#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 5.95 0.45 1.96 -4.23 -1.26 -4.22 115.64 114.28 1aw0 s THR 2 Ca 0.00 -3.35 0.01 0.00 -1.18 0.00 0.00 61.69 57.18 1aw0 s THR 2 Cb 0.00 -4.61 -0.00 0.00 1.34 0.00 0.00 72.50 69.23 1aw0 s THR 2 CO 0.00 -1.20 0.66 -1.10 -0.54 0.00 0.00 174.62 172.44 1aw0 s GLN 3 N -1.07 3.02 0.00 3.99 1.11 -0.93 -4.94 119.66 120.83 1aw0 s GLN 3 Ca 0.31 -0.59 -0.00 0.00 0.01 0.00 0.00 55.36 55.08 1aw0 s GLN 3 Cb -0.10 -2.59 -0.00 0.00 -1.01 0.00 0.00 33.01 29.32 1aw0 s GLN 3 CO -0.08 -0.27 0.00 -2.00 0.01 0.00 0.00 175.29 172.95 1aw0 s GLU 4 N -4.53 0.06 0.03 2.91 2.12 -1.26 -1.10 118.70 116.93 1aw0 s GLU 4 Ca 0.49 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.75 1aw0 s GLU 4 Cb -0.10 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 1aw0 s GLU 4 CO 0.37 -0.01 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.93 1aw0 s THR 5 N -0.23 0.53 -0.21 -1.70 -1.32 -0.42 -5.00 115.64 107.29 1aw0 s THR 5 Ca -0.03 -0.77 -0.06 0.00 -1.21 0.00 0.00 61.69 59.62 1aw0 s THR 5 Cb -0.02 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1aw0 s THR 5 CO -0.00 -0.18 0.03 -0.69 -2.21 0.00 0.00 174.62 171.57 1aw0 s VAL 6 N -0.91 4.21 -0.17 5.08 1.01 0.35 -0.68 120.40 129.29 1aw0 s VAL 6 Ca -0.05 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1aw0 s VAL 6 Cb -0.07 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1aw0 s VAL 6 CO 0.00 0.41 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 1aw0 s ILE 7 N 1.08 1.98 0.21 2.22 1.01 -0.48 -0.98 121.20 126.24 1aw0 s ILE 7 Ca 0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1aw0 s ILE 7 Cb -0.14 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 1aw0 s ILE 7 CO 0.02 0.53 1.35 0.20 0.00 0.00 0.00 174.94 177.04 1aw0 s ASN 8 N 1.30 6.83 -0.24 3.58 0.01 0.89 -0.83 114.94 126.47 1aw0 s ASN 8 Ca 0.04 2.47 -0.01 0.00 -0.71 0.00 0.00 52.86 54.65 1aw0 s ASN 8 Cb -0.13 -2.61 0.07 0.00 0.41 0.00 0.00 41.25 38.99 1aw0 s ASN 8 CO -0.12 -0.58 0.04 -0.63 -1.51 0.00 0.00 177.10 174.30 1aw0 s ILE 9 N 0.11 0.87 -0.07 0.60 1.01 -0.39 -1.43 121.20 121.90 1aw0 s ILE 9 Ca 0.58 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1aw0 s ILE 9 Cb -0.38 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1aw0 s ILE 9 CO 0.39 -0.35 0.16 -0.62 0.00 0.00 0.00 174.94 174.52 1aw0 s ASP 10 N 1.67 6.39 0.00 3.58 2.15 -0.57 -4.18 116.67 125.71 1aw0 s ASP 10 Ca 0.02 0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1aw0 s ASP 10 Cb -0.18 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1aw0 s ASP 10 CO -0.14 0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 1aw0 n GLY 11 N 1.53 0.99 3.21 2.66 0.00 -1.26 -1.32 105.19 111.00 1aw0 n GLY 11 Ca -0.16 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aw0 n MET 12 N -2.02 2.84 -2.17 1.61 2.81 -1.26 -4.93 117.12 114.00 1aw0 n MET 12 Ca 0.00 -2.86 -0.39 0.00 -1.81 0.00 0.00 57.70 52.64 1aw0 n MET 12 Cb 0.00 -3.40 -0.03 0.00 -0.71 0.00 0.00 33.22 29.08 1aw0 n MET 12 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1aw0 s THR 13 N 4.36 3.46 0.12 2.03 -4.23 -1.26 -4.80 115.64 115.32 1aw0 s THR 13 Ca 0.52 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1aw0 s THR 13 Cb 0.08 -4.20 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1aw0 s THR 13 CO 0.02 -1.16 0.00 0.00 -0.54 0.00 0.00 174.62 172.94 1aw0 h ASN 15 N -0.31 0.00 -0.33 0.00 -1.07 -2.00 -1.58 115.58 110.30 1aw0 h ASN 15 Ca -0.03 0.00 0.07 0.00 0.07 0.00 0.00 56.30 56.40 1aw0 h ASN 15 Cb 0.30 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.49 1aw0 h ASN 15 CO 0.01 0.00 -0.07 0.28 0.07 0.00 0.00 177.43 177.73 1aw0 h SER 16 N 0.00 -0.27 -0.31 6.14 0.02 -1.96 0.12 113.55 117.30 1aw0 h SER 16 Ca 0.33 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.31 1aw0 h SER 16 Cb 1.62 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 64.34 1aw0 h SER 16 CO -0.00 -0.09 -0.06 0.00 -1.14 0.00 0.00 176.83 175.54 1aw0 h VAL 18 N 0.35 0.74 -0.41 0.00 2.07 -1.48 -0.83 116.25 116.70 1aw0 h VAL 18 Ca 0.08 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1aw0 h VAL 18 Cb 0.53 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1aw0 h VAL 18 CO 0.03 0.01 0.21 -0.61 0.02 0.00 0.00 177.57 177.22 1aw0 h GLN 19 N 0.03 0.58 0.23 1.57 4.15 -0.91 -0.55 115.11 120.22 1aw0 h GLN 19 Ca 0.14 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1aw0 h GLN 19 Cb 0.20 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1aw0 h GLN 19 CO -0.27 0.49 -0.17 0.77 -1.93 0.00 0.00 178.83 177.72 1aw0 h SER 20 N 0.52 -0.43 0.06 -0.69 0.02 -0.84 -0.90 113.55 111.30 1aw0 h SER 20 Ca 0.14 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1aw0 h SER 20 Cb 0.09 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 1aw0 h SER 20 CO -0.02 -0.26 -0.05 0.40 -1.14 0.00 0.00 176.83 175.76 1aw0 h ILE 21 N -0.40 0.90 -0.07 3.27 2.04 -1.10 -1.18 117.51 120.96 1aw0 h ILE 21 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1aw0 h ILE 21 Cb 0.35 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 1aw0 h ILE 21 CO -0.00 0.00 -0.48 -0.08 0.00 0.00 0.00 178.15 177.59 1aw0 h GLU 22 N -0.11 -0.56 0.77 2.37 4.57 -1.01 -0.85 114.58 119.77 1aw0 h GLU 22 Ca -0.00 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1aw0 h GLU 22 Cb 0.10 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1aw0 h GLU 22 CO -0.00 -0.37 -0.38 0.78 -1.18 0.00 0.00 179.01 177.86 1aw0 h GLY 23 N -0.58 -1.10 0.98 1.92 0.00 -1.07 -2.25 103.07 100.97 1aw0 h GLY 23 Ca 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1aw0 h GLY 23 CO -0.38 -0.40 -0.34 -2.08 0.00 0.00 0.00 176.54 173.34 1aw0 h VAL 24 N -1.05 0.31 -0.61 4.60 2.07 -1.16 -3.01 116.25 117.40 1aw0 h VAL 24 Ca -0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1aw0 h VAL 24 Cb 0.81 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1aw0 h VAL 24 CO 0.17 0.00 0.11 0.40 0.02 0.00 0.00 177.57 178.26 1aw0 h ILE 25 N -0.93 1.25 -0.86 4.57 1.08 -1.25 -1.89 117.51 119.48 1aw0 h ILE 25 Ca -0.09 -0.96 0.18 0.00 -0.39 0.00 0.00 64.86 63.60 1aw0 h ILE 25 Cb 0.72 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.07 1aw0 h ILE 25 CO 0.14 0.36 0.57 -1.28 -0.69 0.00 0.00 178.15 177.25 1aw0 h SER 26 N 0.92 0.45 0.13 1.72 0.87 -1.36 -1.63 113.55 114.65 1aw0 h SER 26 Ca 0.19 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1aw0 h SER 26 Cb 0.39 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1aw0 h SER 26 CO 0.01 0.20 -0.12 0.29 -0.53 0.00 0.00 176.83 176.68 1aw0 n LYS 27 N -4.52 1.20 -2.33 2.24 5.02 -0.72 -4.53 118.16 114.53 1aw0 n LYS 27 Ca 0.18 -0.67 -0.38 0.00 -2.02 0.00 0.00 58.31 55.42 1aw0 n LYS 27 Cb 0.61 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.26 3.98 0.19 1.97 -0.14 -0.61 -4.96 119.74 117.91 1aw0 s LYS 28 Ca 0.31 1.75 -0.31 0.00 -1.36 0.00 0.00 55.97 56.37 1aw0 s LYS 28 Cb 0.20 -2.57 -0.10 0.00 -1.68 0.00 0.00 37.83 33.68 1aw0 s LYS 28 CO 0.43 -0.35 1.56 -1.25 -0.76 0.00 0.00 175.35 174.97 1aw0 s PRO 29 N -2.46 4.21 0.00 -1.68 0.04 -1.26 -2.22 135.00 131.63 1aw0 s PRO 29 Ca 0.59 2.38 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1aw0 s PRO 29 Cb -0.28 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1aw0 s PRO 29 CO 0.35 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1aw0 n GLY 30 N 3.38 2.99 3.77 0.56 0.00 -1.26 -4.31 105.19 110.32 1aw0 n GLY 30 Ca 0.12 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.65 3.49 0.00 1.61 1.01 -0.94 -1.46 120.40 122.46 1aw0 s VAL 31 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1aw0 s VAL 31 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1aw0 s VAL 31 CO 0.00 0.13 0.00 0.29 0.00 0.00 0.00 175.10 175.52 1aw0 n LYS 32 N 0.30 0.00 -3.04 2.72 5.02 -0.32 -4.83 118.16 118.02 1aw0 n LYS 32 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1aw0 n LYS 32 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.82 6.35 -0.05 4.39 1.04 -1.25 -4.77 113.70 120.23 1aw0 s SER 33 Ca 0.00 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 1aw0 s SER 33 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1aw0 s SER 33 CO 0.00 -0.87 0.24 -0.51 0.98 0.00 0.00 173.24 173.09 1aw0 s ILE 34 N 3.06 5.33 -0.40 -1.02 2.07 -1.26 -1.53 121.20 127.44 1aw0 s ILE 34 Ca 0.25 0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.84 1aw0 s ILE 34 Cb -0.14 -3.53 0.12 0.00 0.13 0.00 0.00 42.46 39.04 1aw0 s ILE 34 CO 0.20 0.52 0.17 -0.13 -1.91 0.00 0.00 174.94 173.79 1aw0 s ARG 35 N -1.31 1.32 -0.69 3.50 0.52 -0.47 -4.98 118.95 116.84 1aw0 s ARG 35 Ca 0.21 -1.88 -0.21 0.00 -0.52 0.00 0.00 55.73 53.33 1aw0 s ARG 35 Cb -0.13 -2.63 0.09 0.00 0.52 0.00 0.00 34.95 32.79 1aw0 s ARG 35 CO 0.10 -1.06 0.95 0.08 0.02 0.00 0.00 175.30 175.39 1aw0 s VAL 36 N 0.65 4.47 -0.46 3.52 1.01 -1.26 -1.52 120.40 126.81 1aw0 s VAL 36 Ca 0.14 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 1aw0 s VAL 36 Cb -0.22 -4.67 0.03 0.00 0.00 0.00 0.00 36.38 31.52 1aw0 s VAL 36 CO -0.07 -1.41 0.74 -0.55 0.00 0.00 0.00 175.10 173.80 1aw0 s SER 37 N 3.67 6.36 0.15 3.32 0.15 0.00 -4.92 113.70 122.44 1aw0 s SER 37 Ca 0.22 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.48 1aw0 s SER 37 Cb -0.16 -2.36 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1aw0 s SER 37 CO 0.06 -0.89 1.67 0.25 1.20 0.00 0.00 173.24 175.53 1aw0 h LEU 38 N 10.02 0.75 -0.37 3.45 5.85 -1.95 -0.76 115.31 132.30 1aw0 h LEU 38 Ca -0.25 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.32 1aw0 h LEU 38 Cb 1.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 1aw0 h LEU 38 CO 0.95 0.77 -0.03 0.00 -0.34 0.00 0.00 178.44 179.78 1aw0 h ALA 39 N 1.01 0.31 -0.05 1.25 0.00 -1.95 -1.60 119.26 118.23 1aw0 h ALA 39 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1aw0 h ALA 39 Cb 0.29 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aw0 h ALA 39 CO -0.00 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 178.92 1aw0 n ASN 40 N -5.22 1.52 -3.85 0.00 4.13 -1.21 -4.97 115.26 105.66 1aw0 n ASN 40 Ca 0.02 -1.54 -0.27 0.00 1.68 0.00 0.00 54.58 54.47 1aw0 n ASN 40 Cb 0.20 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1aw0 n SER 41 N 0.19 -1.76 -3.80 6.41 7.64 -0.40 -4.92 113.62 116.98 1aw0 n SER 41 Ca 0.18 -0.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.98 1aw0 n SER 41 Cb 0.35 -3.26 -0.04 0.00 -1.01 0.00 0.00 64.21 60.25 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 -4.13 -0.23 -0.19 6.43 2.20 -0.56 -1.26 114.94 117.21 1aw0 s ASN 42 Ca 0.13 -0.58 0.01 0.00 -0.94 0.00 0.00 52.86 51.49 1aw0 s ASN 42 Cb -0.05 0.60 0.03 0.00 -2.00 0.00 0.00 41.25 39.83 1aw0 s ASN 42 CO 0.87 -1.10 -0.18 -0.83 -2.94 0.00 0.00 177.10 172.92 1aw0 s GLY 43 N -2.90 1.42 -0.56 0.45 0.00 -0.01 -0.82 107.32 104.89 1aw0 s GLY 43 Ca 0.12 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.38 1aw0 s GLY 43 CO 0.00 0.35 0.55 -1.59 0.00 0.00 0.00 173.10 172.42 1aw0 s THR 44 N 1.27 5.15 -0.27 0.90 2.01 -0.57 -1.38 115.64 122.75 1aw0 s THR 44 Ca 0.03 -1.44 -0.11 0.00 0.31 0.00 0.00 61.69 60.48 1aw0 s THR 44 Cb -0.14 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 1aw0 s THR 44 CO -0.12 -0.93 0.20 -0.69 -0.69 0.00 0.00 174.62 172.39 1aw0 s VAL 45 N 1.76 5.31 -0.12 3.82 1.01 0.14 -1.37 120.40 130.95 1aw0 s VAL 45 Ca 0.05 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 1aw0 s VAL 45 Cb -0.28 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1aw0 s VAL 45 CO 0.03 0.27 0.59 -0.70 0.00 0.00 0.00 175.10 175.29 1aw0 s GLU 46 N 1.58 4.34 0.23 2.72 2.12 -0.58 -1.30 118.70 127.80 1aw0 s GLU 46 Ca 0.08 0.63 -0.11 0.00 0.36 0.00 0.00 54.97 55.92 1aw0 s GLU 46 Cb -0.15 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 1aw0 s GLU 46 CO 0.09 0.02 0.42 1.52 -0.54 0.00 0.00 175.26 176.77 1aw0 s TYR 47 N 1.03 0.42 -0.33 5.30 1.13 -0.26 -1.17 117.35 123.47 1aw0 s TYR 47 Ca 0.30 -0.76 -0.09 0.00 -1.41 0.00 0.00 57.07 55.11 1aw0 s TYR 47 Cb -0.16 0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1aw0 s TYR 47 CO 0.13 -0.91 0.14 0.34 -2.51 0.00 0.00 175.55 172.74 1aw0 s ASP 48 N -3.02 5.45 0.42 -0.18 2.15 -0.54 -2.19 116.67 118.77 1aw0 s ASP 48 Ca 0.22 -0.78 0.22 0.00 0.43 0.00 0.00 52.55 52.65 1aw0 s ASP 48 Cb 0.01 -1.96 1.20 0.00 -0.30 0.00 0.00 42.92 41.87 1aw0 s ASP 48 CO 0.07 -0.26 1.76 -0.65 -0.17 0.00 0.00 175.17 175.92 1aw0 h PRO 49 N 8.32 0.29 -0.12 4.34 0.11 -1.73 -1.02 132.00 142.19 1aw0 h PRO 49 Ca -0.29 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1aw0 h PRO 49 Cb 1.12 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1aw0 h PRO 49 CO 0.62 0.19 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.44 1aw0 h LEU 50 N 0.30 0.16 0.00 2.35 3.38 -1.95 -3.31 115.31 116.25 1aw0 h LEU 50 Ca 0.61 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 58.30 1aw0 h LEU 50 Cb 1.72 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 1aw0 h LEU 50 CO -0.26 0.29 -1.93 0.18 0.09 0.00 0.00 178.44 176.81 1aw0 n LEU 51 N -4.33 0.40 -4.04 1.67 4.77 -0.59 -5.06 117.00 109.82 1aw0 n LEU 51 Ca -0.01 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1aw0 n LEU 51 Cb 0.23 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1aw0 n LEU 51 CO 0.37 0.39 0.16 0.28 -1.33 0.00 0.00 177.39 177.26 1aw0 s THR 52 N -2.33 0.00 0.10 -5.08 -1.32 -0.49 -4.73 115.64 101.79 1aw0 s THR 52 Ca -0.09 -1.51 -0.08 0.00 -1.21 0.00 0.00 61.69 58.80 1aw0 s THR 52 Cb 0.04 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.50 1aw0 s THR 52 CO 0.53 0.00 0.19 -0.94 -2.21 0.00 0.00 174.62 172.18 1aw0 s SER 53 N -3.15 0.14 0.29 8.08 1.04 -1.26 -3.78 113.70 115.06 1aw0 s SER 53 Ca 0.27 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1aw0 s SER 53 Cb -0.00 0.34 0.71 0.00 0.10 0.00 0.00 66.02 67.17 1aw0 s SER 53 CO 0.16 -0.74 1.76 -0.65 0.98 0.00 0.00 173.24 174.74 1aw0 h PRO 54 N 2.75 0.64 -0.35 4.02 0.11 -1.99 -0.78 132.00 136.39 1aw0 h PRO 54 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1aw0 h PRO 54 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1aw0 h PRO 54 CO 0.56 0.42 0.01 0.93 -0.21 0.00 0.00 178.00 179.72 1aw0 h GLU 55 N 0.66 0.62 -0.29 1.05 5.08 -1.98 -0.54 114.58 119.17 1aw0 h GLU 55 Ca 0.56 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1aw0 h GLU 55 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1aw0 h GLU 55 CO -0.41 0.72 0.15 1.15 -1.00 0.00 0.00 179.01 179.62 1aw0 h THR 56 N 0.43 1.14 -0.02 1.13 2.02 -1.75 0.03 112.91 115.89 1aw0 h THR 56 Ca 0.10 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1aw0 h THR 56 Cb 0.43 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1aw0 h THR 56 CO 0.02 0.14 0.01 -0.07 0.37 0.00 0.00 175.52 175.99 1aw0 h LEU 57 N 0.35 0.03 -0.74 2.58 3.38 -1.12 -0.53 115.31 119.27 1aw0 h LEU 57 Ca 0.10 -0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1aw0 h LEU 57 Cb 0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1aw0 h LEU 57 CO -0.01 0.11 0.30 -0.09 0.09 0.00 0.00 178.44 178.84 1aw0 h ARG 58 N -0.05 0.44 -0.35 1.13 2.43 -1.05 -1.35 114.38 115.58 1aw0 h ARG 58 Ca 0.01 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1aw0 h ARG 58 Cb 0.09 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1aw0 h ARG 58 CO -0.00 0.29 0.09 0.78 -1.51 0.00 0.00 179.97 179.62 1aw0 h GLY 59 N 0.45 0.43 0.93 2.80 0.00 -0.19 0.59 103.07 108.07 1aw0 h GLY 59 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1aw0 h GLY 59 CO -0.39 -0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.29 1aw0 h ALA 60 N 1.25 0.46 -0.41 3.60 0.00 -0.46 0.61 119.26 124.31 1aw0 h ALA 60 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1aw0 h ALA 60 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1aw0 h ALA 60 CO -0.20 0.06 0.21 0.82 0.00 0.00 0.00 179.25 180.15 1aw0 h ILE 61 N 0.43 1.17 -0.72 0.00 2.04 -1.08 -1.59 117.51 117.76 1aw0 h ILE 61 Ca 0.12 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1aw0 h ILE 61 Cb 0.19 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1aw0 h ILE 61 CO -0.01 0.18 0.39 -0.08 0.00 0.00 0.00 178.15 178.62 1aw0 h GLU 62 N 0.53 1.01 -0.59 2.37 4.81 -0.74 -2.34 114.58 119.62 1aw0 h GLU 62 Ca 0.14 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1aw0 h GLU 62 Cb 0.09 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1aw0 h GLU 62 CO -0.02 0.76 0.33 0.22 -0.73 0.00 0.00 179.01 179.57 1aw0 h ASP 63 N 0.99 0.73 -0.30 1.04 3.58 -0.57 -2.47 116.42 119.42 1aw0 h ASP 63 Ca 0.25 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.65 1aw0 h ASP 63 Cb 0.05 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1aw0 h ASP 63 CO -0.04 0.60 0.09 0.24 -2.88 0.00 0.00 179.24 177.25 1aw0 h MET 64 N 0.79 0.20 0.00 0.28 2.86 -1.11 -3.47 114.93 114.49 1aw0 h MET 64 Ca 0.21 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1aw0 h MET 64 Cb 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1aw0 h MET 64 CO -0.04 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.48 1aw0 n GLY 65 N -1.20 0.16 3.01 8.32 0.00 -0.90 -5.12 105.19 109.45 1aw0 n GLY 65 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 0.30 -0.99 1.61 0.08 -1.16 -5.02 117.98 112.80 1aw0 s PHE 66 Ca 0.00 -0.62 -0.23 0.00 0.12 0.00 0.00 56.93 56.20 1aw0 s PHE 66 Cb 0.00 -0.22 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 1aw0 s PHE 66 CO 0.00 -0.23 1.53 0.34 -0.10 0.00 0.00 175.22 176.76 1aw0 s ASP 67 N -1.75 6.26 -0.17 1.36 2.15 -0.43 -4.16 116.67 119.92 1aw0 s ASP 67 Ca -0.11 -1.30 -0.09 0.00 0.43 0.00 0.00 52.55 51.48 1aw0 s ASP 67 Cb -0.06 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1aw0 s ASP 67 CO -0.03 -1.73 0.14 0.00 -0.17 0.00 0.00 175.17 173.39 1aw0 s ALA 68 N 5.88 3.75 -0.06 3.66 0.00 -1.26 -1.51 121.76 132.22 1aw0 s ALA 68 Ca 0.50 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1aw0 s ALA 68 Cb -0.01 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 21.03 1aw0 s ALA 68 CO -0.08 0.33 0.34 0.99 0.00 0.00 0.00 175.76 177.34 1aw0 s THR 69 N -0.15 0.04 0.61 0.00 2.01 -0.51 -4.97 115.64 112.67 1aw0 s THR 69 Ca 0.11 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 1aw0 s THR 69 Cb -0.12 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1aw0 s THR 69 CO 0.01 -0.16 1.21 -0.76 -0.69 0.00 0.00 174.62 174.22 1aw0 s LEU 70 N -0.79 3.61 0.01 4.42 2.01 -1.26 -0.08 118.68 126.60 1aw0 s LEU 70 Ca -0.09 2.38 0.00 0.00 0.01 0.00 0.00 54.13 56.43 1aw0 s LEU 70 Cb -0.04 -4.60 0.00 0.00 0.01 0.00 0.00 46.19 41.56 1aw0 s LEU 70 CO 0.03 -1.69 0.00 -0.24 1.01 0.00 0.00 176.35 175.46 1aw0 n SER 71 N -1.77 0.09 0.00 2.29 2.88 -0.15 -4.57 113.62 112.39 1aw0 n SER 71 Ca 0.14 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1aw0 n SER 71 Cb 0.50 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14