#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiw n GLY 2 N 0.00 -0.45 2.62 3.03 0.00 -1.26 -4.87 105.19 104.26 1aiw n GLY 2 Ca 0.00 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1aiw n GLY 2 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aiw n ASP 3 N -2.48 5.51 -2.17 1.61 5.75 -1.26 -4.53 116.55 118.98 1aiw n ASP 3 Ca -0.06 -2.57 -0.06 0.00 -0.01 0.00 0.00 54.79 52.10 1aiw n ASP 3 Cb 0.59 -1.36 -0.01 0.00 -1.03 0.00 0.00 41.12 39.31 1aiw n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aiw h ALA 5 N 1.10 1.79 -0.82 0.00 0.00 -1.97 -0.68 119.26 118.68 1aiw h ALA 5 Ca -0.14 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1aiw h ALA 5 Cb 0.94 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1aiw h ALA 5 CO 0.17 -0.70 0.53 -0.91 0.00 0.00 0.00 179.25 178.35 1aiw h ASN 6 N 0.00 0.77 -1.12 0.00 2.35 -1.96 -3.43 115.58 112.20 1aiw h ASN 6 Ca 0.07 0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.36 1aiw h ASN 6 Cb 1.31 -0.16 0.03 0.00 0.05 0.00 0.00 38.32 39.55 1aiw h ASN 6 CO -0.00 0.49 -0.12 0.00 -1.65 0.00 0.00 177.43 176.16 1aiw s ALA 7 N -5.78 4.56 -0.66 -0.83 0.00 -0.26 -4.99 121.76 113.80 1aiw s ALA 7 Ca -0.11 -1.97 -0.26 0.00 0.00 0.00 0.00 51.96 49.62 1aiw s ALA 7 Cb 0.20 -1.57 -0.12 0.00 0.00 0.00 0.00 23.12 21.63 1aiw s ALA 7 CO 0.79 -0.77 2.47 0.09 0.00 0.00 0.00 175.76 178.33 1aiw n ASN 8 N -2.21 1.65 -4.70 0.00 4.13 -1.26 -4.86 115.26 108.01 1aiw n ASN 8 Ca 0.14 -0.48 -0.36 0.00 1.68 0.00 0.00 54.58 55.55 1aiw n ASN 8 Cb 0.61 -1.41 -0.08 0.00 -1.54 0.00 0.00 39.78 37.36 1aiw n ASN 8 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1aiw s VAL 9 N 11.37 5.32 0.12 2.41 0.11 -1.26 -0.24 120.40 138.22 1aiw s VAL 9 Ca 1.07 0.43 -0.34 0.00 -2.93 0.00 0.00 61.98 60.21 1aiw s VAL 9 Cb -0.43 -3.59 -0.18 0.00 -1.53 0.00 0.00 36.38 30.65 1aiw s VAL 9 CO 0.30 0.37 0.95 0.00 -3.33 0.00 0.00 175.10 173.39 1aiw n TYR 10 N 3.87 0.56 -0.44 1.54 9.36 -0.07 -0.18 117.16 131.81 1aiw n TYR 10 Ca -0.13 0.90 -0.15 0.00 3.32 0.00 0.00 57.90 61.84 1aiw n TYR 10 Cb 0.52 -2.12 0.09 0.00 -0.63 0.00 0.00 39.34 37.20 1aiw n TYR 10 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1aiw n PRO 11 N 1.45 1.78 -1.10 2.98 -0.04 -1.26 -5.00 135.00 133.81 1aiw n PRO 11 Ca 0.18 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.52 1aiw n PRO 11 Cb 0.19 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 1aiw n PRO 11 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aiw n ASN 12 N -0.36 6.16 -4.29 3.54 3.02 0.75 -4.93 115.26 119.16 1aiw n ASN 12 Ca 0.35 -2.50 -0.34 0.00 -0.03 0.00 0.00 54.58 52.06 1aiw n ASN 12 Cb 1.08 -1.34 0.12 0.00 -0.61 0.00 0.00 39.78 39.03 1aiw n ASN 12 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1aiw n TRP 13 N 4.43 -1.89 0.12 3.10 5.03 -1.26 -4.46 117.44 122.52 1aiw n TRP 13 Ca 0.60 0.20 -0.20 0.00 3.03 0.00 0.00 57.50 61.12 1aiw n TRP 13 Cb 0.22 -1.64 -0.15 0.00 -1.03 0.00 0.00 31.31 28.72 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1aiw h VAL 14 N -1.63 1.39 -2.22 -0.99 2.07 -1.87 -3.48 116.25 109.52 1aiw h VAL 14 Ca -0.47 -2.86 -0.02 0.00 0.82 0.00 0.00 66.70 64.18 1aiw h VAL 14 Cb 1.32 2.97 -0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1aiw h VAL 14 CO 0.33 0.85 0.02 -0.24 0.02 0.00 0.00 177.57 178.55 1aiw n SER 15 N -3.63 -0.33 -0.09 0.57 2.88 -0.79 -4.96 113.62 107.27 1aiw n SER 15 Ca -0.13 -1.28 -0.16 0.00 -1.33 0.00 0.00 58.87 55.97 1aiw n SER 15 Cb 1.06 0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 65.02 1aiw n SER 15 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1aiw n LYS 16 N -0.09 0.40 0.00 -1.46 4.81 -1.26 0.12 118.16 120.67 1aiw n LYS 16 Ca -0.01 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1aiw n LYS 16 Cb 0.10 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1aiw n LYS 16 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1aiw n ASP 17 N -3.45 0.00 -3.46 3.14 -0.08 -1.26 -4.60 116.55 106.84 1aiw n ASP 17 Ca -0.33 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.67 1aiw n ASP 17 Cb 0.78 0.00 0.27 0.00 2.34 0.00 0.00 41.12 44.51 1aiw n ASP 17 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 1aiw n TRP 18 N 0.00 -3.23 -2.04 -0.67 7.02 -1.26 -5.01 117.44 112.24 1aiw n TRP 18 Ca 0.00 -0.59 -0.14 0.00 -1.02 0.00 0.00 57.50 55.75 1aiw n TRP 18 Cb 0.00 -1.39 0.06 0.00 -2.42 0.00 0.00 31.31 27.56 1aiw n TRP 18 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aiw n ALA 19 N -5.51 4.34 0.00 6.99 0.00 -1.26 -4.73 120.51 120.34 1aiw n ALA 19 Ca 0.11 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 50.04 1aiw n ALA 19 Cb 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1aiw n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aiw n GLY 20 N -0.74 0.00 3.28 0.00 0.00 -1.26 -5.18 105.19 101.29 1aiw n GLY 20 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 1aiw n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aiw s GLY 21 N 0.00 1.20 -0.01 -0.02 0.00 -1.26 -5.10 107.32 102.12 1aiw s GLY 21 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 44.72 43.12 1aiw s GLY 21 CO 0.00 -1.33 1.86 1.20 0.00 0.00 0.00 173.10 174.82 1aiw s GLN 22 N -2.33 4.10 0.76 2.90 -0.21 -1.26 -4.48 119.66 119.14 1aiw s GLN 22 Ca 0.09 2.41 -0.15 0.00 0.02 0.00 0.00 55.36 57.72 1aiw s GLN 22 Cb -0.08 -4.11 -0.00 0.00 1.00 0.00 0.00 33.01 29.83 1aiw s GLN 22 CO 0.04 -0.98 0.71 -2.30 -2.12 0.00 0.00 175.29 170.65 1aiw n PRO 23 N 7.46 0.26 0.00 2.91 -0.02 -1.26 -4.46 135.00 139.88 1aiw n PRO 23 Ca 0.19 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1aiw n PRO 23 Cb 0.42 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1aiw n PRO 23 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1aiw n THR 24 N -2.70 0.00 -3.61 3.45 -2.24 0.23 -4.78 114.28 104.63 1aiw n THR 24 Ca 0.11 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 1aiw n THR 24 Cb 0.50 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 1aiw n THR 24 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1aiw s HIS 25 N 0.00 -0.05 -0.15 4.78 -3.43 0.12 -4.51 115.29 112.05 1aiw s HIS 25 Ca 0.00 -0.04 0.01 0.00 -0.80 0.00 0.00 55.06 54.23 1aiw s HIS 25 Cb 0.00 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1aiw s HIS 25 CO 0.00 -0.25 -0.18 -0.80 -2.00 0.00 0.00 174.74 171.51 1aiw s ASN 26 N -2.88 3.44 0.63 7.38 -0.87 0.13 -1.88 114.94 120.89 1aiw s ASN 26 Ca 0.14 -0.52 -0.05 0.00 -1.57 0.00 0.00 52.86 50.86 1aiw s ASN 26 Cb 0.04 -1.51 0.04 0.00 -0.02 0.00 0.00 41.25 39.80 1aiw s ASN 26 CO -0.04 0.09 0.92 -0.70 -2.57 0.00 0.00 177.10 174.80 1aiw s GLU 27 N 0.78 2.53 -0.05 -0.60 2.12 -1.26 -1.16 118.70 121.06 1aiw s GLU 27 Ca -0.07 -0.26 -0.39 0.00 0.36 0.00 0.00 54.97 54.61 1aiw s GLU 27 Cb -0.16 -2.27 -0.17 0.00 0.26 0.00 0.00 34.13 31.79 1aiw s GLU 27 CO -0.00 -0.93 1.40 0.00 -0.54 0.00 0.00 175.26 175.19 1aiw n ALA 28 N -2.68 -1.32 0.00 6.30 0.00 0.15 -0.29 120.51 122.68 1aiw n ALA 28 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1aiw n ALA 28 Cb 0.59 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1aiw n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aiw n GLY 29 N 2.81 2.94 3.72 0.00 0.00 0.20 -4.95 105.19 109.91 1aiw n GLY 29 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1aiw n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aiw s GLN 30 N -0.05 4.56 0.38 1.61 -1.52 0.61 -4.80 119.66 120.45 1aiw s GLN 30 Ca 0.00 1.59 0.01 0.00 -1.95 0.00 0.00 55.36 55.01 1aiw s GLN 30 Cb 0.00 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 1aiw s GLN 30 CO 0.00 -0.03 0.58 -1.12 -0.25 0.00 0.00 175.29 174.47 1aiw s SER 31 N 0.60 6.07 0.02 5.90 0.01 -1.26 -2.06 113.70 122.97 1aiw s SER 31 Ca 0.52 0.30 -0.28 0.00 1.31 0.00 0.00 55.95 57.81 1aiw s SER 31 Cb -0.26 -1.74 0.08 0.00 0.21 0.00 0.00 66.02 64.32 1aiw s SER 31 CO 0.30 -0.47 0.71 -0.51 0.41 0.00 0.00 173.24 173.68 1aiw s ILE 32 N -2.39 0.00 0.26 1.44 2.07 -0.03 -4.82 121.20 117.74 1aiw s ILE 32 Ca 0.44 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.67 1aiw s ILE 32 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 1aiw s ILE 32 CO 0.36 0.00 0.47 -0.69 -1.91 0.00 0.00 174.94 173.17 1aiw s VAL 33 N -2.28 5.14 -0.27 4.00 1.01 0.66 -0.43 120.40 128.23 1aiw s VAL 33 Ca -0.04 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1aiw s VAL 33 Cb -0.01 -3.78 0.15 0.00 0.00 0.00 0.00 36.38 32.75 1aiw s VAL 33 CO -0.01 -0.32 1.18 -0.47 0.00 0.00 0.00 175.10 175.48 1aiw s TYR 34 N -2.05 -0.30 -0.17 5.22 5.04 -0.53 -0.89 117.35 123.67 1aiw s TYR 34 Ca 0.40 0.70 -0.03 0.00 -2.44 0.00 0.00 57.07 55.70 1aiw s TYR 34 Cb -0.10 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1aiw s TYR 34 CO 0.31 -0.17 0.14 1.63 -1.34 0.00 0.00 175.55 176.13 1aiw n LYS 35 N 1.72 -0.39 -4.08 4.97 5.02 -1.26 -0.53 118.16 123.61 1aiw n LYS 35 Ca -0.11 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.06 1aiw n LYS 35 Cb 0.57 -0.50 -0.06 0.00 -0.02 0.00 0.00 35.03 35.02 1aiw n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aiw n GLY 36 N -0.55 -0.41 3.15 0.72 0.00 -1.26 -4.92 105.19 101.92 1aiw n GLY 36 Ca -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1aiw n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aiw s ASN 37 N -2.95 0.23 -0.21 1.61 0.01 0.31 -4.44 114.94 109.50 1aiw s ASN 37 Ca 0.66 -0.69 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 1aiw s ASN 37 Cb -0.39 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.49 1aiw s ASN 37 CO 0.81 -0.62 0.19 -0.22 -1.51 0.00 0.00 177.10 175.75 1aiw s LEU 38 N -2.62 4.18 0.30 0.60 2.96 0.40 -1.45 118.68 123.04 1aiw s LEU 38 Ca 0.02 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 1aiw s LEU 38 Cb 0.04 -2.18 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 1aiw s LEU 38 CO -0.09 0.10 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.72 1aiw s TYR 39 N 0.71 1.98 -0.04 5.38 1.51 0.43 -0.59 117.35 126.73 1aiw s TYR 39 Ca 0.10 -0.79 -0.15 0.00 -1.01 0.00 0.00 57.07 55.22 1aiw s TYR 39 Cb -0.13 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1aiw s TYR 39 CO 0.02 0.20 0.34 0.99 -1.11 0.00 0.00 175.55 175.99 1aiw s THR 40 N -3.10 0.04 0.30 -0.71 2.01 0.34 -0.85 115.64 113.68 1aiw s THR 40 Ca 0.32 -0.37 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 1aiw s THR 40 Cb 0.06 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 1aiw s THR 40 CO 0.13 -0.20 0.74 0.00 -0.69 0.00 0.00 174.62 174.60 1aiw s ALA 41 N -1.06 3.34 -0.07 7.40 0.00 -0.88 -0.72 121.76 129.78 1aiw s ALA 41 Ca -0.11 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.01 1aiw s ALA 41 Cb -0.04 -2.80 -0.24 0.00 0.00 0.00 0.00 23.12 20.04 1aiw s ALA 41 CO 0.04 0.32 0.57 0.09 0.00 0.00 0.00 175.76 176.78 1aiw n ASN 42 N -0.04 1.20 0.00 0.00 3.02 0.06 -0.63 115.26 118.86 1aiw n ASN 42 Ca 0.02 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1aiw n ASN 42 Cb 0.53 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1aiw n ASN 42 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1aiw n TRP 43 N -3.16 -0.19 -3.62 3.10 2.14 -1.26 -4.57 117.44 109.88 1aiw n TRP 43 Ca -0.21 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.35 1aiw n TRP 43 Cb 1.05 0.29 -0.04 0.00 -0.81 0.00 0.00 31.31 31.81 1aiw n TRP 43 CO 0.00 0.00 0.00 -0.47 2.07 0.00 0.00 177.69 179.29 1aiw s TYR 44 N -0.58 -1.35 0.00 -2.67 6.14 -1.26 0.33 117.35 117.97 1aiw s TYR 44 Ca 0.00 2.29 -0.27 0.00 0.64 0.00 0.00 57.07 59.73 1aiw s TYR 44 Cb 0.00 0.79 0.06 0.00 0.42 0.00 0.00 41.96 43.23 1aiw s TYR 44 CO 0.00 -0.67 0.61 -0.08 0.64 0.00 0.00 175.55 176.05 1aiw s THR 45 N 2.89 0.01 0.00 4.34 -1.32 -0.31 -4.99 115.64 116.25 1aiw s THR 45 Ca -0.05 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1aiw s THR 45 Cb -0.12 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1aiw s THR 45 CO -0.19 -0.05 0.69 0.00 -2.21 0.00 0.00 174.62 172.87 1aiw n ALA 46 N 0.65 1.48 -1.77 11.08 0.00 -1.26 -0.69 120.51 130.00 1aiw n ALA 46 Ca -0.19 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.24 1aiw n ALA 46 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 1aiw n ALA 46 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1aiw s SER 47 N -0.45 6.23 0.34 0.00 0.01 -1.26 -4.98 113.70 113.60 1aiw s SER 47 Ca 0.00 1.66 -0.28 0.00 1.31 0.00 0.00 55.95 58.63 1aiw s SER 47 Cb 0.00 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.59 1aiw s SER 47 CO 0.00 -0.86 1.39 0.55 0.41 0.00 0.00 173.24 174.74 1aiw n VAL 48 N -1.87 1.80 -1.61 3.43 3.14 -1.26 -4.79 118.33 117.17 1aiw n VAL 48 Ca 0.07 -0.45 -0.56 0.00 -2.96 0.00 0.00 64.34 60.44 1aiw n VAL 48 Cb 0.54 -1.73 -0.07 0.00 -1.06 0.00 0.00 33.84 31.51 1aiw n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1aiw n PRO 49 N 0.81 1.07 -1.73 1.45 -0.02 -1.26 -0.13 135.00 135.19 1aiw n PRO 49 Ca 0.05 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1aiw n PRO 49 Cb 0.37 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1aiw n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aiw n GLY 50 N 5.04 0.42 0.38 -1.23 0.00 -1.26 -4.96 105.19 103.57 1aiw n GLY 50 Ca 0.32 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1aiw n GLY 50 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aiw h SER 51 N 0.00 -0.78 0.00 1.61 4.64 -0.85 -3.44 113.55 114.73 1aiw h SER 51 Ca -0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1aiw h SER 51 Cb 0.82 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1aiw h SER 51 CO 0.18 -0.56 0.00 0.47 -0.87 0.00 0.00 176.83 176.05 1aiw n ASP 52 N -5.49 0.00 -1.37 4.97 9.92 -1.26 -5.06 116.55 118.26 1aiw n ASP 52 Ca -0.14 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.12 1aiw n ASP 52 Cb 0.37 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1aiw n SER 53 N -1.84 -0.31 0.00 -2.24 2.88 -1.26 -5.00 113.62 105.85 1aiw n SER 53 Ca 0.00 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1aiw n SER 53 Cb 0.00 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1aiw n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1aiw n SER 54 N -0.78 -3.04 -4.34 -3.46 3.41 -1.26 -4.71 113.62 99.45 1aiw n SER 54 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.42 1aiw n SER 54 Cb 0.10 -2.30 -0.10 0.00 -0.26 0.00 0.00 64.21 61.65 1aiw n SER 54 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1aiw s TRP 55 N -1.52 1.69 -0.12 7.33 0.52 -1.26 -0.76 118.94 124.82 1aiw s TRP 55 Ca 0.00 -0.57 -0.08 0.00 0.02 0.00 0.00 56.10 55.47 1aiw s TRP 55 Cb 0.00 -0.79 0.04 0.00 -1.15 0.00 0.00 33.47 31.57 1aiw s TRP 55 CO 0.00 0.34 0.30 -0.08 0.02 0.00 0.00 176.95 177.53 1aiw s THR 56 N -2.91 -0.03 0.03 2.01 -1.32 0.11 -4.87 115.64 108.66 1aiw s THR 56 Ca 0.22 0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.49 1aiw s THR 56 Cb -0.01 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 1aiw s THR 56 CO 0.06 0.04 1.03 -1.58 -2.21 0.00 0.00 174.62 171.96 1aiw s GLN 57 N 0.98 4.55 -0.01 7.08 0.74 -1.26 -0.50 119.66 131.24 1aiw s GLN 57 Ca -0.07 1.51 0.14 0.00 0.05 0.00 0.00 55.36 56.99 1aiw s GLN 57 Cb -0.08 -3.42 -0.18 0.00 1.10 0.00 0.00 33.01 30.43 1aiw s GLN 57 CO -0.07 -0.07 0.50 1.33 -0.55 0.00 0.00 175.29 176.43 1aiw n VAL 58 N 3.76 0.00 -3.18 1.34 0.24 0.24 -4.93 118.33 115.80 1aiw n VAL 58 Ca 0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1aiw n VAL 58 Cb 0.50 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1aiw n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aiw n GLY 59 N 1.45 -1.54 3.18 7.63 0.00 -1.13 -4.99 105.19 109.80 1aiw n GLY 59 Ca 0.01 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1aiw n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aiw s SER 60 N -3.33 5.94 0.13 1.61 0.01 -1.26 -0.45 113.70 116.36 1aiw s SER 60 Ca 0.00 -3.05 -0.14 0.00 1.31 0.00 0.00 55.95 54.08 1aiw s SER 60 Cb 0.00 -1.99 0.09 0.00 0.21 0.00 0.00 66.02 64.34 1aiw s SER 60 CO 0.00 -0.38 0.98 0.00 0.41 0.00 0.00 173.24 174.25