#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 -0.43 0.30 3.17 0.00 -1.26 -4.88 105.19 102.09 1aiw n GLY 2 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.23 1aiw n GLY 2 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1aiw h ASP 3 N -2.11 0.59 0.04 1.61 2.03 -1.98 -2.75 116.42 113.85 1aiw h ASP 3 Ca -0.59 0.06 -0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1aiw h ASP 3 Cb 1.37 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1aiw h ASP 3 CO 0.60 0.32 -0.02 0.00 -1.03 0.00 0.00 179.24 179.11 1aiw n ALA 5 N -2.72 0.00 -1.56 0.00 0.00 -1.04 -4.85 120.51 110.34 1aiw n ALA 5 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1aiw n ALA 5 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1aiw n ALA 5 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1aiw n ASN 6 N 0.00 0.00 -4.00 0.00 0.23 -1.26 -4.51 115.26 105.72 1aiw n ASN 6 Ca 0.00 -1.00 -0.30 0.00 -0.53 0.00 0.00 54.58 52.75 1aiw n ASN 6 Cb 0.00 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 37.90 1aiw n ASN 6 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1aiw s ALA 7 N 0.00 2.00 -0.50 -2.53 0.00 -1.26 -4.91 121.76 114.57 1aiw s ALA 7 Ca 0.00 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.46 1aiw s ALA 7 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 1aiw s ALA 7 CO 0.00 -2.66 2.42 0.09 0.00 0.00 0.00 175.76 175.61 1aiw n ASN 8 N -3.93 2.25 -4.73 0.00 4.13 -1.26 -4.86 115.26 106.86 1aiw n ASN 8 Ca 0.16 -0.41 -0.35 0.00 1.68 0.00 0.00 54.58 55.66 1aiw n ASN 8 Cb 0.59 -1.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.21 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 11.74 5.39 0.13 2.41 0.11 -1.26 -0.57 120.40 138.35 1aiw s VAL 9 Ca 1.01 0.18 -0.34 0.00 -2.93 0.00 0.00 61.98 59.90 1aiw s VAL 9 Cb -0.26 -3.46 -0.17 0.00 -1.53 0.00 0.00 36.38 30.96 1aiw s VAL 9 CO 0.28 0.44 1.07 0.00 -3.33 0.00 0.00 175.10 173.57 1aiw n TYR 10 N 3.52 0.94 -0.78 1.54 9.36 -0.70 -0.10 117.16 130.94 1aiw n TYR 10 Ca -0.16 0.79 -0.20 0.00 3.32 0.00 0.00 57.90 61.65 1aiw n TYR 10 Cb 0.52 -2.20 0.11 0.00 -0.63 0.00 0.00 39.34 37.14 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 1.66 2.02 -1.33 2.98 -0.04 -1.26 -5.04 135.00 133.99 1aiw n PRO 11 Ca 0.17 -2.29 -0.39 0.00 -0.04 0.00 0.00 63.50 60.95 1aiw n PRO 11 Cb 0.21 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 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 -0.60 4.53 -4.65 3.54 3.02 0.86 -4.85 115.26 117.12 1aiw n ASN 12 Ca 0.45 -2.66 -0.31 0.00 -0.03 0.00 0.00 54.58 52.03 1aiw n ASN 12 Cb 1.16 -1.39 0.18 0.00 -0.61 0.00 0.00 39.78 39.12 1aiw n ASN 12 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1aiw s TRP 13 N 3.57 1.56 -0.11 3.10 0.52 -1.26 -4.45 118.94 121.88 1aiw s TRP 13 Ca 0.53 1.72 0.14 0.00 0.02 0.00 0.00 56.10 58.51 1aiw s TRP 13 Cb 0.14 -3.31 -0.02 0.00 -1.15 0.00 0.00 33.47 29.13 1aiw s TRP 13 CO -0.02 -2.97 1.29 0.28 0.02 0.00 0.00 176.95 175.55 1aiw h VAL 14 N -1.99 0.93 -3.62 4.03 2.07 -1.89 -3.46 116.25 112.33 1aiw h VAL 14 Ca -0.46 -2.38 -0.13 0.00 0.82 0.00 0.00 66.70 64.56 1aiw h VAL 14 Cb 1.28 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 33.41 1aiw h VAL 14 CO 0.43 0.53 -0.02 -0.44 0.02 0.00 0.00 177.57 178.09 1aiw s SER 15 N -6.37 0.33 -0.12 0.57 0.01 -1.02 -4.99 113.70 102.11 1aiw s SER 15 Ca 0.02 -1.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.05 1aiw s SER 15 Cb 0.08 0.70 -0.06 0.00 0.21 0.00 0.00 66.02 66.95 1aiw s SER 15 CO 0.77 -1.37 -0.14 1.17 0.41 0.00 0.00 173.24 174.08 1aiw n LYS 16 N -0.50 0.26 0.00 12.44 4.81 -1.26 -0.33 118.16 133.58 1aiw n LYS 16 Ca -0.03 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1aiw n LYS 16 Cb 0.61 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.65 1aiw n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aiw n ASP 17 N -3.33 0.00 -4.49 3.14 9.92 -1.26 -4.60 116.55 115.92 1aiw n ASP 17 Ca -0.23 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.75 1aiw n ASP 17 Cb 0.68 0.00 0.25 0.00 -0.64 0.00 0.00 41.12 41.41 1aiw n ASP 17 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1aiw s TRP 18 N 0.00 1.37 -0.39 1.24 0.52 -1.26 -4.99 118.94 115.43 1aiw s TRP 18 Ca 0.00 1.15 0.05 0.00 0.02 0.00 0.00 56.10 57.32 1aiw s TRP 18 Cb 0.00 -3.10 0.46 0.00 -1.15 0.00 0.00 33.47 29.68 1aiw s TRP 18 CO 0.00 -3.88 1.43 0.00 0.02 0.00 0.00 176.95 174.52 1aiw n ALA 19 N -4.92 5.31 0.00 0.98 0.00 -1.26 -4.60 120.51 116.03 1aiw n ALA 19 Ca 0.03 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.80 1aiw n ALA 19 Cb 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.80 0.00 3.25 0.00 0.00 -1.26 -5.18 105.19 101.20 1aiw n GLY 20 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 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 1.09 0.07 -0.02 0.00 -1.26 -5.11 107.32 102.10 1aiw s GLY 21 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 44.72 43.02 1aiw s GLY 21 CO 0.00 -1.45 1.79 -1.06 0.00 0.00 0.00 173.10 172.39 1aiw n GLN 22 N 0.26 2.48 -1.65 2.90 6.02 -1.26 -4.58 117.38 121.55 1aiw n GLN 22 Ca -0.13 0.90 -0.39 0.00 -0.01 0.00 0.00 57.00 57.36 1aiw n GLN 22 Cb 0.58 -2.76 0.03 0.00 1.02 0.00 0.00 30.24 29.12 1aiw n GLN 22 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1aiw n PRO 23 N 5.43 1.33 0.00 -1.09 -0.02 -1.26 -4.42 135.00 134.97 1aiw n PRO 23 Ca 0.19 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1aiw n PRO 23 Cb 0.33 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1aiw n PRO 23 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1aiw n THR 24 N -0.99 0.00 -3.61 3.45 5.66 0.55 -4.81 114.28 114.52 1aiw n THR 24 Ca 0.11 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1aiw n THR 24 Cb 0.43 0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 69.96 1aiw n THR 24 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1aiw s HIS 25 N 0.00 -0.07 -0.18 1.09 -3.43 0.20 -4.71 115.29 108.19 1aiw s HIS 25 Ca 0.00 -0.02 -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 -0.26 -0.13 1.21 -2.00 0.00 0.00 174.74 173.56 1aiw s ASN 26 N -2.74 3.75 0.29 7.38 3.84 0.43 -2.43 114.94 125.46 1aiw s ASN 26 Ca 0.13 -0.48 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1aiw s ASN 26 Cb 0.03 -1.60 -0.04 0.00 -0.55 0.00 0.00 41.25 39.09 1aiw s ASN 26 CO -0.04 0.04 0.48 -0.70 -2.79 0.00 0.00 177.10 174.09 1aiw s GLU 27 N 1.06 3.51 -0.24 0.43 2.12 -1.26 -1.31 118.70 123.01 1aiw s GLU 27 Ca -0.00 -0.35 -0.35 0.00 0.36 0.00 0.00 54.97 54.63 1aiw s GLU 27 Cb -0.15 -2.74 -0.16 0.00 0.26 0.00 0.00 34.13 31.35 1aiw s GLU 27 CO -0.03 0.26 1.09 0.00 -0.54 0.00 0.00 175.26 176.04 1aiw n ALA 28 N -1.33 -1.82 0.00 6.30 0.00 0.10 -0.65 120.51 123.11 1aiw n ALA 28 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1aiw n ALA 28 Cb 0.55 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 2.36 2.60 3.78 0.00 0.00 0.10 -4.95 105.19 109.09 1aiw n GLY 29 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.23 4.59 0.20 1.61 -1.52 0.18 -4.80 119.66 119.69 1aiw s GLN 30 Ca 0.00 1.30 0.05 0.00 -1.95 0.00 0.00 55.36 54.76 1aiw s GLN 30 Cb 0.00 -2.88 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 1aiw s GLN 30 CO 0.00 0.33 0.24 -1.12 -0.25 0.00 0.00 175.29 174.49 1aiw s SER 31 N -1.55 5.87 0.21 5.90 0.01 -1.26 -2.34 113.70 120.54 1aiw s SER 31 Ca 0.48 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.50 1aiw s SER 31 Cb -0.19 -1.62 0.03 0.00 0.21 0.00 0.00 66.02 64.44 1aiw s SER 31 CO 0.25 0.00 0.57 -0.51 0.41 0.00 0.00 173.24 173.96 1aiw s ILE 32 N -1.92 0.02 0.15 1.44 2.07 -0.13 -4.85 121.20 117.98 1aiw s ILE 32 Ca 0.33 -0.80 0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1aiw s ILE 32 Cb -0.09 -1.66 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 1aiw s ILE 32 CO 0.26 -0.07 -0.26 -0.69 -1.91 0.00 0.00 174.94 172.28 1aiw s VAL 33 N -3.88 2.26 -0.22 4.00 1.01 0.26 -0.44 120.40 123.38 1aiw s VAL 33 Ca 0.10 -1.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.15 1aiw s VAL 33 Cb -0.02 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1aiw s VAL 33 CO -0.01 0.01 0.50 -0.47 0.00 0.00 0.00 175.10 175.14 1aiw s TYR 34 N -1.27 -0.87 -0.54 5.22 5.04 -0.16 -1.73 117.35 123.04 1aiw s TYR 34 Ca 0.16 1.69 -0.12 0.00 -2.44 0.00 0.00 57.07 56.35 1aiw s TYR 34 Cb -0.09 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.67 1aiw s TYR 34 CO 0.07 -0.48 0.50 1.63 -1.34 0.00 0.00 175.55 175.93 1aiw n LYS 35 N 4.85 -1.35 0.00 4.97 4.76 -1.26 -2.08 118.16 128.05 1aiw n LYS 35 Ca -0.16 0.80 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1aiw n LYS 35 Cb 0.53 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1aiw n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aiw n GLY 36 N -0.92 0.64 3.77 0.72 0.00 -1.23 -4.93 105.19 103.23 1aiw n GLY 36 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 6.68 -0.24 1.61 0.01 -0.88 -0.52 114.94 121.60 1aiw s ASN 37 Ca 0.00 2.54 -0.12 0.00 -0.71 0.00 0.00 52.86 54.57 1aiw s ASN 37 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1aiw s ASN 37 CO 0.00 -0.58 0.23 -0.22 -1.51 0.00 0.00 177.10 175.01 1aiw s LEU 38 N -2.05 4.10 0.36 0.60 2.96 0.10 -0.99 118.68 123.76 1aiw s LEU 38 Ca 0.52 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.67 1aiw s LEU 38 Cb -0.36 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.05 1aiw s LEU 38 CO 0.47 0.00 0.02 -0.31 -1.32 0.00 0.00 176.35 175.21 1aiw s TYR 39 N 1.28 2.23 -0.01 5.38 2.02 0.41 -0.62 117.35 128.04 1aiw s TYR 39 Ca 0.10 -0.78 -0.15 0.00 -0.37 0.00 0.00 57.07 55.87 1aiw s TYR 39 Cb -0.14 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1aiw s TYR 39 CO 0.06 0.26 0.32 0.99 -1.57 0.00 0.00 175.55 175.61 1aiw s THR 40 N -2.98 0.06 0.30 -0.71 2.01 0.13 -0.96 115.64 113.50 1aiw s THR 40 Ca 0.35 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 1aiw s THR 40 Cb 0.08 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 1aiw s THR 40 CO 0.16 -0.26 0.74 0.00 -0.69 0.00 0.00 174.62 174.57 1aiw s ALA 41 N -1.35 3.33 -0.11 7.40 0.00 -0.99 -1.50 121.76 128.54 1aiw s ALA 41 Ca -0.13 0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1aiw s ALA 41 Cb -0.05 -2.79 -0.24 0.00 0.00 0.00 0.00 23.12 20.04 1aiw s ALA 41 CO 0.04 0.33 0.38 0.09 0.00 0.00 0.00 175.76 176.60 1aiw n ASN 42 N -0.15 1.45 0.00 0.00 3.02 0.54 -0.72 115.26 119.40 1aiw n ASN 42 Ca 0.02 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1aiw n ASN 42 Cb 0.53 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -3.23 -0.44 -3.67 3.10 2.14 -1.26 -4.67 117.44 109.42 1aiw n TRP 43 Ca -0.28 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.19 1aiw n TRP 43 Cb 1.05 0.36 -0.08 0.00 -0.81 0.00 0.00 31.31 31.83 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 -0.72 -0.79 -0.14 -2.67 6.14 -1.26 0.03 117.35 117.94 1aiw s TYR 44 Ca 0.00 1.71 -0.30 0.00 0.64 0.00 0.00 57.07 59.12 1aiw s TYR 44 Cb 0.00 0.38 0.12 0.00 0.42 0.00 0.00 41.96 42.89 1aiw s TYR 44 CO 0.00 -0.40 0.99 -0.08 0.64 0.00 0.00 175.55 176.70 1aiw s THR 45 N 1.08 0.00 -0.03 4.34 -1.32 -0.43 -4.69 115.64 114.58 1aiw s THR 45 Ca -0.06 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 1aiw s THR 45 Cb -0.06 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.00 1aiw s THR 45 CO -0.10 0.00 0.95 0.00 -2.21 0.00 0.00 174.62 173.26 1aiw n ALA 46 N 0.56 1.90 -2.01 11.08 0.00 -1.26 -0.43 120.51 130.35 1aiw n ALA 46 Ca -0.09 -1.31 -0.27 0.00 0.00 0.00 0.00 53.44 51.77 1aiw n ALA 46 Cb 0.58 -0.35 0.05 0.00 0.00 0.00 0.00 19.45 19.73 1aiw n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aiw s SER 47 N -1.29 5.29 -0.05 0.00 0.15 -1.26 -4.98 113.70 111.57 1aiw s SER 47 Ca 0.08 0.65 -0.33 0.00 0.70 0.00 0.00 55.95 57.05 1aiw s SER 47 Cb 0.07 -1.50 -0.11 0.00 -1.71 0.00 0.00 66.02 62.77 1aiw s SER 47 CO 0.01 -1.29 1.93 0.52 1.20 0.00 0.00 173.24 175.61 1aiw n VAL 48 N -2.74 0.65 -1.63 4.45 0.31 -1.26 -4.83 118.33 113.28 1aiw n VAL 48 Ca 0.06 -0.13 -0.55 0.00 -0.01 0.00 0.00 64.34 63.71 1aiw n VAL 48 Cb 0.59 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 1aiw n VAL 48 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1aiw n PRO 49 N 7.06 1.22 0.00 5.55 -0.02 -1.26 -0.63 135.00 146.91 1aiw n PRO 49 Ca 0.22 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1aiw n PRO 49 Cb 0.34 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 4.89 2.12 2.51 -1.23 0.00 -1.26 -4.85 105.19 107.36 1aiw n GLY 50 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1aiw n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1aiw n SER 51 N 0.00 6.52 0.00 1.61 2.88 0.19 -4.91 113.62 119.91 1aiw n SER 51 Ca 0.00 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 1aiw n SER 51 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1aiw n SER 51 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1aiw n ASP 52 N 4.27 0.00 0.00 -3.46 8.00 -1.26 -4.76 116.55 119.34 1aiw n ASP 52 Ca 0.62 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1aiw n ASP 52 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1aiw n SER 53 N 3.94 0.00 -0.81 -2.24 2.88 -1.26 -0.50 113.62 115.63 1aiw n SER 53 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1aiw n SER 53 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1aiw n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1aiw n SER 54 N 1.29 -0.08 -4.66 -3.46 2.88 -1.26 -4.98 113.62 103.34 1aiw n SER 54 Ca 0.00 -0.40 -0.30 0.00 -1.33 0.00 0.00 58.87 56.84 1aiw n SER 54 Cb 0.00 0.03 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.00 2.94 -0.09 0.66 0.52 0.35 -0.34 118.94 122.98 1aiw s TRP 55 Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 56.10 56.04 1aiw s TRP 55 Cb 0.01 -1.53 0.04 0.00 -1.15 0.00 0.00 33.47 30.84 1aiw s TRP 55 CO -0.00 0.46 0.19 0.99 0.02 0.00 0.00 176.95 178.61 1aiw s THR 56 N -1.25 -0.10 0.20 2.01 2.01 -0.56 -4.75 115.64 113.20 1aiw s THR 56 Ca 0.24 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 1aiw s THR 56 Cb -0.11 -0.31 -0.08 0.00 0.01 0.00 0.00 72.50 72.00 1aiw s THR 56 CO 0.16 0.08 1.03 -1.58 -0.69 0.00 0.00 174.62 173.62 1aiw s GLN 57 N 1.44 4.69 -0.01 4.92 0.74 -1.26 -0.69 119.66 129.50 1aiw s GLN 57 Ca -0.07 1.62 0.07 0.00 0.05 0.00 0.00 55.36 57.03 1aiw s GLN 57 Cb -0.11 -3.28 -0.10 0.00 1.10 0.00 0.00 33.01 30.62 1aiw s GLN 57 CO -0.07 0.25 0.19 1.33 -0.55 0.00 0.00 175.29 176.43 1aiw n VAL 58 N 2.00 0.00 -0.56 1.34 0.24 0.21 -4.91 118.33 116.66 1aiw n VAL 58 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1aiw n VAL 58 Cb 0.47 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.84 -0.60 2.90 7.63 0.00 -0.94 -4.99 105.19 111.03 1aiw n GLY 59 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 1aiw n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1aiw s SER 60 N -4.00 -0.04 -0.72 1.61 0.15 -1.26 -0.72 113.70 108.71 1aiw s SER 60 Ca 0.00 0.10 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 1aiw s SER 60 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1aiw s SER 60 CO 0.00 -0.03 1.60 0.00 1.20 0.00 0.00 173.24 176.01