#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 0.04 0.24 1.96 -4.23 -1.26 -4.30 115.64 108.08 1aw0 s THR 2 Ca 0.00 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1aw0 s THR 2 Cb 0.00 -0.07 -0.05 0.00 1.34 0.00 0.00 72.50 73.71 1aw0 s THR 2 CO 0.00 0.04 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.91 1aw0 s GLN 3 N 0.29 1.42 0.01 3.99 -1.52 0.01 -4.96 119.66 118.91 1aw0 s GLN 3 Ca -0.02 -1.67 0.02 0.00 -1.95 0.00 0.00 55.36 51.74 1aw0 s GLN 3 Cb -0.04 -1.12 -0.04 0.00 -0.22 0.00 0.00 33.01 31.59 1aw0 s GLN 3 CO -0.01 0.12 -0.02 -2.00 -0.25 0.00 0.00 175.29 173.13 1aw0 s GLU 4 N -3.68 2.68 -0.03 2.91 2.12 -1.26 -1.01 118.70 120.43 1aw0 s GLU 4 Ca 0.26 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1aw0 s GLU 4 Cb 0.01 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.81 1aw0 s GLU 4 CO 0.09 0.61 -0.05 -0.08 -0.54 0.00 0.00 175.26 175.29 1aw0 s THR 5 N -1.08 0.49 -0.43 -1.70 -1.32 -0.37 -5.01 115.64 106.22 1aw0 s THR 5 Ca 0.19 -0.16 -0.15 0.00 -1.21 0.00 0.00 61.69 60.36 1aw0 s THR 5 Cb -0.11 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.44 1aw0 s THR 5 CO 0.10 0.18 0.34 -0.69 -2.21 0.00 0.00 174.62 172.34 1aw0 s VAL 6 N 0.51 5.25 -0.27 5.08 1.01 -1.26 -1.28 120.40 129.43 1aw0 s VAL 6 Ca -0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1aw0 s VAL 6 Cb -0.10 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1aw0 s VAL 6 CO -0.00 -0.41 0.21 -0.63 0.00 0.00 0.00 175.10 174.27 1aw0 s ILE 7 N 1.68 5.30 -0.47 2.22 1.01 -0.24 -1.85 121.20 128.85 1aw0 s ILE 7 Ca 0.05 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 1aw0 s ILE 7 Cb -0.21 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1aw0 s ILE 7 CO 0.09 0.25 1.02 0.20 0.00 0.00 0.00 174.94 176.50 1aw0 s ASN 8 N 1.67 6.55 -0.36 3.58 0.01 0.27 -0.59 114.94 126.06 1aw0 s ASN 8 Ca 0.08 0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.43 1aw0 s ASN 8 Cb -0.16 -2.49 0.07 0.00 0.41 0.00 0.00 41.25 39.08 1aw0 s ASN 8 CO 0.10 -1.15 0.13 -0.63 -1.51 0.00 0.00 177.10 174.04 1aw0 s ILE 9 N 4.08 3.46 -0.02 0.60 1.01 -0.63 -1.58 121.20 128.12 1aw0 s ILE 9 Ca 0.42 -1.53 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1aw0 s ILE 9 Cb -0.09 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1aw0 s ILE 9 CO 0.29 -0.36 0.19 -0.62 0.00 0.00 0.00 174.94 174.44 1aw0 s ASP 10 N 1.60 6.39 0.00 3.58 2.15 -0.55 -4.24 116.67 125.60 1aw0 s ASP 10 Ca 0.01 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.38 1aw0 s ASP 10 Cb -0.21 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1aw0 s ASP 10 CO -0.01 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1aw0 n GLY 11 N 1.05 0.43 0.49 2.66 0.00 -1.26 -1.01 105.19 107.55 1aw0 n GLY 11 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1aw0 n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aw0 h MET 12 N 3.53 -0.96 0.00 1.61 2.86 -1.94 -3.45 114.93 116.58 1aw0 h MET 12 Ca 0.00 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1aw0 h MET 12 Cb 0.00 0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1aw0 h MET 12 CO 0.00 -0.64 0.00 2.41 1.06 0.00 0.00 176.91 179.74 1aw0 n THR 13 N -5.43 0.00 -4.14 2.22 -1.04 -1.26 -4.65 114.28 99.98 1aw0 n THR 13 Ca -0.12 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.63 1aw0 n THR 13 Cb 0.45 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.90 1aw0 n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aw0 h ASN 15 N 2.60 0.00 -0.34 0.00 4.21 -2.00 -2.10 115.58 117.96 1aw0 h ASN 15 Ca -0.47 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.08 1aw0 h ASN 15 Cb 1.20 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.36 1aw0 h ASN 15 CO 0.61 0.10 0.09 0.28 -1.29 0.00 0.00 177.43 177.22 1aw0 h SER 16 N 0.00 0.08 -0.40 5.81 0.02 -1.95 -0.98 113.55 116.13 1aw0 h SER 16 Ca -0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1aw0 h SER 16 Cb 0.21 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1aw0 h SER 16 CO 0.01 0.08 0.15 0.00 -1.14 0.00 0.00 176.83 175.94 1aw0 h VAL 18 N 0.49 0.45 -0.39 0.00 2.07 -1.23 -0.17 116.25 117.48 1aw0 h VAL 18 Ca 0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1aw0 h VAL 18 Cb 0.20 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1aw0 h VAL 18 CO -0.01 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.34 1aw0 h GLN 19 N -0.39 0.40 0.09 1.57 4.20 -1.10 -1.54 115.11 118.34 1aw0 h GLN 19 Ca 0.05 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1aw0 h GLN 19 Cb 0.46 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1aw0 h GLN 19 CO -0.19 0.26 -0.16 1.03 -0.67 0.00 0.00 178.83 179.10 1aw0 h SER 20 N 0.41 -0.44 0.45 1.46 0.87 -0.89 -1.12 113.55 114.29 1aw0 h SER 20 Ca 0.16 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1aw0 h SER 20 Cb 0.06 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1aw0 h SER 20 CO -0.11 -0.23 -0.45 0.40 -0.53 0.00 0.00 176.83 175.91 1aw0 h ILE 21 N -0.31 0.00 -0.90 2.23 2.04 -0.83 -1.61 117.51 118.12 1aw0 h ILE 21 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1aw0 h ILE 21 Cb 0.33 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1aw0 h ILE 21 CO -0.09 0.00 0.59 1.05 0.00 0.00 0.00 178.15 179.70 1aw0 h GLU 22 N -0.90 1.14 0.41 2.37 -0.00 -1.27 -0.71 114.58 115.62 1aw0 h GLU 22 Ca -0.06 -0.07 -0.01 0.00 -0.00 0.00 0.00 59.36 59.22 1aw0 h GLU 22 Cb 0.78 -0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 1aw0 h GLU 22 CO -0.05 0.76 -0.32 0.78 -0.00 0.00 0.00 179.01 180.17 1aw0 h GLY 23 N 1.18 -0.79 0.94 1.06 0.00 -1.07 -1.10 103.07 103.30 1aw0 h GLY 23 Ca 0.35 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 1aw0 h GLY 23 CO -0.10 -0.29 -0.12 -2.08 0.00 0.00 0.00 176.54 173.96 1aw0 h VAL 24 N -0.72 0.79 -0.64 4.60 2.07 -1.06 -3.20 116.25 118.08 1aw0 h VAL 24 Ca -0.04 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1aw0 h VAL 24 Cb 0.62 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1aw0 h VAL 24 CO -0.01 0.03 0.27 0.40 0.02 0.00 0.00 177.57 178.28 1aw0 h ILE 25 N -0.38 1.22 -0.54 4.57 1.08 -1.11 -1.63 117.51 120.72 1aw0 h ILE 25 Ca -0.03 -0.67 0.16 0.00 -0.39 0.00 0.00 64.86 63.92 1aw0 h ILE 25 Cb 0.29 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1aw0 h ILE 25 CO 0.05 0.27 0.40 0.28 -0.69 0.00 0.00 178.15 178.47 1aw0 h SER 26 N 0.92 0.00 0.34 1.72 0.02 -1.19 -1.48 113.55 113.87 1aw0 h SER 26 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1aw0 h SER 26 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1aw0 h SER 26 CO -0.02 0.00 -0.30 0.29 -1.14 0.00 0.00 176.83 175.66 1aw0 n LYS 27 N -4.30 0.59 -2.40 3.45 5.02 -0.62 -4.80 118.16 115.11 1aw0 n LYS 27 Ca 0.10 -0.33 -0.40 0.00 -2.02 0.00 0.00 58.31 55.66 1aw0 n LYS 27 Cb 0.63 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.64 4.58 0.19 1.97 -0.14 -0.56 -4.96 119.74 118.17 1aw0 s LYS 28 Ca 0.21 1.89 -0.31 0.00 -1.36 0.00 0.00 55.97 56.40 1aw0 s LYS 28 Cb 0.19 -3.17 -0.10 0.00 -1.68 0.00 0.00 37.83 33.07 1aw0 s LYS 28 CO 0.56 0.12 1.51 -1.25 -0.76 0.00 0.00 175.35 175.53 1aw0 s PRO 29 N -1.45 4.24 0.00 -1.68 0.04 -1.26 -2.36 135.00 132.53 1aw0 s PRO 29 Ca 0.46 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1aw0 s PRO 29 Cb -0.33 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1aw0 s PRO 29 CO 0.43 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1aw0 n GLY 30 N 3.24 2.85 3.73 0.56 0.00 -1.26 -4.23 105.19 110.08 1aw0 n GLY 30 Ca 0.11 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.46 2.89 0.00 1.61 1.01 -0.99 -1.39 120.40 122.07 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 0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.46 1aw0 n LYS 32 N 3.44 0.00 -2.91 2.72 4.76 -0.20 -4.90 118.16 121.07 1aw0 n LYS 32 Ca 0.11 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 1aw0 n LYS 32 Cb 0.40 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1aw0 s SER 33 N -0.59 6.23 -0.06 4.39 1.04 -1.25 -4.94 113.70 118.52 1aw0 s SER 33 Ca 0.00 0.72 -0.15 0.00 0.48 0.00 0.00 55.95 57.00 1aw0 s SER 33 Cb 0.00 -2.12 0.03 0.00 0.10 0.00 0.00 66.02 64.03 1aw0 s SER 33 CO 0.00 -0.50 0.35 -0.51 0.98 0.00 0.00 173.24 173.56 1aw0 s ILE 34 N -2.59 0.03 -0.19 -1.02 2.07 -1.26 -1.11 121.20 117.14 1aw0 s ILE 34 Ca 0.45 -0.29 -0.04 0.00 -1.41 0.00 0.00 60.65 59.36 1aw0 s ILE 34 Cb -0.10 -0.60 0.06 0.00 0.13 0.00 0.00 42.46 41.95 1aw0 s ILE 34 CO 0.41 -0.16 0.06 -0.60 -1.91 0.00 0.00 174.94 172.75 1aw0 s ARG 35 N -0.80 0.39 -0.50 3.50 3.00 -0.61 -5.02 118.95 118.92 1aw0 s ARG 35 Ca -0.09 -0.28 -0.16 0.00 -1.00 0.00 0.00 55.73 54.19 1aw0 s ARG 35 Cb -0.04 -1.98 0.09 0.00 0.00 0.00 0.00 34.95 33.01 1aw0 s ARG 35 CO 0.03 -0.66 0.48 0.08 0.00 0.00 0.00 175.30 175.23 1aw0 s VAL 36 N 1.98 5.14 -0.27 7.11 1.01 -1.26 -1.05 120.40 133.05 1aw0 s VAL 36 Ca 0.01 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1aw0 s VAL 36 Cb -0.17 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 1aw0 s VAL 36 CO -0.09 -0.72 0.63 -0.55 0.00 0.00 0.00 175.10 174.37 1aw0 s SER 37 N 2.91 6.55 0.06 3.32 0.15 -0.22 -4.95 113.70 121.53 1aw0 s SER 37 Ca 0.06 0.61 -0.18 0.00 0.70 0.00 0.00 55.95 57.14 1aw0 s SER 37 Cb -0.25 -2.34 -0.13 0.00 -1.71 0.00 0.00 66.02 61.60 1aw0 s SER 37 CO 0.07 -0.42 1.35 0.25 1.20 0.00 0.00 173.24 175.69 1aw0 h LEU 38 N 9.03 0.58 -0.43 3.45 5.85 -1.96 -0.13 115.31 131.70 1aw0 h LEU 38 Ca -0.27 -0.51 0.08 0.00 0.84 0.00 0.00 57.88 58.02 1aw0 h LEU 38 Cb 1.12 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1aw0 h LEU 38 CO 0.79 0.97 0.00 0.00 -0.34 0.00 0.00 178.44 179.86 1aw0 h ALA 39 N 0.62 0.39 -0.01 1.25 0.00 -1.96 -1.23 119.26 118.32 1aw0 h ALA 39 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1aw0 h ALA 39 Cb 0.84 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1aw0 h ALA 39 CO 0.06 -0.39 -0.28 0.09 0.00 0.00 0.00 179.25 178.74 1aw0 n ASN 40 N -5.20 0.85 -3.67 0.00 3.02 -1.24 -4.98 115.26 104.03 1aw0 n ASN 40 Ca 0.03 -0.72 -0.26 0.00 -0.03 0.00 0.00 54.58 53.60 1aw0 n ASN 40 Cb 0.22 0.12 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 -0.84 -3.62 -3.62 6.41 7.64 -0.18 -4.93 113.62 114.48 1aw0 n SER 41 Ca 0.11 -0.92 -0.15 0.00 1.01 0.00 0.00 58.87 58.92 1aw0 n SER 41 Cb 0.34 -3.76 -0.07 0.00 -1.01 0.00 0.00 64.21 59.71 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 -3.84 -0.43 -0.33 6.43 2.20 -0.53 -1.60 114.94 116.85 1aw0 s ASN 42 Ca 0.28 0.35 -0.09 0.00 -0.94 0.00 0.00 52.86 52.45 1aw0 s ASN 42 Cb -0.09 0.45 0.01 0.00 -2.00 0.00 0.00 41.25 39.62 1aw0 s ASN 42 CO 0.84 -0.58 0.15 -0.83 -2.94 0.00 0.00 177.10 173.73 1aw0 s GLY 43 N -1.45 1.86 -0.63 0.45 0.00 0.24 -1.05 107.32 106.73 1aw0 s GLY 43 Ca -0.10 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 1aw0 s GLY 43 CO 0.05 0.73 0.62 -1.59 0.00 0.00 0.00 173.10 172.91 1aw0 s THR 44 N 1.56 5.23 -0.20 0.90 2.01 -0.22 -1.08 115.64 123.84 1aw0 s THR 44 Ca 0.03 -1.67 -0.07 0.00 0.31 0.00 0.00 61.69 60.29 1aw0 s THR 44 Cb -0.18 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 1aw0 s THR 44 CO 0.05 -0.97 0.06 -0.69 -0.69 0.00 0.00 174.62 172.38 1aw0 s VAL 45 N 1.45 4.61 -0.11 3.82 1.01 -0.41 -1.57 120.40 129.20 1aw0 s VAL 45 Ca 0.09 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1aw0 s VAL 45 Cb -0.23 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1aw0 s VAL 45 CO 0.00 0.42 0.44 -0.70 0.00 0.00 0.00 175.10 175.26 1aw0 s GLU 46 N 0.76 4.29 0.16 2.72 2.56 -0.26 -1.23 118.70 127.69 1aw0 s GLU 46 Ca 0.03 0.39 -0.12 0.00 0.00 0.00 0.00 54.97 55.28 1aw0 s GLU 46 Cb -0.13 -3.41 0.00 0.00 2.00 0.00 0.00 34.13 32.59 1aw0 s GLU 46 CO 0.02 0.23 0.34 1.52 -0.56 0.00 0.00 175.26 176.81 1aw0 s TYR 47 N 0.42 0.20 -0.34 5.30 1.13 -0.18 -1.03 117.35 122.84 1aw0 s TYR 47 Ca 0.24 -0.56 -0.12 0.00 -1.41 0.00 0.00 57.07 55.22 1aw0 s TYR 47 Cb -0.15 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1aw0 s TYR 47 CO 0.10 -0.75 0.22 0.34 -2.51 0.00 0.00 175.55 172.95 1aw0 s ASP 48 N -2.92 5.92 0.43 -0.18 -1.08 -0.48 -0.81 116.67 117.55 1aw0 s ASP 48 Ca 0.13 -0.55 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 1aw0 s ASP 48 Cb 0.02 -2.10 1.27 0.00 -1.46 0.00 0.00 42.92 40.66 1aw0 s ASP 48 CO -0.03 -0.26 1.72 -0.65 0.52 0.00 0.00 175.17 176.47 1aw0 h PRO 49 N 8.47 0.23 0.00 4.34 0.11 -1.75 -1.13 132.00 142.27 1aw0 h PRO 49 Ca -0.31 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 1aw0 h PRO 49 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1aw0 h PRO 49 CO 0.64 0.15 -0.35 -0.07 -0.21 0.00 0.00 178.00 178.16 1aw0 h LEU 50 N 0.24 0.00 0.00 2.35 3.38 -1.94 -3.33 115.31 116.01 1aw0 h LEU 50 Ca 0.67 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 58.20 1aw0 h LEU 50 Cb 1.98 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.66 1aw0 h LEU 50 CO -0.29 0.35 -2.51 0.18 0.09 0.00 0.00 178.44 176.25 1aw0 n LEU 51 N -4.08 2.27 0.00 1.67 7.99 -0.56 -5.07 117.00 119.22 1aw0 n LEU 51 Ca -0.02 0.20 -0.19 0.00 -0.01 0.00 0.00 56.01 55.99 1aw0 n LEU 51 Cb 0.39 -0.85 -0.07 0.00 -0.11 0.00 0.00 43.42 42.78 1aw0 n LEU 51 CO 0.38 0.69 -0.10 1.07 -1.51 0.00 0.00 177.39 177.92 1aw0 n THR 52 N -3.95 0.00 -3.85 -5.08 5.66 -0.54 -4.86 114.28 101.66 1aw0 n THR 52 Ca -0.52 -2.24 -0.09 0.00 -3.05 0.00 0.00 64.05 58.15 1aw0 n THR 52 Cb 0.92 1.07 -0.07 0.00 -1.55 0.00 0.00 70.33 70.70 1aw0 n THR 52 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1aw0 s SER 53 N -3.17 0.04 0.17 1.09 1.04 -1.26 -3.78 113.70 107.83 1aw0 s SER 53 Ca 0.34 -0.66 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 1aw0 s SER 53 Cb 0.02 0.39 0.11 0.00 0.10 0.00 0.00 66.02 66.64 1aw0 s SER 53 CO 0.24 -0.80 1.66 -0.65 0.98 0.00 0.00 173.24 174.67 1aw0 h PRO 54 N 2.62 -0.00 -0.18 4.02 0.11 -1.98 -1.37 132.00 135.21 1aw0 h PRO 54 Ca -0.33 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1aw0 h PRO 54 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1aw0 h PRO 54 CO 0.52 -0.00 -0.26 1.05 -0.21 0.00 0.00 178.00 179.10 1aw0 h GLU 55 N -0.00 0.34 -0.09 1.05 -0.00 -1.98 -0.01 114.58 113.89 1aw0 h GLU 55 Ca 0.21 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.36 59.43 1aw0 h GLU 55 Cb 0.31 -0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.04 1aw0 h GLU 55 CO -0.44 0.58 0.02 1.15 -0.00 0.00 0.00 179.01 180.32 1aw0 h THR 56 N 0.30 1.20 -0.27 -1.06 2.02 -1.85 -0.52 112.91 112.74 1aw0 h THR 56 Ca 0.05 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1aw0 h THR 56 Cb 0.63 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1aw0 h THR 56 CO 0.05 0.18 0.14 -0.07 0.37 0.00 0.00 175.52 176.18 1aw0 h LEU 57 N -0.08 0.34 -0.56 2.58 3.38 -1.00 0.21 115.31 120.19 1aw0 h LEU 57 Ca 0.03 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1aw0 h LEU 57 Cb 0.26 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1aw0 h LEU 57 CO 0.00 0.34 0.17 -0.09 0.09 0.00 0.00 178.44 178.96 1aw0 h ARG 58 N 0.31 0.32 -0.78 1.13 2.43 -1.00 -1.32 114.38 115.48 1aw0 h ARG 58 Ca 0.09 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1aw0 h ARG 58 Cb 0.08 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 1aw0 h ARG 58 CO -0.01 0.21 0.46 0.78 -1.51 0.00 0.00 179.97 179.90 1aw0 h GLY 59 N 0.33 1.16 0.90 2.80 0.00 -0.54 -0.74 103.07 106.98 1aw0 h GLY 59 Ca 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1aw0 h GLY 59 CO -0.31 0.22 0.09 0.00 0.00 0.00 0.00 176.54 176.54 1aw0 h ALA 60 N 1.38 0.30 -0.56 3.60 0.00 0.05 0.87 119.26 124.90 1aw0 h ALA 60 Ca 0.34 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1aw0 h ALA 60 Cb 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1aw0 h ALA 60 CO -0.18 -0.11 0.34 0.82 0.00 0.00 0.00 179.25 180.13 1aw0 h ILE 61 N 0.22 1.06 -0.81 0.00 1.08 -1.08 -1.15 117.51 116.82 1aw0 h ILE 61 Ca 0.08 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1aw0 h ILE 61 Cb 0.18 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1aw0 h ILE 61 CO -0.01 0.12 0.43 -0.08 -0.69 0.00 0.00 178.15 177.92 1aw0 h GLU 62 N 0.67 1.14 -0.47 2.37 4.57 -0.82 -1.03 114.58 121.00 1aw0 h GLU 62 Ca 0.23 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1aw0 h GLU 62 Cb 0.03 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1aw0 h GLU 62 CO -0.10 0.84 0.12 0.22 -1.18 0.00 0.00 179.01 178.91 1aw0 h ASP 63 N 1.14 0.72 -0.87 1.04 3.58 -0.41 -2.61 116.42 119.01 1aw0 h ASP 63 Ca 0.28 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.54 1aw0 h ASP 63 Cb 0.05 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 40.86 1aw0 h ASP 63 CO -0.04 0.76 0.56 0.24 -2.88 0.00 0.00 179.24 177.88 1aw0 h MET 64 N 0.64 1.06 0.00 0.28 2.86 -0.82 -3.47 114.93 115.48 1aw0 h MET 64 Ca 0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1aw0 h MET 64 Cb 0.33 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1aw0 h MET 64 CO 0.00 0.70 0.00 0.41 1.06 0.00 0.00 176.91 179.08 1aw0 n GLY 65 N -1.33 0.47 2.94 8.32 0.00 -0.43 -5.11 105.19 110.04 1aw0 n GLY 65 Ca 0.11 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.13 -0.92 1.61 0.08 -1.08 -4.98 117.98 112.83 1aw0 s PHE 66 Ca 0.00 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.54 1aw0 s PHE 66 Cb 0.00 -0.10 -0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1aw0 s PHE 66 CO 0.00 -0.11 1.73 -0.51 -0.10 0.00 0.00 175.22 176.23 1aw0 s ASP 67 N -0.80 5.69 -0.22 1.36 1.01 -0.18 -3.83 116.67 119.70 1aw0 s ASP 67 Ca -0.09 -0.88 -0.10 0.00 0.71 0.00 0.00 52.55 52.19 1aw0 s ASP 67 Cb -0.05 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1aw0 s ASP 67 CO -0.00 -2.23 0.15 0.00 0.21 0.00 0.00 175.17 173.29 1aw0 s ALA 68 N 7.98 3.65 -0.08 5.23 0.00 -1.26 -1.48 121.76 135.79 1aw0 s ALA 68 Ca 0.60 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1aw0 s ALA 68 Cb -0.05 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.86 1aw0 s ALA 68 CO -0.02 -0.00 0.19 0.99 0.00 0.00 0.00 175.76 176.91 1aw0 s THR 69 N 0.69 -0.04 0.82 0.00 2.01 -0.62 -4.94 115.64 113.55 1aw0 s THR 69 Ca 0.08 0.15 -0.12 0.00 0.31 0.00 0.00 61.69 62.12 1aw0 s THR 69 Cb -0.12 -0.29 0.09 0.00 0.01 0.00 0.00 72.50 72.18 1aw0 s THR 69 CO 0.01 0.06 1.14 -0.76 -0.69 0.00 0.00 174.62 174.39 1aw0 s LEU 70 N 1.10 3.03 -1.31 4.42 1.43 -1.26 -0.57 118.68 125.52 1aw0 s LEU 70 Ca -0.08 2.11 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 1aw0 s LEU 70 Cb -0.10 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 1aw0 s LEU 70 CO -0.06 -2.54 2.33 -1.54 0.23 0.00 0.00 176.35 174.77 1aw0 n SER 71 N -3.60 4.84 0.00 2.29 3.41 -0.77 -4.75 113.62 115.04 1aw0 n SER 71 Ca 0.11 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1aw0 n SER 71 Cb 0.52 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21