.62 0.02 0.00 0.00 176.35 175.09 1azd s ASP 10 N 3.22 5.67 0.00 2.29 -1.08 -0.09 -1.02 116.67 125.66 1azd s ASP 10 Ca 0.07 -0.69 0.24 0.00 -0.52 0.00 0.00 52.55 51.65 1azd s ASP 10 Cb -0.26 -2.03 0.58 0.00 -1.46 0.00 0.00 42.92 39.75 1azd s ASP 10 CO 0.06 -0.27 1.47 0.35 0.52 0.00 0.00 175.17 177.30 1azd n THR 11 N 5.00 0.21 -3.68 1.71 -2.24 -0.99 -2.06 114.28 112.23 1azd n THR 11 Ca -0.13 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.06 1azd n THR 11 Cb 0.48 0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 69.44 1azd n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1azd s TYR 12 N -1.79 -0.55 -0.68 4.78 6.14 -1.26 -4.62 117.35 119.37 1azd s TYR 12 Ca 0.34 1.16 -0.22 0.00 0.64 0.00 0.00 57.07 58.99 1azd s TYR 12 Cb 0.20 0.14 0.08 0.00 0.42 0.00 0.00 41.96 42.80 1azd s TYR 12 CO 0.30 -0.36 0.97 -1.25 0.64 0.00 0.00 175.55 175.84 1azd s PRO 13 N 2.03 3.15 -1.22 4.97 0.04 -1.26 -4.95 135.00 137.76 1azd s PRO 13 Ca -0.04 -0.94 -0.17 0.00 0.04 0.00 0.00 61.00 59.89 1azd s PRO 13 Cb -0.11 -4.30 0.11 0.00 0.04 0.00 0.00 34.50 30.24 1azd s PRO 13 CO -0.11 -1.80 1.56 -0.80 0.04 0.00 0.00 177.00 175.90 1azd s ASN 14 N 3.69 6.89 0.48 6.66 -0.87 -1.26 -4.85 114.94 125.68 1azd s ASN 14 Ca 0.22 -2.55 0.16 0.00 -1.57 0.00 0.00 52.86 49.13 1azd s ASN 14 Cb -0.16 -2.50 1.15 0.00 -0.02 0.00 0.00 41.25 39.71 1azd s ASN 14 CO 0.08 -1.03 2.06 0.71 -2.57 0.00 0.00 177.10 176.35 1azd h THR 15 N 5.34 1.04 0.00 1.60 1.35 -1.89 -1.99 112.91 118.36 1azd h THR 15 Ca 0.36 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1azd h THR 15 Cb 0.89 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1azd h THR 15 CO 1.36 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.83 1azd n ASP 16 N -4.34 0.43 -0.48 5.36 5.75 -1.26 -1.56 116.55 120.45 1azd n ASP 16 Ca -0.03 0.65 0.07 0.00 -0.01 0.00 0.00 54.79 55.47 1azd n ASP 16 Cb 0.19 -0.72 0.15 0.00 -1.03 0.00 0.00 41.12 39.70 1azd n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1azd n ILE 17 N -2.02 1.70 0.00 2.12 -5.35 -0.76 -4.98 119.36 110.06 1azd n ILE 17 Ca 0.01 -2.40 0.00 0.00 -0.27 0.00 0.00 62.75 60.09 1azd n ILE 17 Cb 0.12 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 1azd n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1azd n GLY 18 N -0.99 1.08 3.72 3.28 0.00 -0.60 -4.61 105.19 107.07 1azd n GLY 18 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1azd n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azd s ASP 19 N -2.00 7.36 0.37 1.61 1.11 -1.12 -4.84 116.67 119.16 1azd s ASP 19 Ca 0.00 1.80 -0.25 0.00 0.18 0.00 0.00 52.55 54.28 1azd s ASP 19 Cb 0.00 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.28 1azd s ASP 19 CO 0.00 -0.22 0.80 -0.81 1.18 0.00 0.00 175.17 176.12 1azd n PRO 20 N 3.34 0.94 -0.43 8.23 -0.04 -1.26 -4.27 135.00 141.52 1azd n PRO 20 Ca 0.05 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1azd n PRO 20 Cb 0.49 -1.70 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 1azd n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1azd n SER 21 N 1.11 4.11 -3.61 3.54 3.41 -1.26 -4.69 113.62 116.22 1azd n SER 21 Ca 0.11 -2.10 -0.11 0.00 -0.26 0.00 0.00 58.87 56.51 1azd n SER 21 Cb 0.36 -0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 1azd n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1azd s TYR 22 N 0.57 -0.26 -0.00 7.33 -0.85 -1.26 -4.96 117.35 117.91 1azd s TYR 22 Ca 0.05 0.00 -0.40 0.00 -0.52 0.00 0.00 57.07 56.21 1azd s TYR 22 Cb 0.03 0.29 -0.20 0.00 0.38 0.00 0.00 41.96 42.46 1azd s TYR 22 CO 0.00 -0.70 1.11 -2.30 -1.52 0.00 0.00 175.55 172.14 1azd n PRO 23 N -0.12 0.13 -3.71 -3.49 -0.02 -1.26 -4.64 135.00 121.88 1azd n PRO 23 Ca -0.17 0.05 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 1azd n PRO 23 Cb 0.63 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1azd n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1azd s HIS 24 N 0.13 -0.20 0.14 6.00 -3.43 -0.88 0.93 115.29 117.99 1azd s HIS 24 Ca 0.91 0.16 -0.01 0.00 -0.80 0.00 0.00 55.06 55.31 1azd s HIS 24 Cb -1.24 0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.03 1azd s HIS 24 CO 0.56 -0.52 0.33 0.96 -2.00 0.00 0.00 174.74 174.07 1azd s ILE 25 N -2.31 5.26 0.14 -5.38 -4.36 -0.52 -0.91 121.20 113.11 1azd s ILE 25 Ca -0.06 -0.31 -0.13 0.00 -0.26 0.00 0.00 60.65 59.88 1azd s ILE 25 Cb -0.01 -3.68 0.02 0.00 1.25 0.00 0.00 42.46 40.03 1azd s ILE 25 CO -0.01 -0.03 0.35 -0.83 0.24 0.00 0.00 174.94 174.66 1azd s GLY 26 N -2.82 0.02 -0.24 6.27 0.00 -0.38 -1.07 107.32 109.10 1azd s GLY 26 Ca 0.38 -0.41 -0.04 0.00 0.00 0.00 0.00 44.72 44.65 1azd s GLY 26 CO 0.28 -0.54 -0.03 -0.42 0.00 0.00 0.00 173.10 172.39 1azd s ILE 27 N -3.87 3.33 -0.16 0.90 1.01 -0.28 -1.00 121.20 121.13 1azd s ILE 27 Ca 0.08 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1azd s ILE 27 Cb 0.02 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1azd s ILE 27 CO -0.07 0.33 0.04 -1.81 0.00 0.00 0.00 174.94 173.43 1azd s ASP 28 N 1.45 5.45 -0.44 3.58 1.01 -0.47 0.16 116.67 127.42 1azd s ASP 28 Ca 0.04 0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.41 1azd s ASP 28 Cb -0.15 -1.85 0.12 0.00 1.01 0.00 0.00 42.92 42.05 1azd s ASP 28 CO -0.03 0.22 0.18 -0.63 0.21 0.00 0.00 175.17 175.13 1azd s ILE 29 N 0.06 2.14 0.00 0.77 -1.09 -1.26 -1.90 121.20 119.91 1azd s ILE 29 Ca 0.04 -2.74 0.00 0.00 -2.23 0.00 0.00 60.65 55.72 1azd s ILE 29 Cb -0.12 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.23 1azd s ILE 29 CO 0.01 -0.75 0.00 0.29 -1.23 0.00 0.00 174.94 173.26 1azd n LYS 30 N 3.67 0.00 -4.10 2.79 5.02 0.16 -4.93 118.16 120.76 1azd n LYS 30 Ca 0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.21 1azd n LYS 30 Cb 0.36 -2.67 -0.11 0.00 -0.02 0.00 0.00 35.03 32.59 1azd n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1azd s SER 31 N -3.07 1.03 0.46 4.39 0.15 -1.26 -4.86 113.70 110.54 1azd s SER 31 Ca 0.00 -0.67 0.26 0.00 0.70 0.00 0.00 55.95 56.24 1azd s SER 31 Cb 0.00 0.04 0.72 0.00 -1.71 0.00 0.00 66.02 65.07 1azd s SER 31 CO 0.00 -0.25 1.74 1.62 1.20 0.00 0.00 173.24 177.55 1azd h VAL 32 N 4.09 0.16 -1.71 4.45 3.04 -1.87 -3.40 116.25 121.02 1azd h VAL 32 Ca -0.36 -0.98 -0.52 0.00 -1.01 0.00 0.00 66.70 63.83 1azd h VAL 32 Cb 1.19 1.85 -0.07 0.00 -2.01 0.00 0.00 31.29 32.25 1azd h VAL 32 CO 0.46 0.08 1.20 -0.13 -1.01 0.00 0.00 177.57 178.17 1azd s ARG 33 N -3.39 3.13 0.42 4.17 0.52 -1.26 -4.95 118.95 117.59 1azd s ARG 33 Ca 0.04 -0.36 -0.24 0.00 -0.52 0.00 0.00 55.73 54.65 1azd s ARG 33 Cb 0.07 -4.68 -0.11 0.00 0.52 0.00 0.00 34.95 30.75 1azd s ARG 33 CO 0.63 -2.43 0.96 0.43 0.02 0.00 0.00 175.30 174.92 1azd n SER 34 N 10.42 1.04 0.26 0.23 7.64 -1.26 -4.84 113.62 127.11 1azd n SER 34 Ca 0.20 1.02 0.16 0.00 1.01 0.00 0.00 58.87 61.25 1azd n SER 34 Cb 0.50 -1.33 0.58 0.00 -1.01 0.00 0.00 64.21 62.95 1azd n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1azd h LYS 35 N 1.44 0.00 -1.54 1.43 1.79 -0.62 -3.46 116.57 115.60 1azd h LYS 35 Ca -0.44 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.10 1azd h LYS 35 Cb 1.34 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.73 1azd h LYS 35 CO 0.56 0.03 0.50 0.21 -1.08 0.00 0.00 179.45 179.67 1azd s LYS 36 N -3.60 0.47 0.31 3.15 2.47 -1.24 -5.00 119.74 116.29 1azd s LYS 36 Ca 0.02 0.51 0.07 0.00 -1.56 0.00 0.00 55.97 55.01 1azd s LYS 36 Cb 0.08 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.66 1azd s LYS 36 CO 0.57 -0.06 0.27 0.25 0.16 0.00 0.00 175.35 176.54 1azd n THR 37 N 2.03 0.00 -3.60 3.43 -2.24 -1.26 -1.13 114.28 111.52 1azd n THR 37 Ca -0.12 -2.22 -0.15 0.00 -2.27 0.00 0.00 64.05 59.29 1azd n THR 37 Cb 0.56 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.84 1azd n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1azd s ALA 38 N -3.22 -1.76 0.36 6.98 0.00 -0.23 -4.97 121.76 118.92 1azd s ALA 38 Ca 0.36 1.77 -0.28 0.00 0.00 0.00 0.00 51.96 53.81 1azd s ALA 38 Cb 0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 1azd s ALA 38 CO 0.26 -0.35 1.38 0.21 0.00 0.00 0.00 175.76 177.26 1azd s LYS 39 N -0.16 4.18 -0.09 0.00 2.20 -1.26 -1.44 119.74 123.18 1azd s LYS 39 Ca -0.04 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1azd s LYS 39 Cb -0.03 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1azd s LYS 39 CO 0.04 -0.38 -0.06 -0.46 -0.36 0.00 0.00 175.35 174.12 1azd s TRP 40 N -1.15 1.21 -1.20 4.03 -0.00 0.27 -4.73 118.94 117.36 1azd s TRP 40 Ca 0.52 -0.51 -0.16 0.00 -0.00 0.00 0.00 56.10 55.94 1azd s TRP 40 Cb -0.42 -1.04 0.13 0.00 -0.00 0.00 0.00 33.47 32.14 1azd s TRP 40 CO 0.56 -0.39 1.50 -0.80 -0.00 0.00 0.00 176.95 177.82 1azd s ASN 41 N 1.46 6.93 -0.05 5.86 0.02 -1.26 -4.39 114.94 123.50 1azd s ASN 41 Ca -0.01 -2.66 -0.35 0.00 -1.02 0.00 0.00 52.86 48.83 1azd s ASN 41 Cb -0.13 -2.46 -0.13 0.00 0.02 0.00 0.00 41.25 38.55 1azd s ASN 41 CO -0.04 -0.94 1.80 0.80 0.02 0.00 0.00 177.10 178.73 1azd n MET 42 N 6.73 2.07 -3.50 -0.60 0.00 -1.26 -4.93 117.12 115.62 1azd n MET 42 Ca 0.39 0.75 -0.41 0.00 -0.00 0.00 0.00 57.70 58.44 1azd n MET 42 Cb 0.45 -2.57 -0.04 0.00 0.00 0.00 0.00 33.22 31.06 1azd n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1azd s GLN 43 N 3.35 3.61 -0.18 2.12 -0.21 -1.26 -5.05 119.66 122.04 1azd s GLN 43 Ca 0.90 -3.13 -0.39 0.00 0.02 0.00 0.00 55.36 52.77 1azd s GLN 43 Cb -0.73 -4.21 -0.15 0.00 1.00 0.00 0.00 33.01 28.92 1azd s GLN 43 CO 0.50 -1.25 1.69 -1.71 -2.12 0.00 0.00 175.29 172.40 1azd n ASN 44 N 2.71 2.39 0.00 5.90 5.15 -1.26 -1.27 115.26 128.88 1azd n ASN 44 Ca 0.21 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 1azd n ASN 44 Cb 0.39 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.46 1azd n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1azd n GLY 45 N 3.91 2.48 3.90 8.20 0.00 0.07 -4.98 105.19 118.77 1azd n GLY 45 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1azd n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1azd s LYS 46 N -0.97 3.56 -0.19 1.61 -0.14 -0.40 -4.94 119.74 118.26 1azd s LYS 46 Ca 0.00 -0.19 -0.24 0.00 -1.36 0.00 0.00 55.97 54.18 1azd s LYS 46 Cb 0.00 -2.94 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 1azd s LYS 46 CO 0.00 0.54 0.80 0.08 -0.76 0.00 0.00 175.35 176.01 1azd s VAL 47 N -1.56 4.89 0.50 3.17 1.01 -1.26 -4.34 120.40 122.81 1azd s VAL 47 Ca 0.37 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1azd s VAL 47 Cb -0.13 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1azd s VAL 47 CO 0.24 0.01 0.44 -0.83 0.00 0.00 0.00 175.10 174.97 1azd s GLY 48 N 1.22 2.21 -0.07 4.51 0.00 -0.15 -4.18 107.32 110.85 1azd s GLY 48 Ca 0.36 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 1azd s GLY 48 CO 0.11 -1.83 0.14 -1.59 0.00 0.00 0.00 173.10 169.93 1azd s THR 49 N -2.66 -0.11 -0.14 0.90 2.01 -0.47 -1.78 115.64 113.40 1azd s THR 49 Ca 0.42 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.68 1azd s THR 49 Cb -0.03 -0.25 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 1azd s THR 49 CO 0.26 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 174.10 1azd s ALA 50 N 1.51 2.39 -0.18 7.40 0.00 -0.90 -0.99 121.76 130.99 1azd s ALA 50 Ca -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 1azd s ALA 50 Cb -0.12 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 1azd s ALA 50 CO -0.06 0.08 -0.08 -1.01 0.00 0.00 0.00 175.76 174.69 1azd s HIS 51 N 0.64 2.91 -0.06 0.00 3.76 -0.20 -2.59 115.29 119.75 1azd s HIS 51 Ca -0.09 -0.83 -0.00 0.00 -0.15 0.00 0.00 55.06 53.98 1azd s HIS 51 Cb -0.16 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1azd s HIS 51 CO 0.02 -0.41 -0.03 0.42 -0.85 0.00 0.00 174.74 173.89 1azd s ILE 52 N 1.02 4.05 -0.00 0.60 1.09 0.08 -1.49 121.20 126.55 1azd s ILE 52 Ca -0.00 -0.41 -0.02 0.00 -1.10 0.00 0.00 60.65 59.12 1azd s ILE 52 Cb -0.15 -2.71 -0.01 0.00 -1.06 0.00 0.00 42.46 38.54 1azd s ILE 52 CO -0.01 0.55 0.04 -0.63 -0.10 0.00 0.00 174.94 174.79 1azd s ILE 53 N -0.90 0.06 -0.14 2.92 1.01 -0.20 -1.58 121.20 122.37 1azd s ILE 53 Ca 0.14 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 1azd s ILE 53 Cb -0.11 -0.21 0.07 0.00 0.01 0.00 0.00 42.46 42.22 1azd s ILE 53 CO 0.04 -0.26 0.68 -0.47 0.00 0.00 0.00 174.94 174.93 1azd s TYR 54 N -0.78 -0.70 -0.11 3.97 5.04 -0.60 -1.60 117.35 122.56 1azd s TYR 54 Ca -0.09 1.44 -0.20 0.00 -2.44 0.00 0.00 57.07 55.79 1azd s TYR 54 Cb -0.05 0.34 0.05 0.00 0.35 0.00 0.00 41.96 42.64 1azd s TYR 54 CO -0.00 -0.50 0.49 0.54 -1.34 0.00 0.00 175.55 174.74 1azd s ASN 55 N -0.51 -0.47 0.00 4.32 2.20 -1.26 -1.19 114.94 118.03 1azd s ASN 55 Ca -0.06 0.71 0.30 0.00 -0.94 0.00 0.00 52.86 52.87 1azd s ASN 55 Cb -0.02 0.74 1.41 0.00 -2.00 0.00 0.00 41.25 41.38 1azd s ASN 55 CO 0.06 -0.34 1.99 -1.54 -2.94 0.00 0.00 177.10 174.33 1azd n SER 56 N 1.99 0.07 -0.06 3.54 3.41 0.36 -1.50 113.62 121.44 1azd n SER 56 Ca -0.17 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 1azd n SER 56 Cb 0.56 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 64.11 1azd n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1azd h VAL 57 N 0.06 1.62 0.00 -3.33 2.07 -1.85 -3.34 116.25 111.48 1azd h VAL 57 Ca 0.00 -2.08 -0.15 0.00 0.82 0.00 0.00 66.70 65.29 1azd h VAL 57 Cb 0.34 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 1azd h VAL 57 CO 0.00 0.52 -0.70 1.23 0.02 0.00 0.00 177.57 178.64 1azd h GLY 58 N -0.93 0.00 -6.26 2.17 0.00 -1.95 -3.47 103.07 92.63 1azd h GLY 58 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1azd h GLY 58 CO 0.00 0.00 -0.83 0.28 0.00 0.00 0.00 176.54 175.99 1azd n LYS 59 N -3.54 -4.56 -3.71 4.80 5.02 -0.56 -4.94 118.16 110.67 1azd n LYS 59 Ca -0.00 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.58 1azd n LYS 59 Cb 0.72 -5.08 -0.17 0.00 -0.02 0.00 0.00 35.03 30.49 1azd n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1azd s ARG 60 N -6.29 0.47 -0.12 1.97 3.52 -1.26 -0.66 118.95 116.58 1azd s ARG 60 Ca 0.16 -0.21 -0.25 0.00 -0.13 0.00 0.00 55.73 55.31 1azd s ARG 60 Cb -0.08 -1.77 -0.02 0.00 -1.56 0.00 0.00 34.95 31.51 1azd s ARG 60 CO 0.84 -0.57 0.80 -1.17 -0.81 0.00 0.00 175.30 174.38 1azd s LEU 61 N 1.96 4.23 0.13 -0.88 2.96 -0.28 -4.52 118.68 122.28 1azd s LEU 61 Ca 0.01 1.21 0.06 0.00 -0.22 0.00 0.00 54.13 55.20 1azd s LEU 61 Cb -0.16 -3.21 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1azd s LEU 61 CO -0.07 -0.30 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.07 1azd s SER 62 N 1.04 2.14 0.00 3.68 0.01 -0.63 -0.64 113.70 119.30 1azd s SER 62 Ca 0.39 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 1azd s SER 62 Cb -0.17 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1azd s SER 62 CO 0.16 -0.11 0.06 0.00 0.41 0.00 0.00 173.24 173.75 1azd s ALA 63 N -2.06 -0.12 -0.02 1.44 0.00 0.89 -1.03 121.76 120.86 1azd s ALA 63 Ca 0.10 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1azd s ALA 63 Cb -0.05 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1azd s ALA 63 CO 0.04 -0.16 -0.04 0.08 0.00 0.00 0.00 175.76 175.68 1azd s VAL 64 N -1.15 0.41 -0.14 0.00 1.01 -0.56 -1.28 120.40 118.69 1azd s VAL 64 Ca -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1azd s VAL 64 Cb -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1azd s VAL 64 CO 0.00 0.15 -0.18 -0.69 0.00 0.00 0.00 175.10 174.39 1azd s VAL 65 N 0.32 2.49 0.03 2.92 1.01 -0.42 -1.03 120.40 125.71 1azd s VAL 65 Ca -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1azd s VAL 65 Cb -0.07 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1azd s VAL 65 CO -0.00 0.53 -0.10 -0.94 0.00 0.00 0.00 175.10 174.58 1azd s SER 66 N 0.75 1.18 0.11 3.32 1.04 -0.16 -1.16 113.70 118.77 1azd s SER 66 Ca -0.07 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1azd s SER 66 Cb -0.16 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 1azd s SER 66 CO 0.01 -0.04 -0.04 -0.31 0.98 0.00 0.00 173.24 173.83 1azd s TYR 67 N -0.88 2.87 0.11 5.02 2.02 -0.37 -1.36 117.35 124.75 1azd s TYR 67 Ca -0.02 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.27 1azd s TYR 67 Cb -0.07 -1.47 -0.10 0.00 -0.40 0.00 0.00 41.96 39.91 1azd s TYR 67 CO 0.01 0.46 1.86 -0.35 -1.57 0.00 0.00 175.55 175.97 1azd n PRO 68 N 0.53 2.84 -2.55 -1.71 -0.04 -1.26 -3.37 135.00 129.44 1azd n PRO 68 Ca -0.12 1.03 -0.04 0.00 -0.04 0.00 0.00 63.50 64.34 1azd n PRO 68 Cb 0.52 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1azd n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1azd n ASN 69 N 5.94 -6.89 0.00 3.54 3.02 -1.26 -4.85 115.26 114.75 1azd n ASN 69 Ca 0.18 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1azd n ASN 69 Cb 0.38 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 34.98 1azd n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1azd n GLY 70 N 0.08 0.94 3.77 7.41 0.00 -1.22 -5.10 105.19 111.07 1azd n GLY 70 Ca 0.05 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1azd n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azd s ASP 71 N -4.00 6.61 -0.04 1.61 1.11 -1.26 -4.71 116.67 115.99 1azd s ASP 71 Ca 0.00 2.81 0.01 0.00 0.18 0.00 0.00 52.55 55.55 1azd s ASP 71 Cb 0.00 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.36 1azd s ASP 71 CO 0.00 -0.68 -0.04 -0.94 1.18 0.00 0.00 175.17 174.69 1azd s SER 72 N -0.22 0.84 0.12 0.27 1.04 -1.26 -1.24 113.70 113.25 1azd s SER 72 Ca 0.52 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1azd s SER 72 Cb -0.42 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 1azd s SER 72 CO 0.55 -0.06 0.26 0.00 0.98 0.00 0.00 173.24 174.97 1azd s ALA 73 N 0.89 3.98 -0.02 5.32 0.00 -0.31 -4.98 121.76 126.63 1azd s ALA 73 Ca -0.12 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1azd s ALA 73 Cb -0.14 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.19 1azd s ALA 73 CO 0.00 0.64 0.36 -0.08 0.00 0.00 0.00 175.76 176.68 1azd s THR 74 N -1.66 0.05 -0.23 0.00 -1.32 -1.26 -1.31 115.64 109.91 1azd s THR 74 Ca 0.35 -0.40 -0.25 0.00 -1.21 0.00 0.00 61.69 60.19 1azd s THR 74 Cb -0.12 -0.65 0.07 0.00 -1.51 0.00 0.00 72.50 70.29 1azd s THR 74 CO 0.28 -0.22 0.68 0.54 -2.21 0.00 0.00 174.62 173.70 1azd s VAL 75 N -1.23 0.00 0.05 5.08 0.11 -0.40 -4.75 120.40 119.25 1azd s VAL 75 Ca -0.13 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1azd s VAL 75 Cb -0.04 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1azd s VAL 75 CO 0.05 -0.00 0.01 -0.44 -3.33 0.00 0.00 175.10 171.39 1azd s SER 76 N 0.17 0.36 -0.25 3.54 0.01 -1.26 -0.08 113.70 116.20 1azd s SER 76 Ca -0.01 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 1azd s SER 76 Cb -0.04 0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.51 1azd s SER 76 CO 0.02 -0.56 0.52 -0.47 0.41 0.00 0.00 173.24 173.16 1azd s TYR 77 N -3.35 -1.07 -0.20 2.43 5.04 0.19 -4.99 117.35 115.40 1azd s TYR 77 Ca 0.02 1.79 -0.29 0.00 -2.44 0.00 0.00 57.07 56.14 1azd s TYR 77 Cb 0.04 0.49 -0.02 0.00 0.35 0.00 0.00 41.96 42.82 1azd s TYR 77 CO -0.08 -0.60 1.45 -0.51 -1.34 0.00 0.00 175.55 174.47 1azd s ASP 78 N 2.73 6.64 -0.17 4.32 1.11 -1.26 -1.12 116.67 128.92 1azd s ASP 78 Ca -0.00 1.62 -0.17 0.00 0.18 0.00 0.00 52.55 54.18 1azd s ASP 78 Cb -0.13 -2.54 0.05 0.00 1.07 0.00 0.00 42.92 41.38 1azd s ASP 78 CO -0.16 -1.04 0.48 0.54 1.18 0.00 0.00 175.17 176.18 1azd s VAL 79 N 4.38 0.00 -0.50 -1.27 0.11 0.16 -4.96 120.40 118.33 1azd s VAL 79 Ca 0.63 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.51 1azd s VAL 79 Cb -0.23 -0.68 0.09 0.00 -1.53 0.00 0.00 36.38 34.03 1azd s VAL 79 CO 0.24 -0.01 0.44 -0.62 -3.33 0.00 0.00 175.10 171.82 1azd s ASP 80 N 0.15 6.17 0.00 3.54 2.15 -1.26 -4.23 116.67 123.18 1azd s ASP 80 Ca -0.01 -1.48 0.20 0.00 0.43 0.00 0.00 52.55 51.69 1azd s ASP 80 Cb -0.03 -2.20 0.86 0.00 -0.30 0.00 0.00 42.92 41.24 1azd s ASP 80 CO 0.01 -0.74 1.64 0.18 -0.17 0.00 0.00 175.17 176.09 1azd n LEU 81 N 5.27 0.00 -0.24 -1.34 4.77 -1.26 -2.45 117.00 121.76 1azd n LEU 81 Ca -0.13 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1azd n LEU 81 Cb 0.42 -0.50 0.15 0.00 -2.33 0.00 0.00 43.42 41.17 1azd n LEU 81 CO 0.50 -0.16 1.00 0.44 -1.33 0.00 0.00 177.39 177.85 1azd h ASP 82 N 0.00 0.25 -0.94 -1.43 3.32 -1.92 -2.15 116.42 113.55 1azd h ASP 82 Ca 0.00 0.10 -0.52 0.00 0.02 0.00 0.00 57.03 56.63 1azd h ASP 82 Cb 0.34 0.08 -0.29 0.00 0.22 0.00 0.00 39.33 39.68 1azd h ASP 82 CO 0.00 0.12 0.66 0.59 -1.72 0.00 0.00 179.24 178.89 1azd n ASN 83 N -5.00 4.56 0.11 6.45 3.02 -1.02 -4.42 115.26 118.96 1azd n ASN 83 Ca 0.12 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.12 1azd n ASN 83 Cb 0.35 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1azd n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1azd n VAL 84 N -0.98 0.38 -2.09 2.41 0.31 -0.87 -5.08 118.33 112.40 1azd n VAL 84 Ca 0.57 0.12 -0.30 0.00 -0.01 0.00 0.00 64.34 64.72 1azd n VAL 84 Cb 1.39 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 1azd n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1azd s LEU 85 N -6.93 3.35 0.56 7.52 1.43 -0.87 -4.99 118.68 118.75 1azd s LEU 85 Ca 0.00 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.24 1azd s LEU 85 Cb 0.00 -4.31 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 1azd s LEU 85 CO 0.00 -0.78 1.01 -2.16 0.23 0.00 0.00 176.35 174.65 1azd s PRO 86 N -5.03 3.71 0.44 1.29 0.04 -1.26 -4.85 135.00 129.34 1azd s PRO 86 Ca 0.53 0.97 0.29 0.00 0.04 0.00 0.00 61.00 62.84 1azd s PRO 86 Cb -0.11 -2.10 1.13 0.00 0.04 0.00 0.00 34.50 33.47 1azd s PRO 86 CO 0.51 -0.47 1.86 1.05 0.04 0.00 0.00 177.00 179.98 1azd h GLU 87 N 0.53 0.00 -5.50 4.56 4.11 -1.94 -3.38 114.58 112.97 1azd h GLU 87 Ca -0.46 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 1azd h GLU 87 Cb 1.19 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.19 1azd h GLU 87 CO 0.60 0.00 -0.76 -1.58 0.07 0.00 0.00 179.01 177.35 1azd s TRP 88 N -3.49 2.82 0.22 2.06 0.52 -1.26 -1.14 118.94 118.67 1azd s TRP 88 Ca 0.03 -0.52 -0.03 0.00 0.02 0.00 0.00 56.10 55.60 1azd s TRP 88 Cb 0.09 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 1azd s TRP 88 CO 0.51 -0.12 0.22 0.14 0.02 0.00 0.00 176.95 177.72 1azd s VAL 89 N 0.14 0.00 0.13 4.03 -7.23 -0.17 -4.34 120.40 112.97 1azd s VAL 89 Ca -0.06 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 1azd s VAL 89 Cb -0.15 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1azd s VAL 89 CO 0.05 0.00 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.53 1azd s ARG 90 N -4.06 1.81 -0.03 4.82 0.52 0.23 -0.35 118.95 121.87 1azd s ARG 90 Ca 0.36 -1.22 0.04 0.00 -0.52 0.00 0.00 55.73 54.39 1azd s ARG 90 Cb 0.05 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 1azd s ARG 90 CO 0.13 0.47 -0.14 0.14 0.02 0.00 0.00 175.30 175.92 1azd s VAL 91 N -1.27 3.13 0.34 3.52 -7.23 -1.26 -1.74 120.40 115.88 1azd s VAL 91 Ca 0.19 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.42 1azd s VAL 91 Cb -0.10 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1azd s VAL 91 CO 0.11 0.54 0.81 -0.83 -0.31 0.00 0.00 175.10 175.42 1azd s GLY 92 N -0.89 0.25 0.14 2.32 0.00 -0.53 -1.45 107.32 107.16 1azd s GLY 92 Ca 0.12 -0.61 0.10 0.00 0.00 0.00 0.00 44.72 44.34 1azd s GLY 92 CO 0.02 0.03 -0.21 1.08 0.00 0.00 0.00 173.10 174.02 1azd s LEU 93 N -3.08 2.57 -0.00 0.66 1.43 -0.01 -1.32 118.68 118.93 1azd s LEU 93 Ca 0.15 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1azd s LEU 93 Cb -0.05 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1azd s LEU 93 CO 0.10 0.16 0.27 -0.55 0.23 0.00 0.00 176.35 176.56 1azd s SER 94 N -2.27 -0.13 -0.09 2.29 0.15 0.10 -1.16 113.70 112.59 1azd s SER 94 Ca 0.18 -0.01 -0.31 0.00 0.70 0.00 0.00 55.95 56.51 1azd s SER 94 Cb -0.10 0.29 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 1azd s SER 94 CO 0.09 -0.45 0.80 0.00 1.20 0.00 0.00 173.24 174.89 1azd s ALA 95 N -1.46 -1.83 0.07 5.45 0.00 -1.09 0.47 121.76 123.37 1azd s ALA 95 Ca -0.13 1.42 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 1azd s ALA 95 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1azd s ALA 95 CO 0.03 -0.35 0.22 -1.54 0.00 0.00 0.00 175.76 174.13 1azd s SER 96 N -1.16 0.04 0.40 0.00 1.04 -1.20 -2.28 113.70 110.53 1azd s SER 96 Ca -0.07 -0.49 0.07 0.00 0.48 0.00 0.00 55.95 55.94 1azd s SER 96 Cb -0.00 0.34 -0.08 0.00 0.10 0.00 0.00 66.02 66.38 1azd s SER 96 CO 0.07 -0.68 0.00 0.42 0.98 0.00 0.00 173.24 174.03 1azd s THR 97 N -3.36 2.07 0.00 2.02 -4.23 -0.36 -0.49 115.64 111.29 1azd s THR 97 Ca 0.01 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1azd s THR 97 Cb 0.02 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1azd s THR 97 CO -0.08 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 1azd n GLY 98 N -0.96 4.28 0.11 3.99 0.00 -1.26 -1.54 105.19 109.82 1azd n GLY 98 Ca -0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 1azd n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azd h LEU 99 N 0.00 0.26-10.38 0.99 6.46 -1.97 -1.06 115.31 109.61 1azd h LEU 99 Ca 0.00 -0.21 -0.43 0.00 -0.12 0.00 0.00 57.88 57.12 1azd h LEU 99 Cb 0.00 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1azd h LEU 99 CO 0.00 0.40 -0.27 -0.31 -0.62 0.00 0.00 178.44 177.64 1azd s TYR 100 N -5.37 3.00 0.22 1.25 2.02 -1.26 -4.91 117.35 112.30 1azd s TYR 100 Ca -0.14 -0.23 -0.14 0.00 -0.37 0.00 0.00 57.07 56.19 1azd s TYR 100 Cb 0.07 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1azd s TYR 100 CO 0.71 -0.24 0.48 -1.59 -1.57 0.00 0.00 175.55 173.33 1azd s LYS 101 N -4.31 1.45 -0.00 -0.62 0.00 -1.26 -4.41 119.74 110.59 1azd s LYS 101 Ca 0.50 -1.10 -0.28 0.00 0.00 0.00 0.00 55.97 55.08 1azd s LYS 101 Cb -0.10 0.48 0.08 0.00 0.00 0.00 0.00 37.83 38.30 1azd s LYS 101 CO 0.33 -0.60 0.74 -1.83 0.00 0.00 0.00 175.35 173.99 1azd s GLU 102 N -3.96 1.01 0.47 1.78 -1.05 -1.21 -4.19 118.70 111.56 1azd s GLU 102 Ca 0.17 -0.05 -0.21 0.00 -0.15 0.00 0.00 54.97 54.72 1azd s GLU 102 Cb -0.00 0.47 -0.08 0.00 -0.44 0.00 0.00 34.13 34.08 1azd s GLU 102 CO 0.04 -0.38 1.07 0.95 0.95 0.00 0.00 175.26 177.89 1azd s THR 103 N -2.20 3.58 -0.49 1.83 -4.23 0.82 -4.78 115.64 110.17 1azd s THR 103 Ca -0.04 1.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.62 1azd s THR 103 Cb -0.01 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.68 1azd s THR 103 CO -0.01 -0.13 0.82 0.59 -0.54 0.00 0.00 174.62 175.35 1azd n ASN 104 N -0.71 2.66 -4.73 3.99 5.03 -1.26 -3.56 115.26 116.68 1azd n ASN 104 Ca 0.08 -3.33 -0.40 0.00 0.87 0.00 0.00 54.58 51.80 1azd n ASN 104 Cb 0.51 -0.60 -0.04 0.00 -1.02 0.00 0.00 39.78 38.63 1azd n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1azd s THR 105 N -3.28 4.83 -0.22 3.41 2.01 -1.05 -2.67 115.64 118.67 1azd s THR 105 Ca 0.44 1.70 -0.07 0.00 0.31 0.00 0.00 61.69 64.07 1azd s THR 105 Cb 0.29 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1azd s THR 105 CO -0.10 0.29 0.05 -0.63 -0.69 0.00 0.00 174.62 173.53 1azd s ILE 106 N 0.41 4.31 -0.11 1.82 -1.09 -0.08 -0.62 121.20 125.84 1azd s ILE 106 Ca 0.42 -0.18 0.22 0.00 -2.23 0.00 0.00 60.65 58.88 1azd s ILE 106 Cb -0.20 -2.98 -0.23 0.00 -1.58 0.00 0.00 42.46 37.47 1azd s ILE 106 CO 0.23 0.39 0.67 0.18 -1.23 0.00 0.00 174.94 175.17 1azd n LEU 107 N 4.46 0.28 -3.53 2.97 4.32 0.79 -1.68 117.00 124.61 1azd n LEU 107 Ca -0.16 0.10 -0.07 0.00 -0.02 0.00 0.00 56.01 55.85 1azd n LEU 107 Cb 0.52 -0.02 -0.02 0.00 -1.62 0.00 0.00 43.42 42.28 1azd n LEU 107 CO 0.32 -0.06 0.74 -0.94 -1.22 0.00 0.00 177.39 176.23 1azd s SER 108 N -4.76 -0.32 -0.28 -1.43 1.04 -1.23 -4.15 113.70 102.57 1azd s SER 108 Ca -0.05 -0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 1azd s SER 108 Cb 0.13 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.68 1azd s SER 108 CO 0.87 -0.58 0.70 0.86 0.98 0.00 0.00 173.24 176.07 1azd s TRP 109 N -3.02 -0.97 0.01 5.02 -0.00 -0.31 -1.74 118.94 117.93 1azd s TRP 109 Ca 0.06 2.06 -0.11 0.00 -0.00 0.00 0.00 56.10 58.11 1azd s TRP 109 Cb -0.01 0.51 0.01 0.00 -0.00 0.00 0.00 33.47 33.98 1azd s TRP 109 CO -0.08 -0.48 0.22 -1.54 -0.00 0.00 0.00 176.95 175.08 1azd s SER 110 N 1.20 -0.05 -0.06 5.86 1.04 -0.00 -0.48 113.70 121.21 1azd s SER 110 Ca -0.07 -0.17 -0.09 0.00 0.48 0.00 0.00 55.95 56.10 1azd s SER 110 Cb -0.05 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1azd s SER 110 CO -0.13 -0.48 0.23 0.12 0.98 0.00 0.00 173.24 173.97 1azd s PHE 111 N -1.86 -0.19 -0.06 5.02 5.36 -0.82 -1.06 117.98 124.37 1azd s PHE 111 Ca -0.10 0.42 -0.03 0.00 -0.96 0.00 0.00 56.93 56.26 1azd s PHE 111 Cb -0.04 0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1azd s PHE 111 CO 0.00 -0.21 0.13 0.99 -1.46 0.00 0.00 175.22 174.67 1azd s THR 112 N -0.46 -0.13 -0.04 0.12 2.01 -0.65 -2.39 115.64 114.08 1azd s THR 112 Ca -0.06 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1azd s THR 112 Cb -0.04 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1azd s THR 112 CO 0.01 0.11 -0.20 -0.55 -0.69 0.00 0.00 174.62 173.31 1azd s SER 113 N 1.66 2.45 -0.02 3.53 0.15 -0.03 -2.01 113.70 119.43 1azd s SER 113 Ca -0.03 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1azd s SER 113 Cb -0.12 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1azd s SER 113 CO -0.05 0.20 -0.09 -0.54 1.20 0.00 0.00 173.24 173.95 1azd s LYS 114 N -0.12 0.93 -0.39 5.44 1.02 -0.43 -1.16 119.74 125.03 1azd s LYS 114 Ca -0.01 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.62 1azd s LYS 114 Cb -0.11 -0.88 0.09 0.00 -0.52 0.00 0.00 37.83 36.41 1azd s LYS 114 CO 0.02 0.13 0.17 -0.51 -0.92 0.00 0.00 175.35 174.24 1azd s LEU 115 N 0.10 4.93 -0.13 3.17 1.43 0.89 -2.13 118.68 126.94 1azd s LEU 115 Ca -0.02 -1.78 -0.05 0.00 -1.03 0.00 0.00 54.13 51.26 1azd s LEU 115 Cb -0.08 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1azd s LEU 115 CO 0.00 -0.48 0.05 -0.54 0.23 0.00 0.00 176.35 175.62 1azd s LYS 116 N 1.21 3.46 0.00 1.70 1.02 0.15 -0.85 119.74 126.43 1azd s LYS 116 Ca 0.04 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1azd s LYS 116 Cb -0.22 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1azd s LYS 116 CO -0.03 0.55 0.00 0.43 -0.92 0.00 0.00 175.35 175.39 1azd n SER 117 N 2.65 0.00 0.00 2.83 7.64 -1.13 -1.54 113.62 124.06 1azd n SER 117 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1azd n SER 117 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1azd n SER 117 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1azd n ASN 118 N 0.00 0.00 -3.79 6.43 0.23 -1.26 -4.50 115.26 112.38 1azd n ASN 118 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1azd n ASN 118 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1azd n ASN 118 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1azd n SER 119 N 0.00 0.28 -3.33 0.53 7.64 -1.26 0.17 113.62 117.66 1azd n SER 119 Ca 0.00 -0.92 -0.10 0.00 1.01 0.00 0.00 58.87 58.86 1azd n SER 119 Cb 0.00 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1azd n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1azd n THR 120 N -3.48 -7.77 -4.10 0.44 -1.04 -1.26 -3.89 114.28 93.17 1azd n THR 120 Ca -0.17 -0.23 -0.38 0.00 -2.04 0.00 0.00 64.05 61.22 1azd n THR 120 Cb 0.47 -5.53 -0.02 0.00 -1.82 0.00 0.00 70.33 63.43 1azd n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1azd n HIS 121 N -2.20 -1.43 -4.09 -1.42 1.44 0.13 -4.96 115.22 102.69 1azd n HIS 121 Ca -0.11 0.35 -0.28 0.00 -2.01 0.00 0.00 57.72 55.67 1azd n HIS 121 Cb 0.57 -2.97 -0.06 0.00 0.12 0.00 0.00 29.99 27.65 1azd n HIS 121 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1azd s GLU 122 N -7.17 2.80 0.15 -1.40 0.41 -0.83 -5.04 118.70 107.61 1azd s GLU 122 Ca 0.28 -0.82 -0.00 0.00 -0.41 0.00 0.00 54.97 54.02 1azd s GLU 122 Cb -0.15 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1azd s GLU 122 CO 0.96 0.52 0.04 0.99 -0.49 0.00 0.00 175.26 177.28 1azd s THR 123 N -1.56 0.27 0.01 3.63 2.01 -1.26 -2.84 115.64 115.90 1azd s THR 123 Ca 0.29 -1.93 0.07 0.00 0.31 0.00 0.00 61.69 60.43 1azd s THR 123 Cb -0.11 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1azd s THR 123 CO 0.22 -0.44 -0.22 0.20 -0.69 0.00 0.00 174.62 173.68 1azd s ASN 124 N -3.09 2.66 -0.02 3.53 -0.87 -0.03 -4.96 114.94 112.15 1azd s ASN 124 Ca 0.25 -0.48 -0.04 0.00 -1.57 0.00 0.00 52.86 51.02 1azd s ASN 124 Cb 0.07 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1azd s ASN 124 CO 0.03 0.23 0.09 0.00 -2.57 0.00 0.00 177.10 174.88 1azd s ALA 125 N -0.66 -0.22 0.04 0.60 0.00 -1.26 -0.08 121.76 120.18 1azd s ALA 125 Ca 0.09 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1azd s ALA 125 Cb -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1azd s ALA 125 CO 0.01 -0.10 -0.19 -1.17 0.00 0.00 0.00 175.76 174.30 1azd s LEU 126 N -0.46 2.16 -0.17 0.00 2.96 -0.31 -4.99 118.68 117.88 1azd s LEU 126 Ca -0.05 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1azd s LEU 126 Cb -0.03 -0.91 0.06 0.00 0.50 0.00 0.00 46.19 45.81 1azd s LEU 126 CO 0.00 0.14 0.42 -2.28 -1.32 0.00 0.00 176.35 173.31 1azd s HIS 127 N -0.80 -0.59 0.05 5.38 5.65 -1.26 -0.85 115.29 122.87 1azd s HIS 127 Ca 0.06 1.29 0.01 0.00 0.25 0.00 0.00 55.06 56.67 1azd s HIS 127 Cb -0.09 0.26 -0.03 0.00 -1.18 0.00 0.00 32.58 31.54 1azd s HIS 127 CO 0.02 -0.33 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.13 1azd s PHE 128 N 1.17 0.61 -0.20 3.88 -0.12 -1.01 -5.02 117.98 117.30 1azd s PHE 128 Ca -0.08 -0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 1azd s PHE 128 Cb -0.07 -0.38 0.10 0.00 -0.63 0.00 0.00 43.02 42.04 1azd s PHE 128 CO -0.10 -0.14 0.29 1.41 -0.05 0.00 0.00 175.22 176.63 1azd s MET 129 N -2.13 0.24 -0.30 1.99 1.75 -1.26 -1.95 119.30 117.64 1azd s MET 129 Ca -0.06 0.46 -0.15 0.00 -1.25 0.00 0.00 55.69 54.69 1azd s MET 129 Cb -0.06 -0.66 -0.03 0.00 2.84 0.00 0.00 34.83 36.92 1azd s MET 129 CO -0.02 -0.56 0.35 -0.06 -0.65 0.00 0.00 175.02 174.09 1azd s PHE 130 N 2.43 3.23 -0.30 4.11 0.08 0.37 -4.93 117.98 122.96 1azd s PHE 130 Ca 0.07 0.22 0.11 0.00 0.12 0.00 0.00 56.93 57.44 1azd s PHE 130 Cb -0.15 -2.60 0.66 0.00 -0.57 0.00 0.00 43.02 40.36 1azd s PHE 130 CO -0.13 -0.30 1.69 0.09 -0.10 0.00 0.00 175.22 176.47 1azd n ASN 131 N 5.34 4.16 0.00 1.36 3.02 -1.26 -1.16 115.26 126.72 1azd n ASN 131 Ca -0.09 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1azd n ASN 131 Cb 0.50 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 1azd n ASN 131 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1azd n GLN 132 N -0.48 0.00 -4.47 3.52 7.27 -1.26 -4.88 117.38 117.09 1azd n GLN 132 Ca 0.38 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.11 1azd n GLN 132 Cb 1.26 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.79 1azd n GLN 132 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1azd s PHE 133 N -0.79 3.02 0.64 3.69 0.40 -0.49 -5.00 117.98 119.44 1azd s PHE 133 Ca 0.00 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.07 1azd s PHE 133 Cb 0.00 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1azd s PHE 133 CO 0.00 0.13 1.03 0.45 0.70 0.00 0.00 175.22 177.52 1azd s SER 134 N -0.12 5.93 0.41 1.36 0.15 -1.26 -4.14 113.70 116.04 1azd s SER 134 Ca 0.02 1.24 0.22 0.00 0.70 0.00 0.00 55.95 58.14 1azd s SER 134 Cb -0.13 -2.23 0.71 0.00 -1.71 0.00 0.00 66.02 62.66 1azd s SER 134 CO 0.03 -1.02 1.73 0.50 1.20 0.00 0.00 173.24 175.68 1azd h LYS 135 N -0.38 0.00 -2.94 5.44 3.64 -1.89 -3.22 116.57 117.22 1azd h LYS 135 Ca -0.45 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.32 1azd h LYS 135 Cb 1.22 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.62 1azd h LYS 135 CO 0.63 0.25 -0.65 0.34 -2.27 0.00 0.00 179.45 177.74 1azd s ASP 136 N -6.22 4.14 -0.90 4.20 2.15 -1.26 -4.73 116.67 114.06 1azd s ASP 136 Ca 0.02 -3.70 -0.16 0.00 0.43 0.00 0.00 52.55 49.14 1azd s ASP 136 Cb 0.09 -1.39 0.18 0.00 -0.30 0.00 0.00 42.92 41.49 1azd s ASP 136 CO 0.66 -0.10 0.97 -1.58 -0.17 0.00 0.00 175.17 174.95 1azd s GLN 137 N -1.15 3.63 0.16 4.34 2.00 -1.25 -4.87 119.66 122.52 1azd s GLN 137 Ca 0.26 -2.14 0.18 0.00 -2.00 0.00 0.00 55.36 51.67 1azd s GLN 137 Cb -0.03 -4.69 0.80 0.00 0.80 0.00 0.00 33.01 29.89 1azd s GLN 137 CO -0.17 -1.54 1.56 1.63 -0.50 0.00 0.00 175.29 176.27 1azd n LYS 138 N 5.25 0.11 -0.37 1.67 5.02 -1.26 -2.57 118.16 126.00 1azd n LYS 138 Ca 0.20 0.40 0.10 0.00 -2.02 0.00 0.00 58.31 56.99 1azd n LYS 138 Cb 0.48 -1.73 0.29 0.00 -0.02 0.00 0.00 35.03 34.04 1azd n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1azd n ASP 139 N -1.94 3.86 -4.48 4.39 5.68 -1.26 -4.89 116.55 117.90 1azd n ASP 139 Ca 0.02 -2.11 -0.33 0.00 -0.50 0.00 0.00 54.79 51.87 1azd n ASP 139 Cb 0.16 -0.45 -0.13 0.00 -1.14 0.00 0.00 41.12 39.57 1azd n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1azd s LEU 140 N -1.21 2.76 -0.41 -2.12 1.43 -1.06 -1.17 118.68 116.90 1azd s LEU 140 Ca 0.43 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1azd s LEU 140 Cb 0.24 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1azd s LEU 140 CO 0.27 0.34 0.59 -0.63 0.23 0.00 0.00 176.35 177.14 1azd s ILE 141 N -0.68 4.91 -0.08 -0.59 1.01 0.34 -4.88 121.20 121.22 1azd s ILE 141 Ca 0.10 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 1azd s ILE 141 Cb -0.11 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1azd s ILE 141 CO 0.01 -0.46 0.39 -0.76 0.00 0.00 0.00 174.94 174.12 1azd s LEU 142 N 2.62 4.35 0.01 2.97 1.43 -1.26 -1.37 118.68 127.42 1azd s LEU 142 Ca 0.20 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 54.13 1azd s LEU 142 Cb -0.15 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1azd s LEU 142 CO 0.17 0.16 -0.15 -1.10 0.23 0.00 0.00 176.35 175.66 1azd s GLN 143 N -0.12 1.16 5.51 1.70 -0.21 0.45 -4.97 119.66 123.19 1azd s GLN 143 Ca 0.22 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1azd s GLN 143 Cb -0.15 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.71 1azd s GLN 143 CO 0.10 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1azd n GLY 144 N 2.42 1.15 0.51 3.09 0.00 -1.26 -0.36 105.19 110.75 1azd n GLY 144 Ca -0.15 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.32 1azd n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1azd n ASP 145 N 4.70 1.54 -4.70 1.61 8.00 -0.42 -4.92 116.55 122.36 1azd n ASP 145 Ca 0.00 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 1azd n ASP 145 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1azd n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azd s ALA 146 N -1.84 3.79 0.15 2.24 0.00 -1.19 -4.47 121.76 120.45 1azd s ALA 146 Ca 0.33 1.41 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1azd s ALA 146 Cb 0.18 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1azd s ALA 146 CO 0.28 -1.02 -0.08 0.95 0.00 0.00 0.00 175.76 175.89 1azd s THR 147 N 1.97 1.06 0.35 0.00 -4.23 -0.50 -4.73 115.64 109.56 1azd s THR 147 Ca 0.75 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 1azd s THR 147 Cb -0.45 -1.91 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 1azd s THR 147 CO 0.33 -0.69 0.02 0.35 -0.54 0.00 0.00 174.62 174.10 1azd n THR 148 N -0.21 0.00 0.00 3.99 -2.24 -1.26 -0.42 114.28 114.13 1azd n THR 148 Ca -0.09 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1azd n THR 148 Cb 0.61 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1azd n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azd n GLY 149 N 0.51 2.81 3.41 3.38 0.00 -1.13 -4.81 105.19 109.36 1azd n GLY 149 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1azd n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1azd n THR 150 N -2.00 2.29 -1.66 2.61 -1.04 -1.17 -2.76 114.28 110.55 1azd n THR 150 Ca 0.00 -2.27 -0.07 0.00 -2.04 0.00 0.00 64.05 59.67 1azd n THR 150 Cb 0.00 -2.26 -0.02 0.00 -1.82 0.00 0.00 70.33 66.23 1azd n THR 150 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1azd n GLU 151 N 7.84 -0.53 -2.26 -2.82 1.02 -1.26 -3.08 120.64 119.55 1azd n GLU 151 Ca 0.47 0.55 -0.02 0.00 -0.02 0.00 0.00 57.16 58.14 1azd n GLU 151 Cb 0.44 -4.39 0.00 0.00 -0.02 0.00 0.00 31.44 27.47 1azd n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1azd n GLY 152 N -1.58 0.54 3.16 0.62 0.00 -1.11 -4.98 105.19 101.85 1azd n GLY 152 Ca -0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1azd n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1azd s ASN 153 N -2.97 1.29 -0.35 1.61 0.01 -1.18 -1.40 114.94 111.95 1azd s ASN 153 Ca 0.02 -0.86 -0.11 0.00 -0.71 0.00 0.00 52.86 51.21 1azd s ASN 153 Cb -0.01 0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.71 1azd s ASN 153 CO 0.02 -0.33 0.19 -0.22 -1.51 0.00 0.00 177.10 175.25 1azd s LEU 154 N -2.58 4.52 -0.82 0.60 2.96 -0.68 -2.84 118.68 119.85 1azd s LEU 154 Ca 0.06 -0.84 -0.16 0.00 -0.22 0.00 0.00 54.13 52.97 1azd s LEU 154 Cb -0.01 -2.02 0.17 0.00 0.50 0.00 0.00 46.19 44.84 1azd s LEU 154 CO -0.01 -0.32 0.86 -0.13 -1.32 0.00 0.00 176.35 175.43 1azd s ARG 155 N 1.57 3.50 0.31 1.98 1.81 0.44 -0.91 118.95 127.65 1azd s ARG 155 Ca 0.03 -2.05 -0.00 0.00 -1.72 0.00 0.00 55.73 51.99 1azd s ARG 155 Cb -0.18 -4.56 0.49 0.00 -0.45 0.00 0.00 34.95 30.25 1azd s ARG 155 CO 0.07 -1.48 1.93 -0.07 -0.68 0.00 0.00 175.30 175.06 1azd h LEU 156 N 8.98 0.81 -9.32 2.53 3.38 -1.76 -1.33 115.31 118.60 1azd h LEU 156 Ca 0.05 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.35 1azd h LEU 156 Cb 1.04 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 1azd h LEU 156 CO 0.93 0.66 -0.71 0.42 0.09 0.00 0.00 178.44 179.82 1azd s THR 157 N -5.61 2.30 0.25 0.22 -4.23 -1.26 -2.74 115.64 104.57 1azd s THR 157 Ca -0.10 -2.28 -0.30 0.00 -1.18 0.00 0.00 61.69 57.83 1azd s THR 157 Cb 0.17 -2.49 -0.10 0.00 1.34 0.00 0.00 72.50 71.42 1azd s THR 157 CO 0.79 -0.29 1.39 -0.60 -0.54 0.00 0.00 174.62 175.37 1azd s ARG 158 N -3.58 4.30 -0.04 3.99 3.52 -1.26 -4.78 118.95 121.11 1azd s ARG 158 Ca 0.31 2.25 0.02 0.00 -0.13 0.00 0.00 55.73 58.18 1azd s ARG 158 Cb -0.00 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1azd s ARG 158 CO 0.16 -0.35 -0.10 0.54 -0.81 0.00 0.00 175.30 174.73 1azd s VAL 159 N -0.18 0.88 1.13 7.11 0.11 -1.26 -1.73 120.40 126.46 1azd s VAL 159 Ca 0.57 -0.39 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 1azd s VAL 159 Cb -0.41 -0.79 0.26 0.00 -1.53 0.00 0.00 36.38 33.91 1azd s VAL 159 CO 0.44 0.28 1.15 -0.94 -3.33 0.00 0.00 175.10 172.70 1azd s SER 160 N 0.34 1.56 0.25 3.54 1.04 0.37 -4.87 113.70 115.94 1azd s SER 160 Ca -0.06 0.62 -0.04 0.00 0.48 0.00 0.00 55.95 56.96 1azd s SER 160 Cb -0.11 -0.88 0.41 0.00 0.10 0.00 0.00 66.02 65.55 1azd s SER 160 CO 0.01 -3.73 1.82 0.77 0.98 0.00 0.00 173.24 173.10 1azd h SER 161 N -2.31 0.74 0.77 7.02 4.64 -2.02 -1.32 113.55 121.07 1azd h SER 161 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1azd h SER 161 Cb 1.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1azd h SER 161 CO 0.38 0.42 -0.23 -0.46 -0.87 0.00 0.00 176.83 176.07 1azd n ASN 162 N -4.71 0.23 0.00 4.97 6.94 -1.26 -4.90 115.26 116.53 1azd n ASN 162 Ca 0.14 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.86 1azd n ASN 162 Cb 0.28 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1azd n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1azd n GLY 163 N 1.50 1.32 3.33 4.83 0.00 -0.50 -5.12 105.19 110.55 1azd n GLY 163 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1azd n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1azd s SER 164 N -2.00 3.48 0.35 1.61 0.01 -1.24 -4.92 113.70 111.00 1azd s SER 164 Ca 0.00 -0.41 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 1azd s SER 164 Cb 0.00 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 65.05 1azd s SER 164 CO 0.00 0.24 1.28 -2.16 0.41 0.00 0.00 173.24 173.00 1azd s PRO 165 N -0.11 4.25 0.22 12.44 0.04 -1.26 -0.48 135.00 150.10 1azd s PRO 165 Ca -0.04 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1azd s PRO 165 Cb -0.14 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1azd s PRO 165 CO 0.04 -0.25 0.28 -0.65 0.04 0.00 0.00 177.00 176.46 1azd s GLN 166 N -1.93 3.24 0.82 4.56 -1.52 -0.70 -4.85 119.66 119.28 1azd s GLN 166 Ca 0.51 -0.82 -0.09 0.00 -1.95 0.00 0.00 55.36 53.02 1azd s GLN 166 Cb -0.38 -2.79 0.14 0.00 -0.22 0.00 0.00 33.01 29.76 1azd s GLN 166 CO 0.50 0.45 1.14 0.20 -0.25 0.00 0.00 175.29 177.32 1azd s GLY 167 N -3.70 1.75 -0.38 3.09 0.00 -1.26 -4.39 107.32 102.43 1azd s GLY 167 Ca 0.33 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 1azd s GLY 167 CO 0.27 -0.71 0.16 1.44 0.00 0.00 0.00 173.10 174.27 1azd n SER 168 N -3.25 -0.91 -4.64 1.64 7.64 -0.40 -4.83 113.62 108.86 1azd n SER 168 Ca 0.14 -0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 1azd n SER 168 Cb 0.60 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.24 1azd n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1azd s SER 169 N -4.33 4.78 -0.14 6.43 0.15 -1.09 -4.91 113.70 114.58 1azd s SER 169 Ca 0.12 -0.23 -0.05 0.00 0.70 0.00 0.00 55.95 56.49 1azd s SER 169 Cb -0.07 -1.07 0.07 0.00 -1.71 0.00 0.00 66.02 63.24 1azd s SER 169 CO 0.29 0.20 0.29 0.54 1.20 0.00 0.00 173.24 175.76 1azd s VAL 170 N -1.23 -0.42 0.15 4.45 0.11 -1.26 -1.22 120.40 120.98 1azd s VAL 170 Ca 0.23 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.59 1azd s VAL 170 Cb -0.11 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1azd s VAL 170 CO 0.15 0.10 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.04 1azd s GLY 171 N 2.33 1.24 0.02 6.54 0.00 -0.97 -1.30 107.32 115.19 1azd s GLY 171 Ca -0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 44.72 43.25 1azd s GLY 171 CO -0.09 -1.48 0.08 0.50 0.00 0.00 0.00 173.10 172.10 1azd s ARG 172 N -2.87 0.48 -0.04 2.90 0.52 0.52 -2.67 118.95 117.80 1azd s ARG 172 Ca 0.13 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1azd s ARG 172 Cb -0.04 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.64 1azd s ARG 172 CO 0.05 -0.11 -0.03 0.00 0.02 0.00 0.00 175.30 175.22 1azd s ALA 173 N -1.92 0.62 0.00 2.13 0.00 -0.31 -0.41 121.76 121.87 1azd s ALA 173 Ca -0.11 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1azd s ALA 173 Cb -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1azd s ALA 173 CO -0.02 -0.07 -0.22 -0.51 0.00 0.00 0.00 175.76 174.94 1azd s LEU 174 N 1.04 2.08 0.37 0.00 1.02 -0.47 -0.83 118.68 121.88 1azd s LEU 174 Ca -0.09 -0.44 -0.28 0.00 0.02 0.00 0.00 54.13 53.34 1azd s LEU 174 Cb -0.14 -1.11 -0.10 0.00 0.02 0.00 0.00 46.19 44.86 1azd s LEU 174 CO -0.01 0.25 1.34 0.12 0.02 0.00 0.00 176.35 178.07 1azd s PHE 175 N -0.60 2.87 0.21 0.29 5.36 -0.53 -0.51 117.98 125.08 1azd s PHE 175 Ca 0.09 1.36 -0.10 0.00 -0.96 0.00 0.00 56.93 57.32 1azd s PHE 175 Cb -0.09 -3.75 0.16 0.00 -0.34 0.00 0.00 43.02 39.01 1azd s PHE 175 CO -0.00 -2.17 1.88 -0.92 -1.46 0.00 0.00 175.22 172.55 1azd h TYR 176 N 3.06 0.98 -3.63 10.12 5.03 -1.48 -3.43 116.97 127.62 1azd h TYR 176 Ca -0.50 0.02 -0.51 0.00 2.58 0.00 0.00 58.73 60.33 1azd h TYR 176 Cb 1.24 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 1azd h TYR 176 CO 0.54 0.62 0.36 0.00 -1.32 0.00 0.00 178.16 178.37 1azd s ALA 177 N -6.11 3.28 0.80 1.82 0.00 -1.26 -5.02 121.76 115.26 1azd s ALA 177 Ca -0.13 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 1azd s ALA 177 Cb 0.15 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1azd s ALA 177 CO 0.78 0.05 0.71 -2.30 0.00 0.00 0.00 175.76 175.00 1azd n PRO 178 N 2.32 0.15 -4.78 0.00 -0.02 -1.26 -4.79 135.00 126.63 1azd n PRO 178 Ca 0.01 0.11 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 1azd n PRO 178 Cb 0.48 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 1azd n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1azd s VAL 179 N -2.07 1.40 -0.97 -1.45 1.01 0.52 -4.98 120.40 113.86 1azd s VAL 179 Ca 0.66 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1azd s VAL 179 Cb -0.30 -1.24 0.17 0.00 0.00 0.00 0.00 36.38 35.01 1azd s VAL 179 CO 0.58 0.41 1.10 -2.28 0.00 0.00 0.00 175.10 174.91 1azd s HIS 180 N 0.44 3.40 0.13 5.22 2.46 -1.26 -1.00 115.29 124.68 1azd s HIS 180 Ca -0.13 -1.74 0.09 0.00 0.47 0.00 0.00 55.06 53.75 1azd s HIS 180 Cb -0.15 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 1azd s HIS 180 CO 0.04 -1.33 1.40 -0.84 -2.47 0.00 0.00 174.74 171.55 1azd h ILE 181 N 5.25 1.52 -3.99 0.89 -0.00 -1.43 -3.46 117.51 116.29 1azd h ILE 181 Ca 0.18 -2.89 -0.15 0.00 -0.00 0.00 0.00 64.86 62.00 1azd h ILE 181 Cb 0.99 2.59 -0.19 0.00 -0.00 0.00 0.00 36.82 40.21 1azd h ILE 181 CO 1.05 0.81 -0.66 0.86 -0.00 0.00 0.00 178.15 180.20 1azd s TRP 182 N -3.00 0.30 -0.27 0.16 -0.00 -1.21 -4.67 118.94 110.25 1azd s TRP 182 Ca 0.01 -0.62 -0.25 0.00 -0.00 0.00 0.00 56.10 55.23 1azd s TRP 182 Cb 0.10 -0.22 0.07 0.00 -0.00 0.00 0.00 33.47 33.42 1azd s TRP 182 CO 0.79 -0.26 0.72 -2.00 -0.00 0.00 0.00 176.95 176.20 1azd s GLU 183 N -2.15 0.84 0.61 5.86 -6.30 -1.26 -4.70 118.70 111.60 1azd s GLU 183 Ca -0.09 0.99 0.39 0.00 -2.50 0.00 0.00 54.97 53.76 1azd s GLU 183 Cb -0.05 0.41 1.90 0.00 0.00 0.00 0.00 34.13 36.39 1azd s GLU 183 CO -0.03 -0.10 2.18 0.77 0.02 0.00 0.00 175.26 178.10 1azd h SER 184 N 4.98 0.00 0.78 -1.70 0.02 -2.02 -0.97 113.55 114.64 1azd h SER 184 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1azd h SER 184 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1azd h SER 184 CO 0.05 0.01 -1.03 -1.20 -1.14 0.00 0.00 176.83 173.52 1azd n SER 185 N -3.12 0.71 -4.67 3.07 7.64 -1.26 -4.90 113.62 111.09 1azd n SER 185 Ca -0.01 0.16 -0.43 0.00 1.01 0.00 0.00 58.87 59.60 1azd n SER 185 Cb 0.19 0.60 -0.03 0.00 -1.01 0.00 0.00 64.21 63.95 1azd n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1azd n ALA 186 N -2.06 1.67 0.32 -0.43 0.00 -0.37 -4.79 120.51 114.85 1azd n ALA 186 Ca 0.01 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1azd n ALA 186 Cb 0.51 -2.65 0.18 0.00 0.00 0.00 0.00 19.45 17.49 1azd n ALA 186 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1azd h VAL 187 N 5.39 0.00 -2.04 0.00 -1.51 -1.59 -3.43 116.25 113.07 1azd h VAL 187 Ca -0.49 -0.83 -0.11 0.00 -1.23 0.00 0.00 66.70 64.05 1azd h VAL 187 Cb 1.24 1.67 -0.28 0.00 -2.13 0.00 0.00 31.29 31.79 1azd h VAL 187 CO 0.94 0.00 -0.42 0.54 -1.23 0.00 0.00 177.57 177.41 1azd s VAL 188 N -3.21 -0.66 0.08 7.19 0.11 -0.88 -4.75 120.40 118.27 1azd s VAL 188 Ca 0.06 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1azd s VAL 188 Cb 0.08 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1azd s VAL 188 CO 0.69 -0.04 0.22 0.00 -3.33 0.00 0.00 175.10 172.64 1azd s ALA 189 N 2.60 3.99 -0.12 1.54 0.00 -1.26 -0.68 121.76 127.83 1azd s ALA 189 Ca 0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1azd s ALA 189 Cb -0.14 -1.81 0.12 0.00 0.00 0.00 0.00 23.12 21.29 1azd s ALA 189 CO -0.15 0.77 0.93 -1.54 0.00 0.00 0.00 175.76 175.77 1azd s SER 190 N -2.65 -0.42 0.10 0.00 1.04 -0.91 -0.48 113.70 110.38 1azd s SER 190 Ca 0.35 0.40 -0.11 0.00 0.48 0.00 0.00 55.95 57.07 1azd s SER 190 Cb -0.13 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1azd s SER 190 CO 0.28 -0.42 0.25 0.72 0.98 0.00 0.00 173.24 175.05 1azd s PHE 191 N -1.37 0.05 -0.27 5.02 -0.12 -0.33 -1.32 117.98 119.64 1azd s PHE 191 Ca -0.02 -0.44 -0.25 0.00 -0.05 0.00 0.00 56.93 56.17 1azd s PHE 191 Cb -0.00 0.03 0.08 0.00 -0.63 0.00 0.00 43.02 42.50 1azd s PHE 191 CO 0.02 -0.58 0.80 -1.83 -0.05 0.00 0.00 175.22 173.58 1azd s GLU 192 N -3.80 0.75 0.05 1.99 4.04 -0.85 -1.55 118.70 119.33 1azd s GLU 192 Ca 0.04 0.90 0.02 0.00 0.04 0.00 0.00 54.97 55.97 1azd s GLU 192 Cb 0.04 0.36 -0.03 0.00 0.02 0.00 0.00 34.13 34.52 1azd s GLU 192 CO -0.11 -0.09 -0.07 0.00 -1.84 0.00 0.00 175.26 173.14 1azd s ALA 193 N 0.39 0.65 -0.01 -0.84 0.00 -0.61 -1.64 121.76 119.70 1azd s ALA 193 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1azd s ALA 193 Cb -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1azd s ALA 193 CO -0.02 -0.07 0.04 0.99 0.00 0.00 0.00 175.76 176.70 1azd s THR 194 N -1.90 0.04 -0.05 0.00 2.01 -0.22 -0.74 115.64 114.78 1azd s THR 194 Ca -0.05 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 1azd s THR 194 Cb -0.06 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.30 1azd s THR 194 CO -0.01 -0.17 0.24 0.72 -0.69 0.00 0.00 174.62 174.71 1azd s PHE 195 N -0.51 -0.18 -0.20 4.92 -0.71 -1.07 -0.82 117.98 119.41 1azd s PHE 195 Ca -0.06 0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 56.15 1azd s PHE 195 Cb -0.04 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1azd s PHE 195 CO -0.00 -0.23 0.09 0.95 -1.34 0.00 0.00 175.22 174.69 1azd s THR 196 N -0.56 4.91 0.12 -4.49 -4.23 -0.71 -2.11 115.64 108.58 1azd s THR 196 Ca -0.07 0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1azd s THR 196 Cb -0.04 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1azd s THR 196 CO 0.02 0.43 -0.26 0.72 -0.54 0.00 0.00 174.62 174.98 1azd s PHE 197 N 0.59 2.26 -0.24 3.99 -0.71 -0.73 -0.15 117.98 122.99 1azd s PHE 197 Ca 0.05 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 1azd s PHE 197 Cb -0.13 -1.23 0.07 0.00 -1.21 0.00 0.00 43.02 40.52 1azd s PHE 197 CO 0.01 0.31 -0.02 -1.17 -1.34 0.00 0.00 175.22 173.01 1azd s LEU 198 N -2.00 2.50 -0.20 -1.99 0.20 0.21 -0.98 118.68 116.43 1azd s LEU 198 Ca 0.13 -1.24 -0.10 0.00 0.69 0.00 0.00 54.13 53.61 1azd s LEU 198 Cb -0.10 -1.10 -0.05 0.00 -0.43 0.00 0.00 46.19 44.51 1azd s LEU 198 CO 0.06 -0.27 0.15 -0.63 -0.29 0.00 0.00 176.35 175.36 1azd s ILE 199 N 1.44 5.40 -0.02 6.68 1.01 -1.26 -2.52 121.20 131.93 1azd s ILE 199 Ca -0.03 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1azd s ILE 199 Cb -0.18 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1azd s ILE 199 CO -0.08 0.44 -0.05 -0.75 0.00 0.00 0.00 174.94 174.49 1azd s LYS 200 N 0.36 0.64 -0.02 2.79 2.20 -1.23 -0.75 119.74 123.72 1azd s LYS 200 Ca 0.09 -0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1azd s LYS 200 Cb -0.11 -0.65 0.03 0.00 -1.51 0.00 0.00 37.83 35.59 1azd s LYS 200 CO -0.01 0.03 0.02 0.45 -0.36 0.00 0.00 175.35 175.48 1azd s SER 201 N 0.37 0.27 0.01 1.43 0.15 -1.26 -0.13 113.70 114.54 1azd s SER 201 Ca -0.05 0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1azd s SER 201 Cb -0.08 -0.12 -0.34 0.00 -1.71 0.00 0.00 66.02 63.76 1azd s SER 201 CO -0.00 -0.13 0.90 1.55 1.20 0.00 0.00 173.24 176.75 1azd h PRO 202 N 7.39 0.50 -1.46 5.44 0.13 -2.00 -3.35 132.00 138.66 1azd h PRO 202 Ca -0.42 -0.85 0.00 0.00 -0.87 0.00 0.00 66.00 63.86 1azd h PRO 202 Cb 1.12 0.32 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1azd h PRO 202 CO 0.45 1.41 0.00 -0.40 -0.23 0.00 0.00 178.00 179.23 1azd n ASP 203 N -3.68 4.01 0.00 1.44 5.68 -1.26 -4.84 116.55 117.90 1azd n ASP 203 Ca -0.19 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 1azd n ASP 203 Cb 1.10 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1azd n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1azd n SER 204 N 0.95 0.00 -2.72 -1.12 7.64 -1.26 -4.67 113.62 112.45 1azd n SER 204 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1azd n SER 204 Cb 0.49 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.79 1azd n SER 204 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1azd n HIS 205 N 0.00 -2.38 -0.71 1.43 -0.00 -1.26 -5.17 115.22 107.13 1azd n HIS 205 Ca 0.00 -1.83 -0.31 0.00 -0.00 0.00 0.00 57.72 55.58 1azd n HIS 205 Cb 0.00 1.54 0.17 0.00 -0.00 0.00 0.00 29.99 31.70 1azd n HIS 205 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1azd s PRO 206 N 0.24 1.01 -0.09 1.57 0.04 -1.26 -4.48 135.00 132.01 1azd s PRO 206 Ca 0.22 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1azd s PRO 206 Cb 0.29 -1.73 0.11 0.00 0.04 0.00 0.00 34.50 33.21 1azd s PRO 206 CO -0.09 -2.63 0.90 0.00 0.04 0.00 0.00 177.00 175.22 1azd s ALA 207 N -2.66 -1.87 -0.45 8.56 0.00 -1.26 -4.37 121.76 119.72 1azd s ALA 207 Ca 0.67 1.37 0.11 0.00 0.00 0.00 0.00 51.96 54.11 1azd s ALA 207 Cb -0.23 -0.27 -0.13 0.00 0.00 0.00 0.00 23.12 22.49 1azd s ALA 207 CO 0.58 -0.42 0.44 -0.25 0.00 0.00 0.00 175.76 176.11 1azd n ASP 208 N 0.51 0.79 0.00 0.00 8.00 0.36 -3.29 116.55 122.92 1azd n ASP 208 Ca -0.12 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1azd n ASP 208 Cb 0.59 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 1azd n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1azd n GLY 209 N 1.35 -0.69 3.07 0.44 0.00 -1.25 -2.35 105.19 105.77 1azd n GLY 209 Ca 0.02 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 1azd n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1azd s ILE 210 N 0.00 0.16 -0.03 -0.61 1.01 -0.19 -3.23 121.20 118.32 1azd s ILE 210 Ca 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 60.65 59.26 1azd s ILE 210 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1azd s ILE 210 CO 0.00 -0.74 0.12 0.00 0.00 0.00 0.00 174.94 174.32 1azd s ALA 211 N -2.90 -0.29 -0.22 9.38 0.00 0.18 0.08 121.76 127.98 1azd s ALA 211 Ca -0.03 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 1azd s ALA 211 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 1azd s ALA 211 CO -0.06 -0.13 0.13 0.12 0.00 0.00 0.00 175.76 175.82 1azd s PHE 212 N -0.59 3.29 0.02 0.00 5.36 -0.66 -0.72 117.98 124.68 1azd s PHE 212 Ca -0.07 0.14 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 1azd s PHE 212 Cb -0.04 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 1azd s PHE 212 CO 0.01 0.07 -0.10 -0.59 -1.46 0.00 0.00 175.22 173.14 1azd s PHE 213 N 0.89 0.91 -0.16 10.12 -0.71 -0.43 -0.72 117.98 127.88 1azd s PHE 213 Ca 0.06 -0.28 -0.05 0.00 -1.04 0.00 0.00 56.93 55.62 1azd s PHE 213 Cb -0.13 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 1azd s PHE 213 CO 0.03 -0.01 0.00 0.42 -1.34 0.00 0.00 175.22 174.32 1azd s ILE 214 N -0.64 4.25 0.28 -4.49 1.01 0.77 -1.45 121.20 120.93 1azd s ILE 214 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1azd s ILE 214 Cb -0.06 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1azd s ILE 214 CO 0.00 0.49 0.11 -0.94 0.00 0.00 0.00 174.94 174.60 1azd s SER 215 N 0.32 1.40 0.66 3.58 1.04 -0.71 -1.50 113.70 118.48 1azd s SER 215 Ca -0.01 -1.43 -0.18 0.00 0.48 0.00 0.00 55.95 54.81 1azd s SER 215 Cb -0.13 0.21 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 1azd s SER 215 CO 0.02 -0.77 1.28 0.54 0.98 0.00 0.00 173.24 175.29 1azd s ASN 216 N -3.35 4.54 0.56 7.02 4.22 -1.19 -0.60 114.94 126.14 1azd s ASN 216 Ca 0.37 2.57 0.24 0.00 -2.14 0.00 0.00 52.86 53.90 1azd s ASN 216 Cb 0.07 -2.61 1.55 0.00 1.28 0.00 0.00 41.25 41.54 1azd s ASN 216 CO 0.15 -2.04 2.16 0.16 -2.04 0.00 0.00 177.10 175.48 1azd h ILE 217 N 0.41 0.70 -0.90 0.54 3.07 -1.84 -2.73 117.51 116.76 1azd h ILE 217 Ca -0.50 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 65.31 1azd h ILE 217 Cb 1.33 0.94 -0.31 0.00 -0.27 0.00 0.00 36.82 38.51 1azd h ILE 217 CO 0.52 0.00 0.45 -0.90 -1.05 0.00 0.00 178.15 177.18 1azd n ASP 218 N -4.14 6.29 -4.81 2.16 5.75 -1.26 -4.73 116.55 115.81 1azd n ASP 218 Ca -0.01 -3.76 -0.33 0.00 -0.01 0.00 0.00 54.79 50.68 1azd n ASP 218 Cb 0.19 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.43 1azd n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1azd s SER 219 N -2.16 6.43 0.14 -1.12 0.15 -1.03 -5.07 113.70 111.05 1azd s SER 219 Ca 0.60 1.80 -0.17 0.00 0.70 0.00 0.00 55.95 58.87 1azd s SER 219 Cb 0.48 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1azd s SER 219 CO 0.01 -0.72 0.46 -0.94 1.20 0.00 0.00 173.24 173.26 1azd s SER 220 N -2.34 -0.29 -0.06 5.45 1.04 -1.26 -5.12 113.70 111.13 1azd s SER 220 Ca 0.64 -0.30 -0.33 0.00 0.48 0.00 0.00 55.95 56.44 1azd s SER 220 Cb -0.13 0.51 -0.11 0.00 0.10 0.00 0.00 66.02 66.39 1azd s SER 220 CO 0.23 -0.91 1.90 -0.38 0.98 0.00 0.00 173.24 175.06 1azd n ILE 221 N -0.27 0.62 -2.07 -1.02 5.41 -1.26 -4.93 119.36 115.83 1azd n ILE 221 Ca -0.15 -0.11 -0.37 0.00 1.00 0.00 0.00 62.75 63.12 1azd n ILE 221 Cb 0.64 -1.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.61 1azd n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1azd s PRO 222 N 4.12 3.40 0.07 0.38 0.02 -1.26 -4.91 135.00 136.81 1azd s PRO 222 Ca 0.92 1.91 -0.31 0.00 0.02 0.00 0.00 61.00 63.54 1azd s PRO 222 Cb -0.63 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 31.56 1azd s PRO 222 CO 0.49 -0.88 1.68 -1.12 -0.33 0.00 0.00 177.00 176.84 1azd s SER 223 N -1.31 6.58 -0.67 2.53 0.01 -1.26 -3.11 113.70 116.46 1azd s SER 223 Ca 0.69 2.51 -0.01 0.00 1.31 0.00 0.00 55.95 60.45 1azd s SER 223 Cb -0.32 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.34 1azd s SER 223 CO 0.38 -0.91 0.57 0.61 0.41 0.00 0.00 173.24 174.30 1azd n GLY 224 N 4.04 -0.10 0.74 3.44 0.00 -1.26 -4.88 105.19 107.17 1azd n GLY 224 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1azd n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1azd n SER 225 N -2.31 2.02 -4.51 1.61 3.41 -1.18 -4.91 113.62 107.75 1azd n SER 225 Ca -0.13 -3.80 -0.29 0.00 -0.26 0.00 0.00 58.87 54.39 1azd n SER 225 Cb 0.59 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1azd n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1azd s THR 226 N -3.21 1.94 0.00 6.66 -4.23 -1.26 0.29 115.64 115.82 1azd s THR 226 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1azd s THR 226 Cb 0.37 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1azd s THR 226 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1azd n GLY 227 N -2.49 3.55 0.00 3.99 0.00 -0.59 -3.46 105.19 106.18 1azd n GLY 227 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1azd n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1azd n ARG 228 N 14.00 0.06 -0.25 1.61 -4.01 -1.26 -1.42 116.66 125.39 1azd n ARG 228 Ca 0.00 0.28 0.11 0.00 -1.04 0.00 0.00 57.85 57.19 1azd n ARG 228 Cb 0.00 -1.50 0.24 0.00 -3.04 0.00 0.00 32.46 28.16 1azd n ARG 228 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1azd n LEU 229 N -1.41 3.53 -0.97 2.89 4.77 -1.22 -4.97 117.00 119.61 1azd n LEU 229 Ca 0.03 -1.72 -0.12 0.00 -0.03 0.00 0.00 56.01 54.17 1azd n LEU 229 Cb 0.10 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1azd n LEU 229 CO 0.08 0.82 -0.11 0.18 -1.33 0.00 0.00 177.39 177.03 1azd n LEU 230 N 1.41 -0.53 -0.94 2.23 4.32 -0.50 -0.94 117.00 122.04 1azd n LEU 230 Ca 0.20 0.30 -0.12 0.00 -0.02 0.00 0.00 56.01 56.37 1azd n LEU 230 Cb 0.58 -2.55 -0.05 0.00 -1.62 0.00 0.00 43.42 39.79 1azd n LEU 230 CO 0.15 -0.97 -0.12 0.61 -1.22 0.00 0.00 177.39 175.84 1azd n GLY 231 N 0.12 1.13 0.82 -0.72 0.00 0.14 -4.13 105.19 102.56 1azd n GLY 231 Ca -0.12 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 1azd n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1azd n LEU 232 N -1.36 0.43 -4.46 0.99 4.32 -0.12 -4.54 117.00 112.26 1azd n LEU 232 Ca -0.12 0.07 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 1azd n LEU 232 Cb 0.41 -0.18 -0.13 0.00 -1.62 0.00 0.00 43.42 41.90 1azd n LEU 232 CO 0.18 0.11 -0.49 -0.36 -1.22 0.00 0.00 177.39 175.61 1azd s PHE 233 N -2.11 2.58 -0.55 -1.77 0.40 -1.17 -4.75 117.98 110.61 1azd s PHE 233 Ca -0.08 -0.24 0.24 0.00 -0.60 0.00 0.00 56.93 56.25 1azd s PHE 233 Cb 0.03 -1.49 0.56 0.00 0.51 0.00 0.00 43.02 42.63 1azd s PHE 233 CO 0.10 0.24 1.69 -1.00 0.70 0.00 0.00 175.22 176.95 1azd h PRO 234 N 4.67 0.00 0.00 0.24 0.13 -1.91 -3.43 132.00 131.70 1azd h PRO 234 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 1azd h PRO 234 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1azd h PRO 234 CO 0.48 0.00 -0.13 -0.40 -0.23 0.00 0.00 178.00 177.73 1azd n ASP 235 N -2.74 -0.80 -1.76 1.44 5.68 -1.26 -4.92 116.55 112.18 1azd n ASP 235 Ca 0.05 -2.24 -0.19 0.00 -0.50 0.00 0.00 54.79 51.91 1azd n ASP 235 Cb 0.48 1.54 0.09 0.00 -1.14 0.00 0.00 41.12 42.09 1azd n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1azd n ALA 236 N -1.53 4.98 1.18 2.12 0.00 -1.26 -4.78 120.51 121.22 1azd n ALA 236 Ca -0.08 -3.56 0.13 0.00 0.00 0.00 0.00 53.44 49.92 1azd n ALA 236 Cb 0.38 -0.66 0.26 0.00 0.00 0.00 0.00 19.45 19.42 1azd n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59