#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 0.00 2.87 -5.12 0.00 -1.26 -4.57 105.19 97.10 1aiw n GLY 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1aiw n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aiw n ASP 3 N 0.00 3.41 -3.85 1.61 9.92 -1.26 -2.73 116.55 123.65 1aiw n ASP 3 Ca 0.00 -2.76 -0.23 0.00 -0.53 0.00 0.00 54.79 51.26 1aiw n ASP 3 Cb 0.00 -1.43 -0.18 0.00 -0.64 0.00 0.00 41.12 38.87 1aiw n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aiw h ALA 5 N 9.64 2.41 -0.72 0.00 0.00 -1.95 -0.01 119.26 128.64 1aiw h ALA 5 Ca 0.01 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1aiw h ALA 5 Cb 1.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1aiw h ALA 5 CO 1.34 -0.86 0.49 -0.91 0.00 0.00 0.00 179.25 179.31 1aiw h ASN 6 N 0.00 0.31 -0.87 0.00 2.35 -2.01 -3.43 115.58 111.94 1aiw h ASN 6 Ca 0.29 0.02 -0.66 0.00 -0.55 0.00 0.00 56.30 55.40 1aiw h ASN 6 Cb 1.38 -0.04 -0.13 0.00 0.05 0.00 0.00 38.32 39.58 1aiw h ASN 6 CO -0.00 0.16 -0.53 0.00 -1.65 0.00 0.00 177.43 175.40 1aiw s ALA 7 N -5.33 3.81 -0.01 -0.83 0.00 -0.02 -5.08 121.76 114.31 1aiw s ALA 7 Ca -0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1aiw s ALA 7 Cb 0.21 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 1aiw s ALA 7 CO 0.76 -0.07 2.00 -0.80 0.00 0.00 0.00 175.76 177.66 1aiw s ASN 8 N -3.82 6.29 -0.13 0.00 -0.87 -1.26 -4.85 114.94 110.30 1aiw s ASN 8 Ca 0.13 2.54 -0.09 0.00 -1.57 0.00 0.00 52.86 53.87 1aiw s ASN 8 Cb 0.04 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 1aiw s ASN 8 CO 0.07 -1.20 0.18 -0.69 -2.57 0.00 0.00 177.10 172.90 1aiw s VAL 9 N 5.07 5.41 0.26 1.60 1.01 -1.26 -0.37 120.40 132.11 1aiw s VAL 9 Ca 0.90 0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 1aiw s VAL 9 Cb -0.41 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1aiw s VAL 9 CO 0.40 0.56 1.42 0.00 0.00 0.00 0.00 175.10 177.48 1aiw n TYR 10 N 2.42 2.27 -1.18 5.22 9.36 -0.21 0.61 117.16 135.65 1aiw n TYR 10 Ca -0.18 0.42 -0.24 0.00 3.32 0.00 0.00 57.90 61.22 1aiw n TYR 10 Cb 0.54 -2.48 0.16 0.00 -0.63 0.00 0.00 39.34 36.94 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 1.93 2.26 -1.19 2.98 -0.04 -1.26 -5.02 135.00 134.65 1aiw n PRO 11 Ca 0.11 -2.95 -0.36 0.00 -0.04 0.00 0.00 63.50 60.26 1aiw n PRO 11 Cb 0.33 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.07 4.78 -4.42 3.54 3.02 0.20 -4.91 115.26 116.41 1aiw n ASN 12 Ca 0.58 -2.59 -0.37 0.00 -0.03 0.00 0.00 54.58 52.18 1aiw n ASN 12 Cb 1.53 -1.32 0.05 0.00 -0.61 0.00 0.00 39.78 39.43 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 5.42 -1.24 0.19 3.10 7.02 -1.26 -4.27 117.44 126.40 1aiw n TRP 13 Ca 0.54 0.37 0.07 0.00 -1.02 0.00 0.00 57.50 57.46 1aiw n TRP 13 Cb 0.29 -1.88 0.34 0.00 -2.42 0.00 0.00 31.31 27.64 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1aiw h VAL 14 N -0.16 0.76 -3.54 -0.99 2.07 -1.87 -3.44 116.25 109.08 1aiw h VAL 14 Ca -0.45 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 1aiw h VAL 14 Cb 1.37 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.99 1aiw h VAL 14 CO 0.43 0.33 -0.06 -0.44 0.02 0.00 0.00 177.57 177.85 1aiw s SER 15 N -6.36 -0.12 0.00 0.57 0.01 -1.21 -4.97 113.70 101.62 1aiw s SER 15 Ca 0.01 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1aiw s SER 15 Cb 0.10 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1aiw s SER 15 CO 0.68 -1.18 0.00 1.17 0.41 0.00 0.00 173.24 174.32 1aiw n LYS 16 N -0.40 2.22 -0.23 12.44 0.00 -1.26 -1.25 118.16 129.68 1aiw n LYS 16 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.31 1aiw n LYS 16 Cb 0.61 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.78 1aiw n LYS 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1aiw h ASP 17 N 0.00 0.36 -4.07 3.14 3.58 -1.92 -3.43 116.42 114.08 1aiw h ASP 17 Ca 0.00 0.07 -0.45 0.00 0.42 0.00 0.00 57.03 57.08 1aiw h ASP 17 Cb 0.00 0.02 -0.19 0.00 1.72 0.00 0.00 39.33 40.88 1aiw h ASP 17 CO 0.00 0.20 -0.77 -1.66 -2.88 0.00 0.00 179.24 174.13 1aiw s TRP 18 N -6.06 1.47 0.09 0.28 1.48 -1.26 -5.09 118.94 109.85 1aiw s TRP 18 Ca -0.13 -0.51 -0.18 0.00 -1.06 0.00 0.00 56.10 54.23 1aiw s TRP 18 Cb 0.18 -0.78 -0.04 0.00 -1.16 0.00 0.00 33.47 31.67 1aiw s TRP 18 CO 0.76 0.16 1.18 0.00 -4.06 0.00 0.00 176.95 174.99 1aiw n ALA 19 N 0.69 -0.36 1.74 2.67 0.00 -1.26 -1.46 120.51 122.53 1aiw n ALA 19 Ca -0.17 0.48 0.09 0.00 0.00 0.00 0.00 53.44 53.85 1aiw n ALA 19 Cb 0.56 0.07 0.46 0.00 0.00 0.00 0.00 19.45 20.54 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 -1.14 -0.58 3.80 0.00 0.00 -1.26 -4.67 105.19 101.35 1aiw n GLY 20 Ca 0.01 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.53 2.18 -0.17 -0.02 0.00 -0.53 -4.95 107.32 102.29 1aiw s GLY 21 Ca 0.27 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 1aiw s GLY 21 CO 0.21 0.72 1.99 1.20 0.00 0.00 0.00 173.10 177.23 1aiw s GLN 22 N -3.96 3.52 0.38 2.90 -0.21 -1.26 -4.39 119.66 116.64 1aiw s GLN 22 Ca 0.64 2.02 -0.18 0.00 0.02 0.00 0.00 55.36 57.86 1aiw s GLN 22 Cb -0.16 -4.24 -0.14 0.00 1.00 0.00 0.00 33.01 29.48 1aiw s GLN 22 CO 0.34 -1.65 0.02 -2.30 -2.12 0.00 0.00 175.29 169.58 1aiw n PRO 23 N 8.22 0.00 0.00 2.91 -0.02 -1.26 -4.74 135.00 140.11 1aiw n PRO 23 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1aiw n PRO 23 Cb 0.44 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 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 -1.03 0.00 -3.63 3.45 -2.24 -0.38 -4.84 114.28 105.60 1aiw n THR 24 Ca 0.09 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 1aiw n THR 24 Cb 0.37 1.20 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.01 -0.04 -0.36 4.78 -3.43 -0.91 -4.73 115.29 110.58 1aiw s HIS 25 Ca 0.00 0.03 -0.14 0.00 -0.80 0.00 0.00 55.06 54.15 1aiw s HIS 25 Cb 0.00 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1aiw s HIS 25 CO 0.00 -0.06 0.29 1.21 -2.00 0.00 0.00 174.74 174.18 1aiw s ASN 26 N -1.92 6.11 0.66 7.38 3.84 0.64 -3.36 114.94 128.28 1aiw s ASN 26 Ca 0.11 -0.51 -0.10 0.00 0.21 0.00 0.00 52.86 52.57 1aiw s ASN 26 Cb -0.01 -2.16 0.01 0.00 -0.55 0.00 0.00 41.25 38.54 1aiw s ASN 26 CO -0.03 -0.33 1.02 -0.70 -2.79 0.00 0.00 177.10 174.27 1aiw s GLU 27 N 1.80 2.93 -0.01 0.43 2.12 -1.26 -1.41 118.70 123.29 1aiw s GLU 27 Ca 0.07 0.32 -0.38 0.00 0.36 0.00 0.00 54.97 55.35 1aiw s GLU 27 Cb -0.18 -2.11 -0.17 0.00 0.26 0.00 0.00 34.13 31.94 1aiw s GLU 27 CO 0.11 -0.89 1.43 0.00 -0.54 0.00 0.00 175.26 175.37 1aiw n ALA 28 N -2.84 -0.93 0.00 6.30 0.00 0.15 -1.73 120.51 121.45 1aiw n ALA 28 Ca 0.06 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1aiw n ALA 28 Cb 0.57 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 2.89 2.64 3.76 0.00 0.00 0.03 -4.97 105.19 109.53 1aiw n GLY 29 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1aiw n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aiw s GLN 30 N -0.25 4.78 0.43 1.61 -2.07 -0.71 -4.82 119.66 118.64 1aiw s GLN 30 Ca 0.00 1.40 0.01 0.00 -1.82 0.00 0.00 55.36 54.96 1aiw s GLN 30 Cb 0.00 -3.28 -0.00 0.00 -1.09 0.00 0.00 33.01 28.64 1aiw s GLN 30 CO 0.00 0.53 0.64 -1.54 -1.32 0.00 0.00 175.29 173.60 1aiw s SER 31 N -1.15 5.84 -0.01 12.60 1.04 -1.26 -2.96 113.70 127.80 1aiw s SER 31 Ca 0.40 0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.79 1aiw s SER 31 Cb -0.25 -1.48 0.06 0.00 0.10 0.00 0.00 66.02 64.45 1aiw s SER 31 CO 0.30 -0.67 0.56 -0.51 0.98 0.00 0.00 173.24 173.91 1aiw s ILE 32 N -2.50 0.02 0.08 -1.02 2.07 0.18 -4.76 121.20 115.27 1aiw s ILE 32 Ca 0.48 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1aiw s ILE 32 Cb -0.10 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1aiw s ILE 32 CO 0.37 -0.09 0.26 -0.69 -1.91 0.00 0.00 174.94 172.88 1aiw s VAL 33 N -1.58 5.33 -0.30 4.00 1.01 0.50 -0.58 120.40 128.79 1aiw s VAL 33 Ca -0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1aiw s VAL 33 Cb -0.01 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.89 1aiw s VAL 33 CO 0.05 0.11 0.63 -0.47 0.00 0.00 0.00 175.10 175.42 1aiw s TYR 34 N -1.56 -1.44 -0.50 5.22 5.04 0.01 -1.04 117.35 123.08 1aiw s TYR 34 Ca 0.37 2.11 -0.27 0.00 -2.44 0.00 0.00 57.07 56.84 1aiw s TYR 34 Cb -0.13 0.72 0.04 0.00 0.35 0.00 0.00 41.96 42.94 1aiw s TYR 34 CO 0.27 -0.74 0.59 1.63 -1.34 0.00 0.00 175.55 175.96 1aiw n LYS 35 N 5.44 -1.67 0.00 4.97 5.02 -1.26 -2.13 118.16 128.53 1aiw n LYS 35 Ca -0.08 1.13 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1aiw n LYS 35 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.54 0.59 3.82 0.72 0.00 -1.10 -4.25 105.19 104.42 1aiw n GLY 36 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 6.65 -0.22 1.61 0.01 -0.91 -0.72 114.94 121.36 1aiw s ASN 37 Ca 0.00 1.74 -0.07 0.00 -0.71 0.00 0.00 52.86 53.82 1aiw s ASN 37 Cb 0.00 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 1aiw s ASN 37 CO 0.00 -0.57 0.06 -0.22 -1.51 0.00 0.00 177.10 174.87 1aiw s LEU 38 N -3.50 3.57 0.36 0.60 2.96 0.26 -0.81 118.68 122.13 1aiw s LEU 38 Ca 0.63 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.50 1aiw s LEU 38 Cb -0.12 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 1aiw s LEU 38 CO 0.20 0.05 0.01 -0.31 -1.32 0.00 0.00 176.35 174.98 1aiw s TYR 39 N 1.11 2.25 -0.03 5.38 2.02 0.26 -0.83 117.35 127.50 1aiw s TYR 39 Ca 0.04 -0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 55.82 1aiw s TYR 39 Cb -0.14 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1aiw s TYR 39 CO 0.03 0.29 0.36 0.99 -1.57 0.00 0.00 175.55 175.64 1aiw s THR 40 N -2.95 0.04 0.23 -0.71 2.01 0.12 -0.65 115.64 113.74 1aiw s THR 40 Ca 0.35 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 1aiw s THR 40 Cb 0.08 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.87 1aiw s THR 40 CO 0.16 -0.20 0.65 0.00 -0.69 0.00 0.00 174.62 174.54 1aiw s ALA 41 N -1.14 3.46 -0.05 7.40 0.00 -1.15 -1.85 121.76 128.43 1aiw s ALA 41 Ca -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1aiw s ALA 41 Cb -0.04 -2.67 -0.27 0.00 0.00 0.00 0.00 23.12 20.14 1aiw s ALA 41 CO 0.04 0.39 0.64 -0.91 0.00 0.00 0.00 175.76 175.92 1aiw h ASN 42 N 3.01 0.34 0.00 0.00 2.35 -1.26 0.12 115.58 120.14 1aiw h ASN 42 Ca -0.48 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 54.66 1aiw h ASN 42 Cb 1.18 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1aiw h ASN 42 CO 0.66 1.53 0.00 -2.67 -1.65 0.00 0.00 177.43 175.30 1aiw n TRP 43 N -3.39 0.00 -3.64 1.19 2.14 -1.26 -4.64 117.44 107.83 1aiw n TRP 43 Ca -0.22 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.28 1aiw n TRP 43 Cb 1.05 0.38 -0.07 0.00 -0.81 0.00 0.00 31.31 31.87 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 -0.80 -1.08 -0.12 -2.67 6.14 -1.26 0.33 117.35 117.88 1aiw s TYR 44 Ca 0.00 2.13 -0.30 0.00 0.64 0.00 0.00 57.07 59.54 1aiw s TYR 44 Cb 0.00 0.65 0.11 0.00 0.42 0.00 0.00 41.96 43.14 1aiw s TYR 44 CO 0.00 -0.54 0.91 -0.08 0.64 0.00 0.00 175.55 176.48 1aiw s THR 45 N 1.77 0.00 -0.02 4.34 -1.32 -0.50 -4.83 115.64 115.06 1aiw s THR 45 Ca -0.10 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.42 1aiw s THR 45 Cb -0.06 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.99 1aiw s THR 45 CO -0.20 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.09 1aiw n ALA 46 N 0.67 1.74 -1.95 11.08 0.00 -1.26 -0.26 120.51 130.53 1aiw n ALA 46 Ca -0.12 -1.15 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 1aiw n ALA 46 Cb 0.58 -0.24 0.08 0.00 0.00 0.00 0.00 19.45 19.87 1aiw n ALA 46 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aiw s SER 47 N -1.05 4.70 0.05 0.00 1.04 -1.26 -5.00 113.70 112.18 1aiw s SER 47 Ca 0.06 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 1aiw s SER 47 Cb 0.05 -0.79 -0.08 0.00 0.10 0.00 0.00 66.02 65.30 1aiw s SER 47 CO 0.01 -1.64 1.69 -0.69 0.98 0.00 0.00 173.24 173.59 1aiw s VAL 48 N -3.17 3.09 0.34 5.02 1.01 -1.26 -4.88 120.40 120.54 1aiw s VAL 48 Ca 0.62 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 1aiw s VAL 48 Cb -0.09 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1aiw s VAL 48 CO 0.44 -0.01 1.21 -2.65 0.00 0.00 0.00 175.10 174.09 1aiw n PRO 49 N 6.02 1.90 0.00 2.72 -0.02 -1.26 -0.86 135.00 143.51 1aiw n PRO 49 Ca 0.17 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1aiw n PRO 49 Cb 0.41 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.89 1.05 0.14 -1.23 0.00 -1.26 -4.55 105.19 100.23 1aiw n GLY 50 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1aiw n GLY 50 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1aiw h SER 51 N 0.00 0.47 -2.95 1.61 0.02 -1.93 -3.48 113.55 107.29 1aiw h SER 51 Ca 0.00 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 1aiw h SER 51 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1aiw h SER 51 CO 0.00 1.03 0.00 0.47 -1.14 0.00 0.00 176.83 177.19 1aiw n ASP 52 N -4.37 0.95 -4.73 3.07 8.00 -0.03 -5.03 116.55 114.40 1aiw n ASP 52 Ca -0.08 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.29 1aiw n ASP 52 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1aiw n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aiw n SER 53 N -1.46 3.12 -1.66 -2.24 7.64 -1.26 -3.69 113.62 114.07 1aiw n SER 53 Ca 0.00 1.18 -0.18 0.00 1.01 0.00 0.00 58.87 60.88 1aiw n SER 53 Cb 0.00 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.60 1aiw n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1aiw n SER 54 N 0.42 -5.28 -4.73 6.43 2.88 -1.26 -4.76 113.62 107.32 1aiw n SER 54 Ca 0.04 0.30 -0.29 0.00 -1.33 0.00 0.00 58.87 57.59 1aiw n SER 54 Cb 0.38 -4.38 -0.07 0.00 -0.75 0.00 0.00 64.21 59.39 1aiw n SER 54 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1aiw s TRP 55 N -2.77 3.05 -0.19 0.66 0.52 -1.24 -0.76 118.94 118.21 1aiw s TRP 55 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 56.10 55.97 1aiw s TRP 55 Cb 0.00 -1.52 0.06 0.00 -1.15 0.00 0.00 33.47 30.86 1aiw s TRP 55 CO 0.00 0.51 0.48 0.99 0.02 0.00 0.00 176.95 178.95 1aiw s THR 56 N -1.51 -0.01 0.21 2.01 2.01 -0.77 -4.85 115.64 112.72 1aiw s THR 56 Ca 0.28 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1aiw s THR 56 Cb -0.11 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 1aiw s THR 56 CO 0.21 0.02 0.96 -1.58 -0.69 0.00 0.00 174.62 173.53 1aiw s GLN 57 N 0.97 4.80 0.00 4.92 0.74 -1.26 -0.70 119.66 129.13 1aiw s GLN 57 Ca -0.06 1.50 0.03 0.00 0.05 0.00 0.00 55.36 56.89 1aiw s GLN 57 Cb -0.06 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1aiw s GLN 57 CO -0.08 0.41 0.41 1.33 -0.55 0.00 0.00 175.29 176.81 1aiw n VAL 58 N 1.84 0.00 -0.30 1.34 0.24 -0.01 -4.91 118.33 116.53 1aiw n VAL 58 Ca -0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 1aiw n VAL 58 Cb 0.47 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.58 0.20 3.17 7.63 0.00 -1.15 -4.98 105.19 110.64 1aiw n GLY 59 Ca 0.01 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1aiw n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aiw s SER 60 N -4.00 0.11 0.29 1.61 1.04 -1.26 -0.57 113.70 110.92 1aiw s SER 60 Ca 0.00 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.96 1aiw s SER 60 Cb 0.00 0.28 0.44 0.00 0.10 0.00 0.00 66.02 66.84 1aiw s SER 60 CO 0.00 -0.59 1.73 0.00 0.98 0.00 0.00 173.24 175.36