#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw0 s THR 2 N 0.00 0.29 0.02 1.96 -4.23 -1.26 -4.09 115.64 108.33 1aw0 s THR 2 Ca 0.00 0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1aw0 s THR 2 Cb 0.00 -0.41 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 1aw0 s THR 2 CO 0.00 0.20 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.14 1aw0 s GLN 3 N 1.42 0.36 0.15 3.99 -1.52 -0.23 -4.99 119.66 118.85 1aw0 s GLN 3 Ca -0.04 -0.61 0.05 0.00 -1.95 0.00 0.00 55.36 52.81 1aw0 s GLN 3 Cb -0.13 -0.03 -0.04 0.00 -0.22 0.00 0.00 33.01 32.59 1aw0 s GLN 3 CO -0.03 -0.01 0.09 -1.21 -0.25 0.00 0.00 175.29 173.88 1aw0 s GLU 4 N -1.39 2.78 -0.09 2.91 2.02 -1.26 -1.11 118.70 122.56 1aw0 s GLU 4 Ca -0.13 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.83 1aw0 s GLU 4 Cb -0.09 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.58 1aw0 s GLU 4 CO -0.01 0.49 0.35 -0.08 0.02 0.00 0.00 175.26 176.03 1aw0 s THR 5 N -1.68 0.02 -0.20 3.63 -1.32 -0.51 -5.00 115.64 110.58 1aw0 s THR 5 Ca 0.30 -0.16 -0.05 0.00 -1.21 0.00 0.00 61.69 60.57 1aw0 s THR 5 Cb -0.10 -0.54 -0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1aw0 s THR 5 CO 0.22 -0.09 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.85 1aw0 s VAL 6 N -0.32 3.93 -0.17 5.08 1.01 0.42 -1.15 120.40 129.19 1aw0 s VAL 6 Ca -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1aw0 s VAL 6 Cb -0.03 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1aw0 s VAL 6 CO 0.02 0.43 -0.17 -0.63 0.00 0.00 0.00 175.10 174.75 1aw0 s ILE 7 N 0.99 1.85 -0.01 2.22 1.01 -0.58 -1.05 121.20 125.64 1aw0 s ILE 7 Ca 0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1aw0 s ILE 7 Cb -0.14 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1aw0 s ILE 7 CO 0.02 0.48 1.27 0.20 0.00 0.00 0.00 174.94 176.90 1aw0 s ASN 8 N 1.37 6.99 -0.25 3.58 0.01 0.46 -0.72 114.94 126.37 1aw0 s ASN 8 Ca 0.04 1.97 0.03 0.00 -0.71 0.00 0.00 52.86 54.18 1aw0 s ASN 8 Cb -0.13 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.02 1aw0 s ASN 8 CO -0.12 -0.60 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.13 1aw0 s ILE 9 N 1.99 2.07 -0.02 0.60 1.01 -0.24 -1.13 121.20 125.48 1aw0 s ILE 9 Ca 0.59 -1.54 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1aw0 s ILE 9 Cb -0.28 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1aw0 s ILE 9 CO 0.25 -0.01 0.18 -0.62 0.00 0.00 0.00 174.94 174.74 1aw0 s ASP 10 N 1.15 6.38 0.00 3.58 2.15 -0.44 -4.24 116.67 125.25 1aw0 s ASP 10 Ca -0.08 0.37 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1aw0 s ASP 10 Cb -0.19 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1aw0 s ASP 10 CO -0.06 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.83 1aw0 n GLY 11 N 1.04 0.92 3.57 2.66 0.00 -1.26 -1.53 105.19 110.59 1aw0 n GLY 11 Ca -0.12 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aw0 s MET 12 N -0.68 2.90 -0.89 1.61 -1.94 -1.26 -4.90 119.30 114.14 1aw0 s MET 12 Ca 0.00 -1.18 -0.25 0.00 -1.71 0.00 0.00 55.69 52.55 1aw0 s MET 12 Cb 0.00 -5.28 0.01 0.00 2.01 0.00 0.00 34.83 31.57 1aw0 s MET 12 CO 0.00 -3.38 1.58 0.99 -0.01 0.00 0.00 175.02 174.21 1aw0 s THR 13 N 8.97 3.70 0.09 2.05 2.01 -1.26 -4.78 115.64 126.42 1aw0 s THR 13 Ca 0.64 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1aw0 s THR 13 Cb -0.01 -4.65 0.00 0.00 0.01 0.00 0.00 72.50 67.86 1aw0 s THR 13 CO 0.08 -1.56 0.00 0.00 -0.69 0.00 0.00 174.62 172.44 1aw0 h ASN 15 N -0.22 0.00 -0.15 0.00 2.35 -2.00 -1.19 115.58 114.37 1aw0 h ASN 15 Ca -0.03 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1aw0 h ASN 15 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 1aw0 h ASN 15 CO 0.01 0.00 -0.14 0.77 -1.65 0.00 0.00 177.43 176.42 1aw0 h SER 16 N 0.00 -0.45 -0.26 5.81 4.64 -1.96 -0.37 113.55 120.94 1aw0 h SER 16 Ca 0.16 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 1aw0 h SER 16 Cb 0.98 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1aw0 h SER 16 CO -0.00 -0.19 0.09 0.00 -0.87 0.00 0.00 176.83 175.86 1aw0 h VAL 18 N 0.26 0.42 -0.37 0.00 2.07 -1.43 -0.43 116.25 116.79 1aw0 h VAL 18 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1aw0 h VAL 18 Cb 0.23 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1aw0 h VAL 18 CO -0.00 0.00 0.22 -0.61 0.02 0.00 0.00 177.57 177.19 1aw0 h GLN 19 N -0.34 0.50 0.19 1.57 4.15 -1.02 -1.18 115.11 118.98 1aw0 h GLN 19 Ca 0.08 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1aw0 h GLN 19 Cb 0.46 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1aw0 h GLN 19 CO -0.27 0.38 -0.20 1.03 -1.93 0.00 0.00 178.83 177.84 1aw0 h SER 20 N 0.48 -0.54 0.23 -0.69 0.87 -0.80 -0.40 113.55 112.70 1aw0 h SER 20 Ca 0.13 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1aw0 h SER 20 Cb 0.01 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1aw0 h SER 20 CO -0.02 -0.30 -0.29 0.40 -0.53 0.00 0.00 176.83 176.09 1aw0 h ILE 21 N -0.43 0.38 -0.15 2.23 2.04 -1.02 -1.30 117.51 119.26 1aw0 h ILE 21 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1aw0 h ILE 21 Cb 0.41 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1aw0 h ILE 21 CO -0.06 0.00 -0.22 -0.08 0.00 0.00 0.00 178.15 177.79 1aw0 h GLU 22 N -0.58 -0.26 0.34 2.37 4.81 -1.06 -0.51 114.58 119.70 1aw0 h GLU 22 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1aw0 h GLU 22 Cb 0.55 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1aw0 h GLU 22 CO -0.10 -0.17 -0.16 0.78 -0.73 0.00 0.00 179.01 178.62 1aw0 h GLY 23 N -0.27 -0.48 0.92 1.92 0.00 -0.98 -1.02 103.07 103.16 1aw0 h GLY 23 Ca 0.11 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1aw0 h GLY 23 CO -0.31 -0.17 -0.16 -2.08 0.00 0.00 0.00 176.54 173.82 1aw0 h VAL 24 N -0.47 0.69 -0.58 4.60 2.07 -1.08 -3.04 116.25 118.45 1aw0 h VAL 24 Ca -0.05 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1aw0 h VAL 24 Cb 0.36 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1aw0 h VAL 24 CO 0.08 0.04 0.25 0.40 0.02 0.00 0.00 177.57 178.35 1aw0 h ILE 25 N -0.53 1.20 -0.97 4.57 1.08 -1.13 -1.63 117.51 120.10 1aw0 h ILE 25 Ca -0.05 -0.60 0.21 0.00 -0.39 0.00 0.00 64.86 64.03 1aw0 h ILE 25 Cb 0.40 0.49 -0.09 0.00 -3.07 0.00 0.00 36.82 34.56 1aw0 h ILE 25 CO 0.07 0.24 0.62 -1.28 -0.69 0.00 0.00 178.15 177.12 1aw0 h SER 26 N 0.82 0.57 0.19 1.72 0.87 -1.07 -1.62 113.55 115.03 1aw0 h SER 26 Ca 0.20 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1aw0 h SER 26 Cb 0.13 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1aw0 h SER 26 CO -0.02 0.20 -0.17 0.29 -0.53 0.00 0.00 176.83 176.60 1aw0 n LYS 27 N -4.62 1.03 -2.36 2.24 5.02 -0.62 -4.55 118.16 114.30 1aw0 n LYS 27 Ca 0.22 -0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 55.55 1aw0 n LYS 27 Cb 0.67 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aw0 s LYS 28 N -2.36 4.29 0.15 1.97 -0.14 -0.61 -4.95 119.74 118.08 1aw0 s LYS 28 Ca 0.29 1.84 -0.33 0.00 -1.36 0.00 0.00 55.97 56.40 1aw0 s LYS 28 Cb 0.20 -2.87 -0.16 0.00 -1.68 0.00 0.00 37.83 33.32 1aw0 s LYS 28 CO 0.46 -0.12 1.09 -2.30 -0.76 0.00 0.00 175.35 173.73 1aw0 n PRO 29 N 0.49 0.90 0.00 -1.68 -0.02 -1.26 -2.17 135.00 131.26 1aw0 n PRO 29 Ca 0.02 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1aw0 n PRO 29 Cb 0.46 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1aw0 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aw0 n GLY 30 N 1.95 2.37 3.75 -1.23 0.00 -1.26 -4.32 105.19 106.44 1aw0 n GLY 30 Ca 0.16 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1aw0 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw0 s VAL 31 N -0.62 2.79 0.00 1.61 1.01 -0.92 -1.56 120.40 122.69 1aw0 s VAL 31 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1aw0 s VAL 31 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1aw0 s VAL 31 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.50 1aw0 n LYS 32 N 2.23 0.00 -3.41 2.72 5.02 -0.40 -4.82 118.16 119.50 1aw0 n LYS 32 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 1aw0 n LYS 32 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 1aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1aw0 s SER 33 N 0.43 6.63 -0.14 4.39 1.04 -1.25 -4.92 113.70 119.88 1aw0 s SER 33 Ca 0.00 0.93 -0.12 0.00 0.48 0.00 0.00 55.95 57.23 1aw0 s SER 33 Cb 0.00 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 63.93 1aw0 s SER 33 CO 0.00 -0.07 0.38 -0.51 0.98 0.00 0.00 173.24 174.02 1aw0 s ILE 34 N -1.81 -0.01 -0.22 -1.02 2.07 -1.26 -1.13 121.20 117.82 1aw0 s ILE 34 Ca 0.47 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.72 1aw0 s ILE 34 Cb -0.11 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 42.00 1aw0 s ILE 34 CO 0.21 0.01 0.01 -0.13 -1.91 0.00 0.00 174.94 173.13 1aw0 s ARG 35 N 0.41 1.03 -0.35 3.50 1.81 -0.52 -5.02 118.95 119.82 1aw0 s ARG 35 Ca -0.02 -0.71 -0.15 0.00 -1.72 0.00 0.00 55.73 53.14 1aw0 s ARG 35 Cb -0.04 -2.30 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 1aw0 s ARG 35 CO -0.02 -0.66 0.33 0.08 -0.68 0.00 0.00 175.30 174.35 1aw0 s VAL 36 N 1.65 5.21 -0.25 3.52 1.01 -1.26 -1.30 120.40 128.98 1aw0 s VAL 36 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1aw0 s VAL 36 Cb -0.18 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1aw0 s VAL 36 CO -0.09 -0.10 0.16 -0.55 0.00 0.00 0.00 175.10 174.52 1aw0 s SER 37 N 1.73 6.00 0.05 3.32 0.15 -0.14 -4.99 113.70 119.82 1aw0 s SER 37 Ca 0.10 0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.62 1aw0 s SER 37 Cb -0.17 -2.09 -0.15 0.00 -1.71 0.00 0.00 66.02 61.90 1aw0 s SER 37 CO 0.11 0.03 1.29 0.25 1.20 0.00 0.00 173.24 176.12 1aw0 h LEU 38 N 7.76 0.58 -0.49 3.45 5.85 -1.96 -0.52 115.31 129.98 1aw0 h LEU 38 Ca -0.37 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 57.84 1aw0 h LEU 38 Cb 1.18 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1aw0 h LEU 38 CO 0.62 1.05 0.15 0.00 -0.34 0.00 0.00 178.44 179.93 1aw0 h ALA 39 N 0.54 0.59 -0.00 1.25 0.00 -1.96 -1.11 119.26 118.56 1aw0 h ALA 39 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aw0 h ALA 39 Cb 0.97 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1aw0 h ALA 39 CO 0.08 -0.24 -0.33 0.09 0.00 0.00 0.00 179.25 178.85 1aw0 n ASN 40 N -5.03 0.73 -3.64 0.00 3.02 -1.25 -4.98 115.26 104.10 1aw0 n ASN 40 Ca 0.05 -0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 53.79 1aw0 n ASN 40 Cb 0.21 0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1aw0 n SER 41 N -1.03 -3.33 -3.70 6.41 7.64 -0.33 -4.91 113.62 114.37 1aw0 n SER 41 Ca 0.10 -0.88 -0.10 0.00 1.01 0.00 0.00 58.87 58.99 1aw0 n SER 41 Cb 0.34 -3.93 -0.04 0.00 -1.01 0.00 0.00 64.21 59.57 1aw0 n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1aw0 s ASN 42 N -3.92 -0.27 -0.23 6.43 2.20 -0.49 -1.08 114.94 117.57 1aw0 s ASN 42 Ca 0.23 -0.42 -0.01 0.00 -0.94 0.00 0.00 52.86 51.72 1aw0 s ASN 42 Cb -0.07 0.56 0.02 0.00 -2.00 0.00 0.00 41.25 39.77 1aw0 s ASN 42 CO 0.82 -1.01 -0.09 -0.83 -2.94 0.00 0.00 177.10 173.05 1aw0 s GLY 43 N -2.85 1.58 -0.53 0.45 0.00 0.10 -0.97 107.32 105.10 1aw0 s GLY 43 Ca 0.08 -1.41 -0.16 0.00 0.00 0.00 0.00 44.72 43.22 1aw0 s GLY 43 CO -0.05 0.47 0.50 -1.59 0.00 0.00 0.00 173.10 172.43 1aw0 s THR 44 N 1.31 5.16 -0.14 0.90 2.01 -0.42 -1.52 115.64 122.94 1aw0 s THR 44 Ca 0.01 -1.30 -0.04 0.00 0.31 0.00 0.00 61.69 60.68 1aw0 s THR 44 Cb -0.16 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 1aw0 s THR 44 CO -0.06 -0.82 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.34 1aw0 s VAL 45 N 1.76 4.02 -0.23 3.82 1.01 -0.30 -1.44 120.40 129.04 1aw0 s VAL 45 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1aw0 s VAL 45 Cb -0.28 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1aw0 s VAL 45 CO 0.05 0.51 0.12 -0.70 0.00 0.00 0.00 175.10 175.07 1aw0 s GLU 46 N 0.14 3.96 0.15 2.72 -6.30 -0.29 -1.43 118.70 117.67 1aw0 s GLU 46 Ca -0.01 -0.33 -0.08 0.00 -2.50 0.00 0.00 54.97 52.05 1aw0 s GLU 46 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 34.13 30.58 1aw0 s GLU 46 CO 0.02 0.07 0.25 1.52 0.02 0.00 0.00 175.26 177.14 1aw0 s TYR 47 N 0.98 0.43 -0.34 5.30 1.13 -0.26 -1.27 117.35 123.32 1aw0 s TYR 47 Ca 0.06 -0.80 -0.15 0.00 -1.41 0.00 0.00 57.07 54.77 1aw0 s TYR 47 Cb -0.14 -0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1aw0 s TYR 47 CO 0.03 -0.68 0.34 0.34 -2.51 0.00 0.00 175.55 173.08 1aw0 s ASP 48 N -2.97 6.16 0.37 -0.18 -1.08 -0.60 -1.07 116.67 117.30 1aw0 s ASP 48 Ca 0.17 -0.22 0.17 0.00 -0.52 0.00 0.00 52.55 52.15 1aw0 s ASP 48 Cb 0.04 -2.19 1.11 0.00 -1.46 0.00 0.00 42.92 40.43 1aw0 s ASP 48 CO -0.01 -0.31 1.69 -0.65 0.52 0.00 0.00 175.17 176.42 1aw0 h PRO 49 N 8.45 0.34 0.00 4.34 0.11 -1.81 -1.38 132.00 142.04 1aw0 h PRO 49 Ca -0.30 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1aw0 h PRO 49 Cb 1.15 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 49 CO 0.68 0.22 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.39 1aw0 h LEU 50 N 0.35 0.00 0.00 2.35 3.38 -1.94 -3.28 115.31 116.17 1aw0 h LEU 50 Ca 0.70 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 58.25 1aw0 h LEU 50 Cb 1.71 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.39 1aw0 h LEU 50 CO -0.48 0.23 -2.48 0.18 0.09 0.00 0.00 178.44 175.97 1aw0 n LEU 51 N -4.00 2.55 -4.15 1.67 7.99 -0.62 -5.07 117.00 115.38 1aw0 n LEU 51 Ca -0.02 0.07 -0.15 0.00 -0.01 0.00 0.00 56.01 55.90 1aw0 n LEU 51 Cb 0.30 -0.88 -0.06 0.00 -0.11 0.00 0.00 43.42 42.67 1aw0 n LEU 51 CO 0.35 0.79 0.01 0.28 -1.51 0.00 0.00 177.39 177.31 1aw0 s THR 52 N -2.51 0.00 0.17 -5.08 -1.32 -0.63 -4.82 115.64 101.44 1aw0 s THR 52 Ca -0.36 -1.75 -0.12 0.00 -1.21 0.00 0.00 61.69 58.25 1aw0 s THR 52 Cb 0.11 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 1aw0 s THR 52 CO 0.56 0.00 0.35 -0.94 -2.21 0.00 0.00 174.62 172.38 1aw0 s SER 53 N -3.23 -0.05 0.20 8.08 1.04 -1.26 -3.76 113.70 114.72 1aw0 s SER 53 Ca 0.34 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1aw0 s SER 53 Cb 0.02 0.47 0.26 0.00 0.10 0.00 0.00 66.02 66.87 1aw0 s SER 53 CO 0.19 -0.93 1.71 -0.65 0.98 0.00 0.00 173.24 174.54 1aw0 h PRO 54 N 2.45 0.24 -0.47 4.02 0.11 -1.98 -0.83 132.00 135.54 1aw0 h PRO 54 Ca -0.31 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 1aw0 h PRO 54 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1aw0 h PRO 54 CO 0.46 0.16 0.09 1.05 -0.21 0.00 0.00 178.00 179.55 1aw0 h GLU 55 N 0.25 0.71 -0.24 1.05 4.11 -1.98 -0.31 114.58 118.16 1aw0 h GLU 55 Ca 0.29 -0.14 -0.05 0.00 0.07 0.00 0.00 59.36 59.53 1aw0 h GLU 55 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1aw0 h GLU 55 CO -0.38 0.66 -0.05 1.15 0.07 0.00 0.00 179.01 180.46 1aw0 h THR 56 N 0.69 1.28 -0.30 -1.06 2.02 -1.71 -0.67 112.91 113.15 1aw0 h THR 56 Ca 0.15 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1aw0 h THR 56 Cb 0.29 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1aw0 h THR 56 CO 0.00 0.32 0.15 -0.07 0.37 0.00 0.00 175.52 176.29 1aw0 h LEU 57 N 0.20 0.39 -0.55 2.58 3.38 -0.96 0.08 115.31 120.44 1aw0 h LEU 57 Ca 0.06 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1aw0 h LEU 57 Cb 0.50 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1aw0 h LEU 57 CO 0.02 0.40 0.10 -0.09 0.09 0.00 0.00 178.44 178.96 1aw0 h ARG 58 N 0.36 0.23 -0.59 1.13 2.43 -1.06 -1.04 114.38 115.84 1aw0 h ARG 58 Ca 0.10 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1aw0 h ARG 58 Cb 0.11 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1aw0 h ARG 58 CO -0.01 0.15 0.28 0.78 -1.51 0.00 0.00 179.97 179.66 1aw0 h GLY 59 N 0.24 0.85 0.84 2.80 0.00 -0.36 0.10 103.07 107.53 1aw0 h GLY 59 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1aw0 h GLY 59 CO -0.37 0.07 0.04 0.00 0.00 0.00 0.00 176.54 176.28 1aw0 h ALA 60 N 1.35 0.21 -0.76 3.60 0.00 -0.33 0.52 119.26 123.85 1aw0 h ALA 60 Ca 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1aw0 h ALA 60 Cb 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1aw0 h ALA 60 CO -0.22 -0.16 0.45 0.82 0.00 0.00 0.00 179.25 180.14 1aw0 h ILE 61 N 0.06 1.22 -0.71 0.00 2.04 -1.03 -0.76 117.51 118.32 1aw0 h ILE 61 Ca 0.05 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1aw0 h ILE 61 Cb 0.25 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1aw0 h ILE 61 CO 0.00 0.23 0.31 -0.08 0.00 0.00 0.00 178.15 178.61 1aw0 h GLU 62 N 1.04 1.05 -0.67 2.37 4.81 -0.84 -1.46 114.58 120.89 1aw0 h GLU 62 Ca 0.27 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1aw0 h GLU 62 Cb -0.03 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1aw0 h GLU 62 CO -0.05 0.86 0.30 0.22 -0.73 0.00 0.00 179.01 179.61 1aw0 h ASP 63 N 1.01 0.89 -0.37 1.04 3.58 -0.36 -2.50 116.42 119.72 1aw0 h ASP 63 Ca 0.24 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1aw0 h ASP 63 Cb 0.18 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1aw0 h ASP 63 CO -0.02 0.79 0.20 0.24 -2.88 0.00 0.00 179.24 177.56 1aw0 h MET 64 N 0.93 0.40 0.00 0.28 2.86 -0.93 -3.47 114.93 114.99 1aw0 h MET 64 Ca 0.23 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1aw0 h MET 64 Cb 0.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1aw0 h MET 64 CO -0.03 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.62 1aw0 n GLY 65 N -1.20 0.17 2.95 8.32 0.00 -0.58 -5.11 105.19 109.74 1aw0 n GLY 65 Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1aw0 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aw0 s PHE 66 N 0.00 0.16 -0.91 1.61 0.08 -1.03 -5.01 117.98 112.88 1aw0 s PHE 66 Ca 0.00 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.48 1aw0 s PHE 66 Cb 0.00 -0.12 0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1aw0 s PHE 66 CO 0.00 -0.13 1.61 0.34 -0.10 0.00 0.00 175.22 176.94 1aw0 s ASP 67 N -0.95 5.95 -0.18 1.36 2.15 -0.58 -3.85 116.67 120.56 1aw0 s ASP 67 Ca -0.10 -0.92 -0.10 0.00 0.43 0.00 0.00 52.55 51.85 1aw0 s ASP 67 Cb -0.07 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1aw0 s ASP 67 CO -0.01 -1.99 0.15 0.00 -0.17 0.00 0.00 175.17 173.15 1aw0 s ALA 68 N 6.93 3.71 -0.06 3.66 0.00 -1.26 -1.32 121.76 133.42 1aw0 s ALA 68 Ca 0.53 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1aw0 s ALA 68 Cb -0.04 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.94 1aw0 s ALA 68 CO -0.01 0.23 0.14 0.99 0.00 0.00 0.00 175.76 177.11 1aw0 s THR 69 N 0.12 -0.03 0.12 0.00 2.01 -0.28 -4.97 115.64 112.61 1aw0 s THR 69 Ca 0.10 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 1aw0 s THR 69 Cb -0.11 -0.22 -0.09 0.00 0.01 0.00 0.00 72.50 72.08 1aw0 s THR 69 CO -0.00 0.04 1.62 -0.76 -0.69 0.00 0.00 174.62 174.84 1aw0 s LEU 70 N 0.73 4.37 -0.26 4.42 1.43 -1.26 -0.40 118.68 127.71 1aw0 s LEU 70 Ca -0.06 2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.47 1aw0 s LEU 70 Cb -0.07 -3.58 -0.12 0.00 0.03 0.00 0.00 46.19 42.45 1aw0 s LEU 70 CO -0.04 -0.87 -0.28 -0.24 0.23 0.00 0.00 176.35 175.16 1aw0 n SER 71 N 4.75 1.94 0.00 2.29 2.88 -0.21 -4.80 113.62 120.46 1aw0 n SER 71 Ca 0.15 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1aw0 n SER 71 Cb 0.39 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14