#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 -0.47 0.21 3.17 0.00 -1.26 -4.88 105.19 101.96 1aiw n GLY 2 Ca 0.00 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.52 -0.04 0.08 1.61 9.92 -1.26 0.09 116.55 124.43 1aiw n ASP 3 Ca -0.06 1.01 -0.13 0.00 -0.53 0.00 0.00 54.79 55.08 1aiw n ASP 3 Cb 0.59 -0.38 -0.09 0.00 -0.64 0.00 0.00 41.12 40.60 1aiw n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aiw n ALA 5 N -2.41 0.00 -0.93 0.00 0.00 0.11 -4.30 120.51 112.99 1aiw n ALA 5 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1aiw n ALA 5 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -4.46 0.00 0.23 -1.26 -4.84 115.26 104.92 1aiw n ASN 6 Ca 0.00 -0.44 -0.29 0.00 -0.53 0.00 0.00 54.58 53.32 1aiw n ASN 6 Cb 0.00 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 37.85 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 2.34 -0.51 -2.53 0.00 -1.26 -4.91 121.76 114.90 1aiw s ALA 7 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1aiw s ALA 7 Cb 0.00 -2.86 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1aiw s ALA 7 CO 0.00 -2.15 2.39 0.09 0.00 0.00 0.00 175.76 176.08 1aiw n ASN 8 N -3.61 2.05 -4.70 0.00 4.13 -1.26 -4.75 115.26 107.12 1aiw n ASN 8 Ca 0.12 -0.07 -0.35 0.00 1.68 0.00 0.00 54.58 55.96 1aiw n ASN 8 Cb 0.60 -1.39 -0.09 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 9.96 4.73 0.08 2.41 0.11 -1.26 -0.54 120.40 135.88 1aiw s VAL 9 Ca 1.08 -0.07 -0.36 0.00 -2.93 0.00 0.00 61.98 59.69 1aiw s VAL 9 Cb -0.55 -3.06 -0.18 0.00 -1.53 0.00 0.00 36.38 31.06 1aiw s VAL 9 CO 0.37 0.55 1.08 0.00 -3.33 0.00 0.00 175.10 173.77 1aiw n TYR 10 N 2.68 0.84 -1.17 1.54 9.36 0.05 -0.12 117.16 130.34 1aiw n TYR 10 Ca -0.18 0.87 -0.28 0.00 3.32 0.00 0.00 57.90 61.63 1aiw n TYR 10 Cb 0.53 -2.17 0.11 0.00 -0.63 0.00 0.00 39.34 37.18 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 1.72 2.39 -1.17 2.98 -0.04 -1.26 -5.03 135.00 134.59 1aiw n PRO 11 Ca 0.18 -2.91 -0.34 0.00 -0.04 0.00 0.00 63.50 60.39 1aiw n PRO 11 Cb 0.16 -2.14 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 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 -0.82 6.20 -4.54 3.54 3.02 0.83 -4.86 115.26 118.63 1aiw n ASN 12 Ca 0.56 -2.54 -0.37 0.00 -0.03 0.00 0.00 54.58 52.20 1aiw n ASN 12 Cb 0.99 -1.38 0.05 0.00 -0.61 0.00 0.00 39.78 38.83 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 4.54 0.01 -0.06 3.10 5.03 -1.26 -4.55 117.44 124.25 1aiw n TRP 13 Ca 0.61 0.42 -0.08 0.00 3.03 0.00 0.00 57.50 61.47 1aiw n TRP 13 Cb 0.24 -2.03 -0.15 0.00 -1.03 0.00 0.00 31.31 28.34 1aiw n TRP 13 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1aiw n VAL 14 N -1.93 1.44 -0.23 -0.99 0.31 -1.25 -4.41 118.33 111.27 1aiw n VAL 14 Ca 0.12 -0.81 -0.08 0.00 -0.01 0.00 0.00 64.34 63.56 1aiw n VAL 14 Cb 0.48 -0.71 0.03 0.00 -0.91 0.00 0.00 33.84 32.73 1aiw n VAL 14 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1aiw h SER 15 N 0.00 0.95 -2.60 4.52 0.87 -1.68 -3.47 113.55 112.14 1aiw h SER 15 Ca -0.40 -0.22 0.31 0.00 -1.23 0.00 0.00 61.79 60.24 1aiw h SER 15 Cb 2.08 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 63.71 1aiw h SER 15 CO 0.05 0.92 -0.40 0.29 -0.53 0.00 0.00 176.83 177.16 1aiw n LYS 16 N -4.34 -2.26 0.20 2.24 5.02 -1.25 -4.06 118.16 113.71 1aiw n LYS 16 Ca 0.04 1.49 0.14 0.00 -2.02 0.00 0.00 58.31 57.96 1aiw n LYS 16 Cb 0.23 -2.76 0.52 0.00 -0.02 0.00 0.00 35.03 33.00 1aiw n LYS 16 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1aiw h ASP 17 N -1.04 0.00 0.00 4.39 3.32 -1.65 -3.42 116.42 118.02 1aiw h ASP 17 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1aiw h ASP 17 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1aiw h ASP 17 CO 0.01 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 174.86 1aiw n TRP 18 N -2.68 -1.29 0.06 4.55 4.27 -1.26 -5.03 117.44 116.06 1aiw n TRP 18 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 1aiw n TRP 18 Cb 0.32 0.28 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 1aiw n TRP 18 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aiw n ALA 19 N -1.85 0.00 0.82 -1.67 0.00 -1.26 -4.93 120.51 111.62 1aiw n ALA 19 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1aiw n ALA 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.45 -1.12 2.61 0.00 0.00 -1.26 -4.95 105.19 99.01 1aiw n GLY 20 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1aiw n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aiw n GLY 21 N 1.45 -2.26 3.70 -0.02 0.00 -1.26 -5.04 105.19 101.77 1aiw n GLY 21 Ca 0.03 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 1aiw n GLY 21 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aiw s GLN 22 N -4.89 1.46 1.07 1.61 -2.07 -1.26 -4.67 119.66 110.91 1aiw s GLN 22 Ca 0.52 1.52 -0.12 0.00 -1.82 0.00 0.00 55.36 55.46 1aiw s GLN 22 Cb -0.04 -1.78 0.23 0.00 -1.09 0.00 0.00 33.01 30.33 1aiw s GLN 22 CO 0.39 -2.30 1.06 -2.14 -1.32 0.00 0.00 175.29 170.98 1aiw s PRO 23 N -4.55 -0.19 0.00 9.60 0.02 -1.26 -2.07 135.00 136.55 1aiw s PRO 23 Ca 0.67 0.79 0.00 0.00 0.02 0.00 0.00 61.00 62.49 1aiw s PRO 23 Cb -0.23 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1aiw s PRO 23 CO 0.55 -3.22 0.00 2.41 -0.33 0.00 0.00 177.00 176.41 1aiw n THR 24 N -4.56 0.00 0.00 0.99 -1.04 -1.26 -4.52 114.28 103.89 1aiw n THR 24 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1aiw n THR 24 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -0.46 0.00 -4.16 -1.42 1.44 -1.26 -4.89 115.22 104.47 1aiw n HIS 25 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1aiw n HIS 25 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 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 5.09 0.29 4.39 3.84 0.20 -1.62 114.94 127.13 1aiw s ASN 26 Ca 0.00 -0.08 0.07 0.00 0.21 0.00 0.00 52.86 53.06 1aiw s ASN 26 Cb 0.00 -1.86 -0.03 0.00 -0.55 0.00 0.00 41.25 38.81 1aiw s ASN 26 CO 0.00 0.13 0.30 -1.61 -2.79 0.00 0.00 177.10 173.13 1aiw s GLU 27 N 0.58 2.97 -0.34 0.43 2.02 -1.26 -1.31 118.70 121.79 1aiw s GLU 27 Ca -0.00 -1.08 -0.41 0.00 0.02 0.00 0.00 54.97 53.50 1aiw s GLU 27 Cb -0.14 -2.63 -0.18 0.00 0.10 0.00 0.00 34.13 31.28 1aiw s GLU 27 CO 0.02 0.24 1.33 0.00 0.02 0.00 0.00 175.26 176.88 1aiw n ALA 28 N -1.36 -1.74 0.00 5.21 0.00 0.13 -0.41 120.51 122.34 1aiw n ALA 28 Ca -0.05 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1aiw n ALA 28 Cb 0.58 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 3.07 2.70 3.75 0.00 0.00 0.08 -4.95 105.19 109.84 1aiw n GLY 29 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.26 4.68 0.13 1.61 -1.52 0.46 -4.81 119.66 119.95 1aiw s GLN 30 Ca 0.00 1.69 0.05 0.00 -1.95 0.00 0.00 55.36 55.16 1aiw s GLN 30 Cb 0.00 -3.24 -0.04 0.00 -0.22 0.00 0.00 33.01 29.51 1aiw s GLN 30 CO 0.00 0.24 0.05 -1.12 -0.25 0.00 0.00 175.29 174.21 1aiw s SER 31 N -0.68 5.15 0.13 5.90 0.01 -1.26 -2.57 113.70 120.38 1aiw s SER 31 Ca 0.45 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 1aiw s SER 31 Cb -0.29 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1aiw s SER 31 CO 0.37 0.12 0.28 -0.51 0.41 0.00 0.00 173.24 173.91 1aiw s ILE 32 N -1.56 0.10 0.14 1.44 2.07 0.23 -4.83 121.20 118.78 1aiw s ILE 32 Ca 0.28 -1.13 0.09 0.00 -1.41 0.00 0.00 60.65 58.48 1aiw s ILE 32 Cb -0.11 -1.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.93 1aiw s ILE 32 CO 0.20 -0.43 -0.16 -0.69 -1.91 0.00 0.00 174.94 171.95 1aiw s VAL 33 N -3.89 2.90 -0.26 4.00 1.01 0.30 -0.54 120.40 123.92 1aiw s VAL 33 Ca 0.09 -1.58 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 1aiw s VAL 33 Cb 0.03 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.17 1aiw s VAL 33 CO -0.07 0.03 0.56 -0.47 0.00 0.00 0.00 175.10 175.16 1aiw s TYR 34 N -1.32 -1.15 -0.59 5.22 5.04 0.13 -0.77 117.35 123.91 1aiw s TYR 34 Ca 0.20 2.00 -0.25 0.00 -2.44 0.00 0.00 57.07 56.59 1aiw s TYR 34 Cb -0.10 0.61 0.04 0.00 0.35 0.00 0.00 41.96 42.86 1aiw s TYR 34 CO 0.11 -0.61 0.64 1.63 -1.34 0.00 0.00 175.55 175.99 1aiw n LYS 35 N 5.43 -1.79 0.00 4.97 5.02 -1.26 -2.50 118.16 128.03 1aiw n LYS 35 Ca -0.10 1.18 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 1aiw n LYS 35 Cb 0.49 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 -0.74 0.70 3.77 0.72 0.00 -1.25 -4.92 105.19 103.47 1aiw n GLY 36 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 7.02 -0.18 1.61 0.01 -1.04 -0.67 114.94 121.69 1aiw s ASN 37 Ca 0.00 2.23 -0.13 0.00 -0.71 0.00 0.00 52.86 54.26 1aiw s ASN 37 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1aiw s ASN 37 CO 0.00 -0.32 0.25 -0.22 -1.51 0.00 0.00 177.10 175.30 1aiw s LEU 38 N -1.91 4.22 0.10 0.60 2.96 0.30 -0.69 118.68 124.26 1aiw s LEU 38 Ca 0.50 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1aiw s LEU 38 Cb -0.29 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1aiw s LEU 38 CO 0.38 0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 175.11 1aiw s TYR 39 N 0.52 1.06 0.03 5.38 1.51 0.30 -0.84 117.35 125.32 1aiw s TYR 39 Ca 0.14 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.55 1aiw s TYR 39 Cb -0.13 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1aiw s TYR 39 CO 0.02 -0.01 -0.13 0.99 -1.11 0.00 0.00 175.55 175.31 1aiw s THR 40 N -2.65 1.06 0.30 -0.71 2.01 0.23 -0.60 115.64 115.27 1aiw s THR 40 Ca 0.07 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 61.03 1aiw s THR 40 Cb -0.01 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1aiw s THR 40 CO -0.00 0.05 0.69 0.00 -0.69 0.00 0.00 174.62 174.67 1aiw s ALA 41 N -0.75 3.38 -0.04 7.40 0.00 -1.06 -1.05 121.76 129.63 1aiw s ALA 41 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1aiw s ALA 41 Cb -0.07 -2.70 -0.25 0.00 0.00 0.00 0.00 23.12 20.11 1aiw s ALA 41 CO 0.01 0.37 0.67 -0.91 0.00 0.00 0.00 175.76 175.90 1aiw h ASN 42 N 2.33 0.17 0.00 0.00 2.35 -1.27 0.26 115.58 119.43 1aiw h ASN 42 Ca -0.48 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1aiw h ASN 42 Cb 1.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1aiw h ASN 42 CO 0.66 1.29 0.00 -2.67 -1.65 0.00 0.00 177.43 175.06 1aiw n TRP 43 N -3.24 -0.40 -3.67 1.19 2.14 -1.26 -4.58 117.44 107.62 1aiw n TRP 43 Ca -0.19 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.25 1aiw n TRP 43 Cb 1.04 0.47 -0.08 0.00 -0.81 0.00 0.00 31.31 31.93 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 -0.93 -0.71 -0.22 -2.67 6.14 -1.26 0.17 117.35 117.87 1aiw s TYR 44 Ca 0.00 1.67 -0.29 0.00 0.64 0.00 0.00 57.07 59.10 1aiw s TYR 44 Cb 0.00 0.28 0.15 0.00 0.42 0.00 0.00 41.96 42.81 1aiw s TYR 44 CO 0.00 -0.35 1.12 -0.08 0.64 0.00 0.00 175.55 176.88 1aiw s THR 45 N 0.55 0.00 -0.17 4.34 -1.32 -0.42 -4.91 115.64 113.70 1aiw s THR 45 Ca -0.02 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.70 1aiw s THR 45 Cb -0.05 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.42 1aiw s THR 45 CO -0.03 0.00 1.13 0.00 -2.21 0.00 0.00 174.62 173.52 1aiw n ALA 46 N 1.01 2.53 -2.51 11.08 0.00 -1.26 -0.63 120.51 130.72 1aiw n ALA 46 Ca -0.08 -2.62 -0.21 0.00 0.00 0.00 0.00 53.44 50.52 1aiw n ALA 46 Cb 0.58 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.16 2.39 -0.41 0.00 0.01 -1.26 -5.04 113.70 106.23 1aiw s SER 47 Ca 0.30 -0.77 -0.36 0.00 1.31 0.00 0.00 55.95 56.42 1aiw s SER 47 Cb 0.35 -0.12 -0.16 0.00 0.21 0.00 0.00 66.02 66.30 1aiw s SER 47 CO -0.09 -0.04 1.72 0.52 0.41 0.00 0.00 173.24 175.77 1aiw n VAL 48 N 0.68 0.00 -1.61 3.43 0.31 -1.26 -4.77 118.33 115.11 1aiw n VAL 48 Ca -0.16 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.71 1aiw n VAL 48 Cb 0.56 -0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 5.95 1.50 0.00 5.55 -0.02 -1.26 -0.89 135.00 145.83 1aiw n PRO 49 Ca 0.44 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1aiw n PRO 49 Cb -0.03 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.45 0.91 0.19 -1.23 0.00 -1.26 -4.55 105.19 100.71 1aiw n GLY 50 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1aiw n GLY 50 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1aiw h SER 51 N 0.00 0.78 0.00 1.61 0.87 -1.86 -3.44 113.55 111.51 1aiw h SER 51 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1aiw h SER 51 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1aiw h SER 51 CO 0.00 1.28 0.00 -0.67 -0.53 0.00 0.00 176.83 176.91 1aiw n ASP 52 N -4.10 0.00 -3.71 6.23 2.03 -0.07 -5.05 116.55 111.89 1aiw n ASP 52 Ca -0.08 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.17 1aiw n ASP 52 Cb 0.67 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.05 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1aiw s SER 53 N -1.06 -0.21 -1.42 1.67 0.01 -1.26 -4.94 113.70 106.49 1aiw s SER 53 Ca 0.00 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1aiw s SER 53 Cb 0.00 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1aiw s SER 53 CO 0.00 -1.31 0.00 -1.20 0.41 0.00 0.00 173.24 171.14 1aiw n SER 54 N -0.60 -4.99 -4.64 2.44 7.64 -1.26 -4.93 113.62 107.28 1aiw n SER 54 Ca -0.05 0.33 -0.25 0.00 1.01 0.00 0.00 58.87 59.92 1aiw n SER 54 Cb 0.59 -3.67 -0.08 0.00 -1.01 0.00 0.00 64.21 60.05 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 -2.37 2.73 -0.20 1.43 0.52 -1.26 -0.75 118.94 119.03 1aiw s TRP 55 Ca 0.00 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 1aiw s TRP 55 Cb 0.00 -1.26 0.09 0.00 -1.15 0.00 0.00 33.47 31.15 1aiw s TRP 55 CO 0.00 0.57 0.41 0.99 0.02 0.00 0.00 176.95 178.95 1aiw s THR 56 N -2.04 -0.65 0.37 2.01 2.01 -0.21 -4.90 115.64 112.22 1aiw s THR 56 Ca 0.29 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.19 1aiw s THR 56 Cb -0.08 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.68 1aiw s THR 56 CO 0.19 0.07 1.23 -1.58 -0.69 0.00 0.00 174.62 173.84 1aiw s GLN 57 N 2.61 4.19 0.00 4.92 0.74 -1.26 -0.60 119.66 130.26 1aiw s GLN 57 Ca -0.01 2.02 0.00 0.00 0.05 0.00 0.00 55.36 57.42 1aiw s GLN 57 Cb -0.12 -2.87 0.00 0.00 1.10 0.00 0.00 33.01 31.12 1aiw s GLN 57 CO -0.13 -0.26 0.10 1.33 -0.55 0.00 0.00 175.29 175.79 1aiw n VAL 58 N 0.43 0.00 -1.90 1.34 0.24 -0.02 -4.89 118.33 113.54 1aiw n VAL 58 Ca 0.02 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1aiw n VAL 58 Cb 0.44 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.47 -0.32 3.36 7.63 0.00 -1.17 -4.98 105.19 110.18 1aiw n GLY 59 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.39 -0.15 1.61 1.04 -1.26 -0.54 113.70 110.02 1aiw s SER 60 Ca 0.00 0.35 -0.20 0.00 0.48 0.00 0.00 55.95 56.58 1aiw s SER 60 Cb 0.00 0.41 -0.24 0.00 0.10 0.00 0.00 66.02 66.29 1aiw s SER 60 CO 0.00 -0.52 0.48 0.00 0.98 0.00 0.00 173.24 174.18