#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 -0.72 3.58 3.03 0.00 -1.26 -5.06 105.19 104.76 1aiw n GLY 2 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 1aiw n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aiw s ASP 3 N -4.00 4.54 0.00 1.61 1.01 -1.26 -4.52 116.67 114.05 1aiw s ASP 3 Ca 0.00 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 51.86 1aiw s ASP 3 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1aiw s ASP 3 CO 0.00 -3.59 0.00 0.00 0.21 0.00 0.00 175.17 171.79 1aiw h ALA 5 N 0.00 1.00 -0.43 0.00 0.00 -1.96 -2.82 119.26 115.04 1aiw h ALA 5 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1aiw h ALA 5 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1aiw h ALA 5 CO 0.00 0.00 0.29 -0.91 0.00 0.00 0.00 179.25 178.63 1aiw h ASN 6 N 0.00 0.31 -1.42 0.00 2.35 -1.99 -3.43 115.58 111.40 1aiw h ASN 6 Ca 0.00 -0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1aiw h ASN 6 Cb 0.39 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 1aiw h ASN 6 CO 0.00 0.21 -0.43 0.00 -1.65 0.00 0.00 177.43 175.56 1aiw s ALA 7 N -5.34 3.87 0.16 -0.83 0.00 -1.06 -5.08 121.76 113.47 1aiw s ALA 7 Ca -0.07 -1.90 -0.32 0.00 0.00 0.00 0.00 51.96 49.67 1aiw s ALA 7 Cb 0.18 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 1aiw s ALA 7 CO 0.73 -0.22 1.58 0.54 0.00 0.00 0.00 175.76 178.38 1aiw s ASN 8 N -4.03 6.58 -0.17 0.00 4.22 -1.26 -4.80 114.94 115.48 1aiw s ASN 8 Ca 0.42 2.62 -0.06 0.00 -2.14 0.00 0.00 52.86 53.70 1aiw s ASN 8 Cb 0.01 -2.59 -0.04 0.00 1.28 0.00 0.00 41.25 39.91 1aiw s ASN 8 CO 0.24 -0.83 0.04 -0.69 -2.04 0.00 0.00 177.10 173.82 1aiw s VAL 9 N 1.20 4.63 0.11 3.54 1.01 -1.26 -0.33 120.40 129.30 1aiw s VAL 9 Ca 0.70 -0.10 -0.35 0.00 0.00 0.00 0.00 61.98 62.24 1aiw s VAL 9 Cb -0.44 -3.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.70 1aiw s VAL 9 CO 0.31 0.48 0.98 0.00 0.00 0.00 0.00 175.10 176.87 1aiw n TYR 10 N 3.40 0.62 -0.36 5.22 9.36 0.51 -0.17 117.16 135.74 1aiw n TYR 10 Ca -0.17 0.89 -0.14 0.00 3.32 0.00 0.00 57.90 61.80 1aiw n TYR 10 Cb 0.52 -2.13 0.10 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 1.51 1.75 -1.22 2.98 -0.04 -1.26 -4.97 135.00 133.74 1aiw n PRO 11 Ca 0.18 -1.75 -0.39 0.00 -0.04 0.00 0.00 63.50 61.50 1aiw n PRO 11 Cb 0.18 -1.68 -0.04 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 -0.39 3.61 -4.59 3.54 3.02 0.76 -4.89 115.26 116.32 1aiw n ASN 12 Ca 0.35 -2.65 -0.37 0.00 -0.03 0.00 0.00 54.58 51.88 1aiw n ASN 12 Cb 1.11 -1.26 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 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 6.36 0.45 -0.04 3.10 5.03 -1.26 -4.48 117.44 126.61 1aiw n TRP 13 Ca 0.51 0.41 -0.15 0.00 3.03 0.00 0.00 57.50 61.29 1aiw n TRP 13 Cb 0.34 -2.07 -0.08 0.00 -1.03 0.00 0.00 31.31 28.47 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 0.03 1.36 -2.16 -0.99 2.07 -1.82 -3.45 116.25 111.29 1aiw h VAL 14 Ca -0.48 -1.73 -0.50 0.00 0.82 0.00 0.00 66.70 64.82 1aiw h VAL 14 Cb 1.35 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 1aiw h VAL 14 CO 0.48 0.52 -0.51 -0.44 0.02 0.00 0.00 177.57 177.64 1aiw s SER 15 N -6.60 5.59 0.30 0.57 0.01 0.21 -5.01 113.70 108.77 1aiw s SER 15 Ca -0.13 -0.24 0.10 0.00 1.31 0.00 0.00 55.95 56.99 1aiw s SER 15 Cb 0.06 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.83 1aiw s SER 15 CO 0.82 -0.08 -0.06 -0.54 0.41 0.00 0.00 173.24 173.79 1aiw s LYS 16 N -3.88 2.00 0.49 12.44 1.02 -1.26 -0.54 119.74 130.01 1aiw s LYS 16 Ca 0.34 -1.68 0.14 0.00 0.02 0.00 0.00 55.97 54.79 1aiw s LYS 16 Cb -0.08 -1.93 1.15 0.00 -0.52 0.00 0.00 37.83 36.45 1aiw s LYS 16 CO 0.26 0.25 2.10 -0.44 -0.92 0.00 0.00 175.35 176.60 1aiw h ASP 17 N 1.98 0.08 -5.02 2.83 3.32 -1.89 -3.45 116.42 114.26 1aiw h ASP 17 Ca -0.42 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1aiw h ASP 17 Cb 1.25 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.64 1aiw h ASP 17 CO 0.63 0.09 0.07 -1.66 -1.72 0.00 0.00 179.24 176.66 1aiw s TRP 18 N -5.05 -0.43 -0.67 4.55 1.48 -1.26 -5.04 118.94 112.52 1aiw s TRP 18 Ca -0.05 0.38 -0.26 0.00 -1.06 0.00 0.00 56.10 55.11 1aiw s TRP 18 Cb 0.17 0.39 -0.23 0.00 -1.16 0.00 0.00 33.47 32.64 1aiw s TRP 18 CO 0.69 -0.70 1.86 0.00 -4.06 0.00 0.00 176.95 174.73 1aiw n ALA 19 N 0.14 1.73 0.00 2.67 0.00 -1.26 -0.92 120.51 122.88 1aiw n ALA 19 Ca -0.18 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1aiw n ALA 19 Cb 0.62 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.48 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 5.19 0.36 3.75 0.00 0.00 -1.26 -5.16 105.19 108.07 1aiw n GLY 20 Ca 0.46 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 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 1.64 0.52 -0.02 0.00 -0.09 -5.03 107.32 104.33 1aiw s GLY 21 Ca 0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 44.72 43.65 1aiw s GLY 21 CO 0.00 -0.13 1.05 1.20 0.00 0.00 0.00 173.10 175.22 1aiw s GLN 22 N -5.49 3.64 0.27 2.90 -0.21 -1.26 -4.85 119.66 114.66 1aiw s GLN 22 Ca 0.70 1.34 -0.28 0.00 0.02 0.00 0.00 55.36 57.13 1aiw s GLN 22 Cb -0.10 -2.07 -0.14 0.00 1.00 0.00 0.00 33.01 31.70 1aiw s GLN 22 CO 0.54 -0.56 0.96 -2.30 -2.12 0.00 0.00 175.29 171.82 1aiw n PRO 23 N -1.26 1.18 0.00 2.91 -0.02 -1.26 -4.12 135.00 132.43 1aiw n PRO 23 Ca 0.09 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1aiw n PRO 23 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1aiw n PRO 23 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1aiw n THR 24 N 0.28 0.00 0.00 3.45 -1.04 0.30 -4.85 114.28 112.42 1aiw n THR 24 Ca 0.11 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1aiw n THR 24 Cb 0.31 1.25 0.00 0.00 -1.82 0.00 0.00 70.33 70.07 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 -0.07 0.00 -4.68 -1.42 1.44 -0.76 -4.72 115.22 105.01 1aiw n HIS 25 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1aiw n HIS 25 Cb 0.06 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.06 1aiw n HIS 25 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1aiw s ASN 26 N 0.00 4.49 0.47 4.39 -0.87 0.28 -0.62 114.94 123.07 1aiw s ASN 26 Ca 0.00 -0.07 0.07 0.00 -1.57 0.00 0.00 52.86 51.29 1aiw s ASN 26 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 41.25 40.15 1aiw s ASN 26 CO 0.00 0.35 0.38 -1.61 -2.57 0.00 0.00 177.10 173.65 1aiw s GLU 27 N -0.84 2.38 0.10 -0.60 2.02 -1.25 -1.01 118.70 119.50 1aiw s GLU 27 Ca 0.13 -1.75 -0.35 0.00 0.02 0.00 0.00 54.97 53.01 1aiw s GLU 27 Cb -0.11 -2.24 -0.15 0.00 0.10 0.00 0.00 34.13 31.73 1aiw s GLU 27 CO 0.02 -0.37 1.48 0.00 0.02 0.00 0.00 175.26 176.41 1aiw n ALA 28 N -1.62 0.20 -0.21 5.21 0.00 -0.57 -0.73 120.51 122.80 1aiw n ALA 28 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1aiw n ALA 28 Cb 0.63 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 3.06 2.09 3.69 0.00 0.00 0.43 -4.94 105.19 109.53 1aiw n GLY 29 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.17 4.39 0.56 1.61 -0.21 0.09 -4.80 119.66 121.13 1aiw s GLN 30 Ca 0.00 1.02 -0.03 0.00 0.02 0.00 0.00 55.36 56.37 1aiw s GLN 30 Cb 0.00 -3.51 0.02 0.00 1.00 0.00 0.00 33.01 30.52 1aiw s GLN 30 CO 0.00 -0.13 0.83 -1.12 -2.12 0.00 0.00 175.29 172.75 1aiw s SER 31 N 0.99 5.49 -0.15 5.90 0.01 -1.26 -1.48 113.70 123.21 1aiw s SER 31 Ca 0.40 0.42 -0.31 0.00 1.31 0.00 0.00 55.95 57.77 1aiw s SER 31 Cb -0.18 -1.41 0.13 0.00 0.21 0.00 0.00 66.02 64.77 1aiw s SER 31 CO 0.17 -1.05 1.06 -0.51 0.41 0.00 0.00 173.24 173.32 1aiw s ILE 32 N -2.86 0.00 0.25 1.44 2.07 0.59 -4.65 121.20 118.03 1aiw s ILE 32 Ca 0.54 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.85 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 0.42 0.00 0.14 -0.69 -1.91 0.00 0.00 174.94 172.90 1aiw s VAL 33 N -1.81 4.21 0.15 4.00 1.01 0.55 -0.51 120.40 127.99 1aiw s VAL 33 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1aiw s VAL 33 Cb -0.01 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1aiw s VAL 33 CO -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 175.10 174.74 1aiw n TYR 34 N -1.01 -2.74 -3.90 5.22 9.36 -1.24 -0.36 117.16 122.48 1aiw n TYR 34 Ca -0.08 0.48 -0.33 0.00 3.32 0.00 0.00 57.90 61.30 1aiw n TYR 34 Cb 0.58 1.47 -0.13 0.00 -0.63 0.00 0.00 39.34 40.63 1aiw n TYR 34 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1aiw s LYS 35 N -1.34 1.87 0.00 2.98 -0.14 -1.26 -4.77 119.74 117.09 1aiw s LYS 35 Ca 0.00 -2.13 0.00 0.00 -1.36 0.00 0.00 55.97 52.48 1aiw s LYS 35 Cb 0.00 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1aiw s LYS 35 CO 0.00 -1.04 0.00 0.41 -0.76 0.00 0.00 175.35 173.96 1aiw n GLY 36 N 3.96 0.00 3.16 -3.33 0.00 -1.26 -4.82 105.19 102.90 1aiw n GLY 36 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.50 0.28 -0.19 1.61 0.01 -1.26 -0.44 114.94 114.45 1aiw s ASN 37 Ca 0.00 -0.84 -0.21 0.00 -0.71 0.00 0.00 52.86 51.10 1aiw s ASN 37 Cb 0.00 0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.92 1aiw s ASN 37 CO 0.00 -0.69 0.62 -0.22 -1.51 0.00 0.00 177.10 175.30 1aiw s LEU 38 N -2.90 4.16 0.15 0.60 2.96 0.69 -3.70 118.68 120.63 1aiw s LEU 38 Ca 0.08 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 54.93 1aiw s LEU 38 Cb 0.06 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1aiw s LEU 38 CO -0.09 -0.24 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.15 1aiw s TYR 39 N 1.77 2.15 0.02 5.38 2.02 0.33 -0.66 117.35 128.36 1aiw s TYR 39 Ca 0.29 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1aiw s TYR 39 Cb -0.16 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1aiw s TYR 39 CO 0.11 0.38 -0.09 0.99 -1.57 0.00 0.00 175.55 175.37 1aiw s THR 40 N -1.45 0.67 0.30 -0.71 2.01 0.27 -0.30 115.64 116.43 1aiw s THR 40 Ca 0.16 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.18 1aiw s THR 40 Cb -0.09 -0.64 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 1aiw s THR 40 CO 0.07 -0.10 0.82 0.00 -0.69 0.00 0.00 174.62 174.73 1aiw s ALA 41 N -0.80 3.28 -0.06 7.40 0.00 -0.55 -0.82 121.76 130.22 1aiw s ALA 41 Ca -0.02 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.30 1aiw s ALA 41 Cb -0.07 -2.96 -0.24 0.00 0.00 0.00 0.00 23.12 19.86 1aiw s ALA 41 CO 0.00 0.26 0.59 0.09 0.00 0.00 0.00 175.76 176.70 1aiw n ASN 42 N 0.25 1.13 0.00 0.00 3.02 0.20 -0.43 115.26 119.44 1aiw n ASN 42 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1aiw n ASN 42 Cb 0.52 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -3.13 0.00 -3.04 3.10 2.14 -1.26 -4.44 117.44 110.81 1aiw n TRP 43 Ca -0.20 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 58.96 1aiw n TRP 43 Cb 1.05 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.50 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 1.05 3.47 -0.21 -2.67 6.14 -1.26 -1.51 117.35 122.37 1aiw s TYR 44 Ca 0.00 1.14 -0.27 0.00 0.64 0.00 0.00 57.07 58.58 1aiw s TYR 44 Cb 0.00 -2.85 0.09 0.00 0.42 0.00 0.00 41.96 39.63 1aiw s TYR 44 CO 0.00 -0.07 0.85 -0.08 0.64 0.00 0.00 175.55 176.89 1aiw s THR 45 N 1.47 0.00 -0.28 4.34 -1.32 -0.18 -5.01 115.64 114.66 1aiw s THR 45 Ca 0.35 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.03 1aiw s THR 45 Cb -0.17 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.31 1aiw s THR 45 CO 0.14 0.00 1.09 0.00 -2.21 0.00 0.00 174.62 173.64 1aiw n ALA 46 N 1.89 2.82 -2.13 11.08 0.00 -1.26 -0.56 120.51 132.34 1aiw n ALA 46 Ca -0.14 -2.75 -0.09 0.00 0.00 0.00 0.00 53.44 50.46 1aiw n ALA 46 Cb 0.56 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.43 0.64 -0.42 0.00 0.15 -1.26 -5.00 113.70 104.37 1aiw s SER 47 Ca 0.26 -1.05 -0.21 0.00 0.70 0.00 0.00 55.95 55.64 1aiw s SER 47 Cb 0.37 0.19 -0.12 0.00 -1.71 0.00 0.00 66.02 64.76 1aiw s SER 47 CO -0.02 -0.60 1.37 0.52 1.20 0.00 0.00 173.24 175.71 1aiw n VAL 48 N 0.01 0.00 -1.61 4.45 0.31 -1.26 -4.83 118.33 115.40 1aiw n VAL 48 Ca -0.11 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.77 1aiw n VAL 48 Cb 0.62 -0.28 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 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 4.53 1.51 0.00 5.55 -0.02 -1.26 -1.61 135.00 143.69 1aiw n PRO 49 Ca 0.34 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1aiw n PRO 49 Cb -0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 1.41 0.86 0.12 -1.23 0.00 -1.26 -4.58 105.19 100.51 1aiw n GLY 50 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 0.41 0.00 1.61 0.02 -1.88 -3.44 113.55 110.27 1aiw h SER 51 Ca 0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1aiw h SER 51 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1aiw h SER 51 CO 0.00 1.13 0.00 0.47 -1.14 0.00 0.00 176.83 177.29 1aiw n ASP 52 N -4.33 0.00 -3.50 3.07 9.92 -0.64 -5.08 116.55 116.00 1aiw n ASP 52 Ca -0.10 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.13 1aiw n ASP 52 Cb 0.61 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.10 1aiw n ASP 52 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1aiw s SER 53 N -1.00 -0.06 -1.75 -2.24 0.15 -1.26 -4.96 113.70 102.59 1aiw s SER 53 Ca 0.00 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1aiw s SER 53 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1aiw s SER 53 CO 0.00 -0.92 0.00 -0.24 1.20 0.00 0.00 173.24 173.28 1aiw n SER 54 N -0.94 -5.02 -4.25 5.45 2.88 -1.26 -4.89 113.62 105.60 1aiw n SER 54 Ca -0.04 0.37 -0.28 0.00 -1.33 0.00 0.00 58.87 57.59 1aiw n SER 54 Cb 0.60 -4.01 -0.16 0.00 -0.75 0.00 0.00 64.21 59.89 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 -2.65 1.97 -0.06 0.66 0.52 -1.26 -0.62 118.94 117.50 1aiw s TRP 55 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.73 1aiw s TRP 55 Cb 0.00 -1.26 0.03 0.00 -1.15 0.00 0.00 33.47 31.09 1aiw s TRP 55 CO 0.00 -0.02 0.01 0.99 0.02 0.00 0.00 176.95 177.95 1aiw s THR 56 N -0.54 0.30 0.18 2.01 2.01 0.00 -4.81 115.64 114.79 1aiw s THR 56 Ca 0.08 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1aiw s THR 56 Cb -0.09 -0.46 -0.08 0.00 0.01 0.00 0.00 72.50 71.88 1aiw s THR 56 CO -0.01 0.24 1.28 -1.58 -0.69 0.00 0.00 174.62 173.86 1aiw s GLN 57 N 1.91 4.42 -0.01 4.92 0.74 -1.26 -0.56 119.66 129.81 1aiw s GLN 57 Ca 0.04 1.99 0.11 0.00 0.05 0.00 0.00 55.36 57.54 1aiw s GLN 57 Cb -0.12 -3.22 -0.14 0.00 1.10 0.00 0.00 33.01 30.62 1aiw s GLN 57 CO -0.04 -0.22 0.33 1.33 -0.55 0.00 0.00 175.29 176.14 1aiw n VAL 58 N 2.75 0.00 -3.60 1.34 0.24 0.16 -4.90 118.33 114.33 1aiw n VAL 58 Ca 0.06 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.34 62.07 1aiw n VAL 58 Cb 0.43 0.58 -0.02 0.00 -1.47 0.00 0.00 33.84 33.37 1aiw n VAL 58 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1aiw s GLY 59 N -2.69 -0.30 0.02 7.63 0.00 -1.06 -4.98 107.32 105.94 1aiw s GLY 59 Ca -0.00 1.53 0.04 0.00 0.00 0.00 0.00 44.72 46.29 1aiw s GLY 59 CO 0.44 0.50 -0.09 -0.45 0.00 0.00 0.00 173.10 173.51 1aiw s SER 60 N -2.24 4.46 -0.03 1.64 0.15 -1.26 -0.22 113.70 116.19 1aiw s SER 60 Ca 0.10 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1aiw s SER 60 Cb -0.01 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1aiw s SER 60 CO -0.04 0.27 -0.04 0.00 1.20 0.00 0.00 173.24 174.63