#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiw s GLY 2 N 0.00 1.94 0.49 3.17 0.00 0.17 -3.95 107.32 109.14 1aiw s GLY 2 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.58 1aiw s GLY 2 CO 0.00 -1.05 0.84 0.51 0.00 0.00 0.00 173.10 173.39 1aiw s ASP 3 N -2.60 6.33 -0.72 1.64 -4.77 -1.26 0.10 116.67 115.39 1aiw s ASP 3 Ca 0.30 1.10 -0.22 0.00 -3.30 0.00 0.00 52.55 50.43 1aiw s ASP 3 Cb -0.12 -2.32 0.08 0.00 -1.09 0.00 0.00 42.92 39.47 1aiw s ASP 3 CO 0.23 -0.59 1.02 0.00 0.70 0.00 0.00 175.17 176.53 1aiw h ALA 5 N 9.48 2.19 0.00 0.00 0.00 -1.97 0.13 119.26 129.09 1aiw h ALA 5 Ca -0.20 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1aiw h ALA 5 Cb 1.06 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1aiw h ALA 5 CO 1.18 -0.67 0.00 0.27 0.00 0.00 0.00 179.25 180.03 1aiw n ASN 6 N -4.74 0.00 -4.28 0.00 0.23 -1.26 -4.83 115.26 100.38 1aiw n ASN 6 Ca 0.28 -0.23 -0.17 0.00 -0.53 0.00 0.00 54.58 53.93 1aiw n ASN 6 Cb 0.95 -0.18 -0.10 0.00 -2.08 0.00 0.00 39.78 38.37 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 -2.37 1.80 0.05 -2.53 0.00 0.46 -5.11 121.76 114.07 1aiw s ALA 7 Ca 0.23 -1.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.04 1aiw s ALA 7 Cb 0.14 1.04 -0.10 0.00 0.00 0.00 0.00 23.12 24.20 1aiw s ALA 7 CO 0.28 -0.46 1.94 0.09 0.00 0.00 0.00 175.76 177.62 1aiw n ASN 8 N -0.54 4.12 -4.53 0.00 4.13 -1.26 -4.80 115.26 112.37 1aiw n ASN 8 Ca -0.00 0.92 -0.34 0.00 1.68 0.00 0.00 54.58 56.85 1aiw n ASN 8 Cb 0.66 -1.53 -0.12 0.00 -1.54 0.00 0.00 39.78 37.26 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 4.03 4.00 0.11 2.41 0.11 -1.26 -0.52 120.40 129.29 1aiw s VAL 9 Ca 0.87 -0.32 -0.34 0.00 -2.93 0.00 0.00 61.98 59.26 1aiw s VAL 9 Cb -0.45 -2.75 -0.18 0.00 -1.53 0.00 0.00 36.38 31.47 1aiw s VAL 9 CO 0.41 0.51 0.97 0.00 -3.33 0.00 0.00 175.10 173.66 1aiw n TYR 10 N 3.33 0.61 -0.77 1.54 9.36 0.29 -0.10 117.16 131.42 1aiw n TYR 10 Ca -0.17 0.89 -0.19 0.00 3.32 0.00 0.00 57.90 61.75 1aiw n TYR 10 Cb 0.53 -2.13 0.14 0.00 -0.63 0.00 0.00 39.34 37.25 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 1.50 2.00 -1.19 2.98 -0.04 -1.26 -4.97 135.00 134.02 1aiw n PRO 11 Ca 0.18 -2.38 -0.35 0.00 -0.04 0.00 0.00 63.50 60.91 1aiw n PRO 11 Cb 0.18 -1.93 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 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 -0.80 5.98 -4.33 3.54 3.02 0.86 -4.92 115.26 118.62 1aiw n ASN 12 Ca 0.47 -2.55 -0.34 0.00 -0.03 0.00 0.00 54.58 52.13 1aiw n ASN 12 Cb 1.42 -1.38 0.10 0.00 -0.61 0.00 0.00 39.78 39.31 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 4.68 -2.18 -0.02 3.10 5.03 -1.26 -4.37 117.44 122.42 1aiw n TRP 13 Ca 0.60 0.19 -0.22 0.00 3.03 0.00 0.00 57.50 61.10 1aiw n TRP 13 Cb 0.25 -1.72 -0.13 0.00 -1.03 0.00 0.00 31.31 28.67 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 -1.33 0.75 -3.19 -0.99 2.07 -1.88 -3.45 116.25 108.23 1aiw h VAL 14 Ca -0.44 -2.31 -0.58 0.00 0.82 0.00 0.00 66.70 64.19 1aiw h VAL 14 Cb 1.29 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 33.47 1aiw h VAL 14 CO 0.33 0.72 -0.08 -0.44 0.02 0.00 0.00 177.57 178.11 1aiw s SER 15 N -7.01 6.97 0.37 0.57 0.01 0.20 -4.97 113.70 109.84 1aiw s SER 15 Ca -0.24 1.15 0.08 0.00 1.31 0.00 0.00 55.95 58.25 1aiw s SER 15 Cb 0.06 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1aiw s SER 15 CO 0.72 0.26 0.20 -0.54 0.41 0.00 0.00 173.24 174.30 1aiw s LYS 16 N -0.94 2.40 0.27 12.44 1.02 -1.26 -0.96 119.74 132.71 1aiw s LYS 16 Ca 0.28 -1.59 0.02 0.00 0.02 0.00 0.00 55.97 54.70 1aiw s LYS 16 Cb -0.18 -2.19 0.39 0.00 -0.52 0.00 0.00 37.83 35.32 1aiw s LYS 16 CO 0.17 0.01 1.71 -0.44 -0.92 0.00 0.00 175.35 175.88 1aiw h ASP 17 N 1.41 0.50 -5.13 2.83 3.32 -1.86 -3.46 116.42 114.04 1aiw h ASP 17 Ca -0.43 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.40 1aiw h ASP 17 Cb 1.25 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.55 1aiw h ASP 17 CO 0.63 0.75 -0.09 -1.66 -1.72 0.00 0.00 179.24 177.16 1aiw s TRP 18 N -4.49 -0.01 0.21 4.55 1.48 -1.26 -5.01 118.94 114.40 1aiw s TRP 18 Ca -0.07 -0.33 -0.21 0.00 -1.06 0.00 0.00 56.10 54.43 1aiw s TRP 18 Cb 0.14 0.25 0.15 0.00 -1.16 0.00 0.00 33.47 32.84 1aiw s TRP 18 CO 0.79 -0.81 1.54 0.00 -4.06 0.00 0.00 176.95 174.42 1aiw n ALA 19 N -0.28 -0.28 0.97 2.67 0.00 -1.26 -0.41 120.51 121.93 1aiw n ALA 19 Ca -0.11 0.95 0.10 0.00 0.00 0.00 0.00 53.44 54.38 1aiw n ALA 19 Cb 0.63 -0.35 0.31 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.41 0.65 3.88 0.00 0.00 -1.26 -4.95 105.19 102.11 1aiw n GLY 20 Ca 0.08 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.46 1.61 0.80 -0.02 0.00 0.45 -5.07 107.32 103.63 1aiw s GLY 21 Ca 0.33 -0.70 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 1aiw s GLY 21 CO 0.26 -0.16 1.11 -0.86 0.00 0.00 0.00 173.10 173.45 1aiw s GLN 22 N -5.56 2.05 0.45 2.90 -2.07 -1.26 -4.78 119.66 111.39 1aiw s GLN 22 Ca 0.64 0.55 -0.24 0.00 -1.82 0.00 0.00 55.36 54.49 1aiw s GLN 22 Cb -0.11 -1.92 -0.07 0.00 -1.09 0.00 0.00 33.01 29.82 1aiw s GLN 22 CO 0.50 -1.62 1.23 -2.14 -1.32 0.00 0.00 175.29 171.94 1aiw s PRO 23 N -5.22 3.74 0.00 9.60 0.02 -1.26 -3.49 135.00 138.39 1aiw s PRO 23 Ca 0.61 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1aiw s PRO 23 Cb -0.14 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.88 1aiw s PRO 23 CO 0.54 -0.62 0.00 2.41 -0.33 0.00 0.00 177.00 178.99 1aiw n THR 24 N -0.36 0.00 0.00 0.99 -1.04 -0.13 -4.88 114.28 108.86 1aiw n THR 24 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1aiw n THR 24 Cb 0.46 1.13 0.00 0.00 -1.82 0.00 0.00 70.33 70.11 1aiw n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aiw n HIS 25 N 0.00 0.00 -3.86 -1.42 1.44 -0.93 -4.74 115.22 105.71 1aiw n HIS 25 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 1aiw n HIS 25 Cb 0.06 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.04 1aiw n HIS 25 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1aiw s ASN 26 N 0.00 4.96 0.60 4.39 3.84 0.44 -0.63 114.94 128.54 1aiw s ASN 26 Ca 0.00 -1.12 -0.08 0.00 0.21 0.00 0.00 52.86 51.87 1aiw s ASN 26 Cb 0.00 -1.77 -0.01 0.00 -0.55 0.00 0.00 41.25 38.92 1aiw s ASN 26 CO 0.00 -0.25 0.95 -1.61 -2.79 0.00 0.00 177.10 173.40 1aiw s GLU 27 N 1.33 3.16 -0.08 0.43 2.02 -1.26 -2.07 118.70 122.23 1aiw s GLU 27 Ca -0.03 0.30 -0.38 0.00 0.02 0.00 0.00 54.97 54.88 1aiw s GLU 27 Cb -0.19 -2.19 -0.18 0.00 0.10 0.00 0.00 34.13 31.66 1aiw s GLU 27 CO -0.00 -0.66 1.07 0.00 0.02 0.00 0.00 175.26 175.70 1aiw n ALA 28 N -2.65 -3.02 -0.20 5.21 0.00 0.13 -0.95 120.51 119.03 1aiw n ALA 28 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1aiw n ALA 28 Cb 0.56 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.79 2.51 3.74 0.00 0.00 0.17 -4.95 105.19 108.45 1aiw n GLY 29 Ca 0.20 0.00 -0.40 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 -0.01 4.63 0.25 1.61 -1.52 -0.12 -4.83 119.66 119.67 1aiw s GLN 30 Ca 0.00 1.29 0.04 0.00 -1.95 0.00 0.00 55.36 54.73 1aiw s GLN 30 Cb 0.00 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 1aiw s GLN 30 CO 0.00 0.33 0.39 -1.12 -0.25 0.00 0.00 175.29 174.63 1aiw s SER 31 N -0.33 6.32 0.20 5.90 0.01 -1.26 -2.69 113.70 121.85 1aiw s SER 31 Ca 0.42 0.16 -0.22 0.00 1.31 0.00 0.00 55.95 57.62 1aiw s SER 31 Cb -0.23 -1.90 0.05 0.00 0.21 0.00 0.00 66.02 64.15 1aiw s SER 31 CO 0.27 -0.10 0.64 -0.51 0.41 0.00 0.00 173.24 173.95 1aiw s ILE 32 N -2.01 0.00 0.34 1.44 2.07 0.50 -4.75 121.20 118.79 1aiw s ILE 32 Ca 0.35 -0.39 0.08 0.00 -1.41 0.00 0.00 60.65 59.29 1aiw s ILE 32 Cb -0.09 -1.38 -0.07 0.00 0.13 0.00 0.00 42.46 41.05 1aiw s ILE 32 CO 0.30 -0.01 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.56 1aiw s VAL 33 N -3.82 2.06 0.21 4.00 1.01 0.33 -0.42 120.40 123.77 1aiw s VAL 33 Ca 0.05 -2.16 0.00 0.00 0.00 0.00 0.00 61.98 59.87 1aiw s VAL 33 Cb -0.03 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1aiw s VAL 33 CO -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 174.86 1aiw n TYR 34 N -0.77 -1.80 -3.66 5.22 9.36 -1.23 -0.55 117.16 123.74 1aiw n TYR 34 Ca -0.05 0.32 -0.07 0.00 3.32 0.00 0.00 57.90 61.42 1aiw n TYR 34 Cb 0.64 0.52 -0.08 0.00 -0.63 0.00 0.00 39.34 39.79 1aiw n TYR 34 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1aiw s LYS 35 N -1.75 0.51 0.00 2.98 -2.85 -1.26 -4.15 119.74 113.23 1aiw s LYS 35 Ca 0.00 1.13 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1aiw s LYS 35 Cb 0.00 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1aiw s LYS 35 CO 0.00 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1aiw n GLY 36 N 4.79 0.35 3.64 0.59 0.00 0.11 -4.65 105.19 110.02 1aiw n GLY 36 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 4.83 -0.20 1.61 0.01 -1.26 -0.67 114.94 119.27 1aiw s ASN 37 Ca 0.00 -0.13 -0.13 0.00 -0.71 0.00 0.00 52.86 51.89 1aiw s ASN 37 Cb 0.00 -1.16 -0.05 0.00 0.41 0.00 0.00 41.25 40.46 1aiw s ASN 37 CO 0.00 0.25 0.26 -0.22 -1.51 0.00 0.00 177.10 175.88 1aiw s LEU 38 N -1.71 4.18 0.21 0.60 2.96 0.05 -3.48 118.68 121.49 1aiw s LEU 38 Ca 0.20 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1aiw s LEU 38 Cb -0.11 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1aiw s LEU 38 CO 0.11 0.06 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.79 1aiw s TYR 39 N 0.82 1.66 0.01 5.38 2.02 0.44 -0.66 117.35 127.02 1aiw s TYR 39 Ca 0.13 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1aiw s TYR 39 Cb -0.13 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 1aiw s TYR 39 CO 0.04 0.24 -0.03 0.99 -1.57 0.00 0.00 175.55 175.22 1aiw s THR 40 N -3.11 0.17 0.28 -0.71 2.01 0.24 -0.37 115.64 114.16 1aiw s THR 40 Ca 0.24 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.52 1aiw s THR 40 Cb 0.02 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.21 1aiw s THR 40 CO 0.07 -0.25 0.73 0.00 -0.69 0.00 0.00 174.62 174.48 1aiw s ALA 41 N -0.81 3.36 -0.01 7.40 0.00 -1.10 -1.56 121.76 129.04 1aiw s ALA 41 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 1aiw s ALA 41 Cb -0.06 -2.78 -0.28 0.00 0.00 0.00 0.00 23.12 20.00 1aiw s ALA 41 CO -0.00 0.33 0.80 -0.91 0.00 0.00 0.00 175.76 175.98 1aiw h ASN 42 N 2.68 0.39 0.00 0.00 2.35 -1.17 0.51 115.58 120.34 1aiw h ASN 42 Ca -0.48 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 54.70 1aiw h ASN 42 Cb 1.18 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1aiw h ASN 42 CO 0.65 1.48 0.00 -2.67 -1.65 0.00 0.00 177.43 175.24 1aiw n TRP 43 N -3.44 -0.31 -3.65 1.19 2.14 -1.26 -4.66 117.44 107.44 1aiw n TRP 43 Ca -0.18 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.26 1aiw n TRP 43 Cb 1.05 0.50 -0.08 0.00 -0.81 0.00 0.00 31.31 31.97 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 -1.00 -0.77 -0.23 -2.67 6.14 -1.26 0.21 117.35 117.77 1aiw s TYR 44 Ca 0.00 1.82 -0.29 0.00 0.64 0.00 0.00 57.07 59.24 1aiw s TYR 44 Cb 0.00 0.30 0.16 0.00 0.42 0.00 0.00 41.96 42.84 1aiw s TYR 44 CO 0.00 -0.37 1.18 -0.08 0.64 0.00 0.00 175.55 176.91 1aiw s THR 45 N 0.54 0.00 -0.08 4.34 -1.32 -0.88 -4.68 115.64 113.56 1aiw s THR 45 Ca -0.02 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.62 1aiw s THR 45 Cb -0.05 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.26 1aiw s THR 45 CO -0.02 0.00 1.15 0.00 -2.21 0.00 0.00 174.62 173.54 1aiw n ALA 46 N 0.92 2.65 -2.50 11.08 0.00 -1.26 -0.42 120.51 130.98 1aiw n ALA 46 Ca -0.07 -2.41 -0.30 0.00 0.00 0.00 0.00 53.44 50.66 1aiw n ALA 46 Cb 0.58 -0.52 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.31 6.50 -0.28 0.00 0.01 -1.26 -5.00 113.70 111.35 1aiw s SER 47 Ca 0.28 0.76 -0.38 0.00 1.31 0.00 0.00 55.95 57.92 1aiw s SER 47 Cb 0.29 -2.16 -0.14 0.00 0.21 0.00 0.00 66.02 64.21 1aiw s SER 47 CO -0.07 -0.15 1.89 0.52 0.41 0.00 0.00 173.24 175.84 1aiw n VAL 48 N -0.65 0.30 -1.71 3.43 0.31 -1.26 -4.80 118.33 113.96 1aiw n VAL 48 Ca -0.01 -0.11 -0.58 0.00 -0.01 0.00 0.00 64.34 63.63 1aiw n VAL 48 Cb 0.53 -1.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.01 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 6.33 1.06 0.00 5.55 -0.02 -1.26 -0.69 135.00 145.98 1aiw n PRO 49 Ca 0.31 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1aiw n PRO 49 Cb 0.17 -2.06 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 4.11 2.83 2.39 -1.23 0.00 -1.26 -4.87 105.19 107.16 1aiw n GLY 50 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 7.33 0.00 1.61 2.88 0.14 -4.91 113.62 120.67 1aiw n SER 51 Ca 0.00 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 1aiw n SER 51 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 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 3.71 0.00 0.00 -3.46 8.00 -1.26 -4.74 116.55 118.80 1aiw n ASP 52 Ca 0.66 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1aiw n ASP 52 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 4.47 0.00 -1.11 -2.24 2.88 -1.26 -0.72 113.62 115.64 1aiw n SER 53 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1aiw n SER 53 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1aiw n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1aiw n SER 54 N 1.38 -0.06 -5.01 -3.46 7.64 -1.26 -5.09 113.62 107.76 1aiw n SER 54 Ca 0.00 -1.91 -0.18 0.00 1.01 0.00 0.00 58.87 57.79 1aiw n SER 54 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1aiw n SER 54 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1aiw s TRP 55 N 0.00 2.56 -0.28 1.43 0.52 0.10 -0.62 118.94 122.65 1aiw s TRP 55 Ca 0.13 -0.46 -0.17 0.00 0.02 0.00 0.00 56.10 55.62 1aiw s TRP 55 Cb 0.15 -2.34 0.10 0.00 -1.15 0.00 0.00 33.47 30.23 1aiw s TRP 55 CO -0.07 -0.53 0.78 0.99 0.02 0.00 0.00 176.95 178.15 1aiw s THR 56 N -2.41 0.00 0.24 2.01 2.01 -0.60 -4.78 115.64 112.11 1aiw s THR 56 Ca 0.56 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 1aiw s THR 56 Cb -0.09 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 1aiw s THR 56 CO 0.34 0.00 0.97 -1.58 -0.69 0.00 0.00 174.62 173.66 1aiw s GLN 57 N 1.45 4.81 -0.00 4.92 0.74 -1.26 -0.59 119.66 129.73 1aiw s GLN 57 Ca -0.09 1.55 0.05 0.00 0.05 0.00 0.00 55.36 56.91 1aiw s GLN 57 Cb -0.05 -3.27 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 1aiw s GLN 57 CO -0.17 0.44 0.13 1.33 -0.55 0.00 0.00 175.29 176.47 1aiw n VAL 58 N 1.51 0.00 -3.31 1.34 0.24 0.16 -4.89 118.33 113.38 1aiw n VAL 58 Ca -0.02 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1aiw n VAL 58 Cb 0.47 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 1.89 -1.08 3.15 7.63 0.00 -1.10 -4.99 105.19 110.67 1aiw n GLY 59 Ca -0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.00 0.16 0.00 1.61 0.01 -1.26 -0.77 113.70 109.46 1aiw s SER 60 Ca 0.00 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 1aiw s SER 60 Cb 0.00 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 1aiw s SER 60 CO 0.00 -0.58 -0.01 0.00 0.41 0.00 0.00 173.24 173.06