#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 0.13 0.07 1.96 -4.23 -1.26 -4.37 115.64 107.95 1aw0 s THR 2 Ca 0.00 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1aw0 s THR 2 Cb 0.00 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 1aw0 s THR 2 CO 0.00 -0.61 0.08 -1.10 -0.54 0.00 0.00 174.62 172.46 1aw0 s GLN 3 N -2.00 0.74 0.02 3.99 -1.52 -0.24 -4.95 119.66 115.69 1aw0 s GLN 3 Ca -0.11 -1.09 0.09 0.00 -1.95 0.00 0.00 55.36 52.29 1aw0 s GLN 3 Cb -0.06 0.28 -0.03 0.00 -0.22 0.00 0.00 33.01 32.98 1aw0 s GLN 3 CO -0.03 -0.19 -0.26 -2.00 -0.25 0.00 0.00 175.29 172.56 1aw0 s GLU 4 N -3.89 1.92 -0.00 2.91 2.12 -1.26 -0.97 118.70 119.52 1aw0 s GLU 4 Ca 0.06 -1.04 0.02 0.00 0.36 0.00 0.00 54.97 54.37 1aw0 s GLU 4 Cb 0.06 -2.00 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 1aw0 s GLU 4 CO -0.10 0.53 -0.06 -0.08 -0.54 0.00 0.00 175.26 175.01 1aw0 s THR 5 N -0.73 0.48 -0.37 -1.70 -1.32 -0.44 -5.01 115.64 106.55 1aw0 s THR 5 Ca 0.11 -0.32 -0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1aw0 s THR 5 Cb -0.10 -0.42 0.02 0.00 -1.51 0.00 0.00 72.50 70.49 1aw0 s THR 5 CO 0.01 0.09 0.21 -0.69 -2.21 0.00 0.00 174.62 172.04 1aw0 s VAL 6 N -0.23 4.71 -0.25 5.08 1.01 -1.26 -1.21 120.40 128.25 1aw0 s VAL 6 Ca 0.01 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 1aw0 s VAL 6 Cb -0.03 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1aw0 s VAL 6 CO -0.00 -0.19 0.18 -0.63 0.00 0.00 0.00 175.10 174.46 1aw0 s ILE 7 N 1.59 5.34 -0.43 2.22 1.01 -0.34 -1.68 121.20 128.90 1aw0 s ILE 7 Ca 0.03 0.22 -0.27 0.00 0.00 0.00 0.00 60.65 60.63 1aw0 s ILE 7 Cb -0.19 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1aw0 s ILE 7 CO 0.07 0.32 1.03 0.20 0.00 0.00 0.00 174.94 176.55 1aw0 s ASN 8 N 1.21 6.65 -0.32 3.58 0.01 0.29 -0.66 114.94 125.70 1aw0 s ASN 8 Ca 0.08 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 1aw0 s ASN 8 Cb -0.14 -2.50 0.07 0.00 0.41 0.00 0.00 41.25 39.09 1aw0 s ASN 8 CO 0.06 -1.06 0.02 -0.63 -1.51 0.00 0.00 177.10 173.98 1aw0 s ILE 9 N 3.95 2.74 0.09 0.60 1.01 -0.57 -1.40 121.20 127.62 1aw0 s ILE 9 Ca 0.42 -1.73 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1aw0 s ILE 9 Cb -0.10 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1aw0 s ILE 9 CO 0.25 -0.28 0.24 -1.81 0.00 0.00 0.00 174.94 173.34 1aw0 s ASP 10 N 1.26 6.36 0.00 3.58 1.01 -0.60 -4.08 116.67 124.19 1aw0 s ASP 10 Ca -0.01 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1aw0 s ASP 10 Cb -0.20 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.78 1aw0 s ASP 10 CO -0.04 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.08 1aw0 n GLY 11 N 0.01 0.86 3.58 0.21 0.00 -1.26 -1.57 105.19 107.01 1aw0 n GLY 11 Ca -0.06 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.69 3.70 -0.59 1.61 -1.94 -1.26 -4.93 119.30 115.20 1aw0 s MET 12 Ca 0.00 -1.76 -0.26 0.00 -1.71 0.00 0.00 55.69 51.96 1aw0 s MET 12 Cb 0.00 -5.47 -0.06 0.00 2.01 0.00 0.00 34.83 31.31 1aw0 s MET 12 CO 0.00 -2.54 2.21 0.99 -0.01 0.00 0.00 175.02 175.67 1aw0 s THR 13 N 5.45 3.14 0.22 2.05 2.01 -1.26 -4.74 115.64 122.50 1aw0 s THR 13 Ca 0.56 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1aw0 s THR 13 Cb 0.03 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1aw0 s THR 13 CO 0.07 -0.35 0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1aw0 n ASN 15 N -3.29 3.59 0.10 0.00 5.15 -1.26 -3.16 115.26 116.39 1aw0 n ASN 15 Ca -0.02 -2.78 0.00 0.00 -0.60 0.00 0.00 54.58 51.18 1aw0 n ASN 15 Cb 0.30 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 1aw0 n ASN 15 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1aw0 n SER 16 N 8.96 -1.62 -0.12 1.20 7.64 -1.26 -4.73 113.62 123.69 1aw0 n SER 16 Ca 0.49 0.38 -0.06 0.00 1.01 0.00 0.00 58.87 60.68 1aw0 n SER 16 Cb 0.43 1.76 0.02 0.00 -1.01 0.00 0.00 64.21 65.40 1aw0 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aw0 h VAL 18 N 0.36 0.42 -0.14 0.00 2.07 -1.87 -0.73 116.25 116.35 1aw0 h VAL 18 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1aw0 h VAL 18 Cb 0.10 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1aw0 h VAL 18 CO -0.14 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.07 1aw0 h GLN 19 N -0.08 0.21 -0.16 1.57 4.20 -1.75 -1.31 115.11 117.78 1aw0 h GLN 19 Ca 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1aw0 h GLN 19 Cb 0.42 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1aw0 h GLN 19 CO -0.52 0.29 0.09 0.66 -0.67 0.00 0.00 178.83 178.68 1aw0 h SER 20 N 0.09 0.19 0.37 1.46 4.64 -0.90 -0.42 113.55 118.97 1aw0 h SER 20 Ca 0.05 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1aw0 h SER 20 Cb 0.15 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1aw0 h SER 20 CO -0.00 0.20 -0.48 0.40 -0.87 0.00 0.00 176.83 176.08 1aw0 h ILE 21 N 0.17 0.07 -0.35 0.95 2.04 -1.11 -1.43 117.51 117.85 1aw0 h ILE 21 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 1aw0 h ILE 21 Cb 0.05 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 1aw0 h ILE 21 CO -0.01 0.00 0.01 -0.08 0.00 0.00 0.00 178.15 178.07 1aw0 h GLU 22 N -0.88 0.11 -0.03 2.37 4.81 -1.13 -0.54 114.58 119.28 1aw0 h GLU 22 Ca -0.03 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1aw0 h GLU 22 Cb 0.80 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1aw0 h GLU 22 CO -0.13 0.07 -0.19 0.78 -0.73 0.00 0.00 179.01 178.82 1aw0 h GLY 23 N 0.12 -0.24 0.62 1.92 0.00 -0.95 -1.17 103.07 103.36 1aw0 h GLY 23 Ca 0.17 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 1aw0 h GLY 23 CO -0.28 -0.18 -0.15 -2.08 0.00 0.00 0.00 176.54 173.85 1aw0 h VAL 24 N -0.29 0.64 -0.59 4.60 2.07 -0.92 -3.30 116.25 118.46 1aw0 h VAL 24 Ca 0.07 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1aw0 h VAL 24 Cb 0.39 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1aw0 h VAL 24 CO -0.20 0.11 0.26 0.40 0.02 0.00 0.00 177.57 178.16 1aw0 h ILE 25 N -0.82 1.20 -0.54 4.57 5.03 -1.12 -1.98 117.51 123.85 1aw0 h ILE 25 Ca -0.04 -0.60 0.16 0.00 -0.12 0.00 0.00 64.86 64.26 1aw0 h ILE 25 Cb 0.52 0.48 -0.02 0.00 -3.03 0.00 0.00 36.82 34.76 1aw0 h ILE 25 CO 0.07 0.24 0.40 0.77 -0.68 0.00 0.00 178.15 178.96 1aw0 h SER 26 N 0.83 0.00 0.41 1.72 4.64 -1.28 -1.40 113.55 118.47 1aw0 h SER 26 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1aw0 h SER 26 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1aw0 h SER 26 CO -0.02 0.00 -0.38 0.29 -0.87 0.00 0.00 176.83 175.85 1aw0 n LYS 27 N -4.32 0.34 -2.30 4.77 5.02 -0.75 -4.75 118.16 116.17 1aw0 n LYS 27 Ca 0.10 -0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 1aw0 n LYS 27 Cb 0.63 -1.50 -0.03 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 -2.79 4.25 0.17 1.97 -0.14 -0.53 -4.96 119.74 117.71 1aw0 s LYS 28 Ca 0.17 1.90 -0.31 0.00 -1.36 0.00 0.00 55.97 56.37 1aw0 s LYS 28 Cb 0.18 -2.87 -0.10 0.00 -1.68 0.00 0.00 37.83 33.37 1aw0 s LYS 28 CO 0.62 -0.17 1.52 -1.25 -0.76 0.00 0.00 175.35 175.31 1aw0 s PRO 29 N -2.01 4.24 0.00 -1.68 0.04 -1.26 -2.39 135.00 131.93 1aw0 s PRO 29 Ca 0.53 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1aw0 s PRO 29 Cb -0.33 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1aw0 s PRO 29 CO 0.42 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1aw0 n GLY 30 N 3.44 2.53 3.76 0.56 0.00 -1.26 -4.47 105.19 109.75 1aw0 n GLY 30 Ca 0.12 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.12 3.31 0.00 1.61 1.01 -1.01 -0.99 120.40 122.21 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 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1aw0 s VAL 31 CO 0.00 0.28 0.00 0.29 0.00 0.00 0.00 175.10 175.67 1aw0 n LYS 32 N 1.44 0.00 -3.22 2.72 4.76 -0.18 -4.89 118.16 118.79 1aw0 n LYS 32 Ca 0.01 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.15 1aw0 n LYS 32 Cb 0.44 0.00 -0.04 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 -0.13 6.50 -0.15 4.39 1.04 -1.24 -4.95 113.70 119.16 1aw0 s SER 33 Ca 0.00 0.87 -0.08 0.00 0.48 0.00 0.00 55.95 57.22 1aw0 s SER 33 Cb 0.00 -2.21 0.06 0.00 0.10 0.00 0.00 66.02 63.97 1aw0 s SER 33 CO 0.00 -0.23 0.37 -0.51 0.98 0.00 0.00 173.24 173.85 1aw0 s ILE 34 N -2.11 -0.04 -0.30 -1.02 2.07 -1.26 -0.91 121.20 117.63 1aw0 s ILE 34 Ca 0.47 0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.85 1aw0 s ILE 34 Cb -0.11 -0.55 0.08 0.00 0.13 0.00 0.00 42.46 42.01 1aw0 s ILE 34 CO 0.29 0.04 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.21 1aw0 s ARG 35 N 1.39 1.79 -0.25 3.50 1.81 -0.64 -5.00 118.95 121.54 1aw0 s ARG 35 Ca -0.09 -1.56 -0.13 0.00 -1.72 0.00 0.00 55.73 52.23 1aw0 s ARG 35 Cb -0.09 -2.98 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 1aw0 s ARG 35 CO -0.12 -0.76 0.28 0.08 -0.68 0.00 0.00 175.30 174.11 1aw0 s VAL 36 N 1.05 5.26 -0.16 3.52 1.01 -1.26 -1.18 120.40 128.63 1aw0 s VAL 36 Ca 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1aw0 s VAL 36 Cb -0.19 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1aw0 s VAL 36 CO -0.07 0.25 -0.05 -0.55 0.00 0.00 0.00 175.10 174.68 1aw0 s SER 37 N 1.38 4.63 0.00 3.32 0.15 -0.29 -4.99 113.70 117.91 1aw0 s SER 37 Ca 0.12 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.33 1aw0 s SER 37 Cb -0.15 -1.76 -0.17 0.00 -1.71 0.00 0.00 66.02 62.23 1aw0 s SER 37 CO 0.08 0.14 1.25 0.25 1.20 0.00 0.00 173.24 176.16 1aw0 h LEU 38 N 6.95 -0.26 -0.51 3.45 5.85 -1.95 -1.52 115.31 127.32 1aw0 h LEU 38 Ca -0.32 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.26 1aw0 h LEU 38 Cb 1.19 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 1aw0 h LEU 38 CO 0.61 0.11 0.10 0.00 -0.34 0.00 0.00 178.44 178.93 1aw0 h ALA 39 N -0.02 0.57 -0.00 1.25 0.00 -1.97 -1.22 119.26 117.87 1aw0 h ALA 39 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw0 h ALA 39 Cb 0.47 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1aw0 h ALA 39 CO 0.05 -0.31 -0.37 0.09 0.00 0.00 0.00 179.25 178.72 1aw0 n ASN 40 N -5.11 0.64 -3.68 0.00 3.02 -1.25 -4.98 115.26 103.89 1aw0 n ASN 40 Ca 0.06 -0.44 -0.27 0.00 -0.03 0.00 0.00 54.58 53.90 1aw0 n ASN 40 Cb 0.25 0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 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 -1.19 -3.77 -3.72 6.41 7.64 -0.46 -4.91 113.62 113.61 1aw0 n SER 41 Ca 0.08 -0.94 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 1aw0 n SER 41 Cb 0.34 -3.67 -0.04 0.00 -1.01 0.00 0.00 64.21 59.83 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 -3.80 -0.26 -0.23 6.43 2.20 -0.97 -1.52 114.94 116.80 1aw0 s ASN 42 Ca 0.30 -0.46 0.02 0.00 -0.94 0.00 0.00 52.86 51.78 1aw0 s ASN 42 Cb -0.10 0.56 0.05 0.00 -2.00 0.00 0.00 41.25 39.76 1aw0 s ASN 42 CO 0.84 -1.02 -0.14 -0.83 -2.94 0.00 0.00 177.10 173.02 1aw0 s GLY 43 N -2.86 1.57 -0.71 0.45 0.00 0.17 -1.14 107.32 104.80 1aw0 s GLY 43 Ca 0.08 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.06 1aw0 s GLY 43 CO -0.04 0.50 0.69 -1.59 0.00 0.00 0.00 173.10 172.66 1aw0 s THR 44 N 1.17 5.32 -0.24 0.90 2.01 -0.33 -1.20 115.64 123.27 1aw0 s THR 44 Ca -0.04 -1.90 -0.10 0.00 0.31 0.00 0.00 61.69 59.96 1aw0 s THR 44 Cb -0.18 -4.45 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 1aw0 s THR 44 CO -0.08 -1.02 0.15 -0.69 -0.69 0.00 0.00 174.62 172.29 1aw0 s VAL 45 N 1.13 5.18 -0.16 3.82 1.01 -0.35 -1.62 120.40 129.40 1aw0 s VAL 45 Ca 0.13 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 1aw0 s VAL 45 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1aw0 s VAL 45 CO -0.03 0.33 0.35 -0.70 0.00 0.00 0.00 175.10 175.05 1aw0 s GLU 46 N 1.21 4.25 0.30 2.72 -6.30 -0.09 -1.33 118.70 119.46 1aw0 s GLU 46 Ca 0.07 0.17 -0.08 0.00 -2.50 0.00 0.00 54.97 52.63 1aw0 s GLU 46 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 34.13 30.54 1aw0 s GLU 46 CO 0.05 0.16 0.48 1.52 0.02 0.00 0.00 175.26 177.50 1aw0 s TYR 47 N 0.69 0.68 -0.34 5.30 1.13 -0.14 -1.01 117.35 123.66 1aw0 s TYR 47 Ca 0.19 -1.00 -0.07 0.00 -1.41 0.00 0.00 57.07 54.77 1aw0 s TYR 47 Cb -0.14 0.09 0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1aw0 s TYR 47 CO 0.06 -1.08 0.13 0.34 -2.51 0.00 0.00 175.55 172.48 1aw0 s ASP 48 N -3.12 5.40 0.35 -0.18 -1.08 -0.17 -1.08 116.67 116.79 1aw0 s ASP 48 Ca 0.26 -1.09 0.16 0.00 -0.52 0.00 0.00 52.55 51.36 1aw0 s ASP 48 Cb -0.00 -1.90 1.16 0.00 -1.46 0.00 0.00 42.92 40.71 1aw0 s ASP 48 CO 0.14 -0.33 1.63 -0.65 0.52 0.00 0.00 175.17 176.47 1aw0 h PRO 49 N 8.27 0.18 -0.14 4.34 0.11 -1.76 -0.54 132.00 142.46 1aw0 h PRO 49 Ca -0.24 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1aw0 h PRO 49 Cb 1.09 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1aw0 h PRO 49 CO 0.62 0.12 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.37 1aw0 h LEU 50 N 0.18 0.20 0.00 2.35 3.38 -1.95 -3.28 115.31 116.20 1aw0 h LEU 50 Ca 0.77 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 58.37 1aw0 h LEU 50 Cb 1.85 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 1aw0 h LEU 50 CO -0.68 0.31 -2.26 0.18 0.09 0.00 0.00 178.44 176.08 1aw0 n LEU 51 N -4.33 1.35 -3.77 1.67 4.77 -0.44 -5.04 117.00 111.21 1aw0 n LEU 51 Ca -0.01 -0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 1aw0 n LEU 51 Cb 0.23 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 1aw0 n LEU 51 CO 0.37 0.64 0.01 0.28 -1.33 0.00 0.00 177.39 177.36 1aw0 s THR 52 N -2.44 0.10 0.25 -5.08 -1.32 -0.34 -4.75 115.64 102.06 1aw0 s THR 52 Ca -0.19 -0.86 0.10 0.00 -1.21 0.00 0.00 61.69 59.53 1aw0 s THR 52 Cb 0.06 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.85 1aw0 s THR 52 CO 0.64 -0.48 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.46 1aw0 s SER 53 N -2.57 3.12 0.33 8.08 1.04 -1.26 -3.52 113.70 118.91 1aw0 s SER 53 Ca 0.01 -1.03 0.11 0.00 0.48 0.00 0.00 55.95 55.51 1aw0 s SER 53 Cb 0.02 -0.23 0.92 0.00 0.10 0.00 0.00 66.02 66.83 1aw0 s SER 53 CO -0.09 -0.07 1.73 -0.65 0.98 0.00 0.00 173.24 175.15 1aw0 h PRO 54 N 2.39 0.54 -0.32 4.02 0.11 -1.98 -0.98 132.00 135.78 1aw0 h PRO 54 Ca -0.39 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1aw0 h PRO 54 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1aw0 h PRO 54 CO 0.61 0.36 0.03 0.93 -0.21 0.00 0.00 178.00 179.72 1aw0 h GLU 55 N 0.56 0.54 -0.34 1.05 3.07 -1.98 -0.08 114.58 117.40 1aw0 h GLU 55 Ca 0.64 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1aw0 h GLU 55 Cb 1.27 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 1aw0 h GLU 55 CO -0.46 0.65 0.22 1.15 -1.40 0.00 0.00 179.01 179.17 1aw0 h THR 56 N 0.36 1.09 -0.16 1.13 2.02 -1.70 -0.10 112.91 115.56 1aw0 h THR 56 Ca 0.09 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1aw0 h THR 56 Cb 0.38 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1aw0 h THR 56 CO 0.01 0.09 0.08 -0.07 0.37 0.00 0.00 175.52 175.99 1aw0 h LEU 57 N 0.45 0.21 -0.86 2.58 3.38 -1.09 -0.55 115.31 119.43 1aw0 h LEU 57 Ca 0.12 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1aw0 h LEU 57 Cb -0.05 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 1aw0 h LEU 57 CO -0.03 0.27 0.48 -0.09 0.09 0.00 0.00 178.44 179.17 1aw0 h ARG 58 N 0.13 0.73 -0.71 1.13 2.43 -0.91 -0.83 114.38 116.35 1aw0 h ARG 58 Ca 0.05 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1aw0 h ARG 58 Cb 0.12 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 1aw0 h ARG 58 CO -0.01 0.48 0.38 0.78 -1.51 0.00 0.00 179.97 180.10 1aw0 h GLY 59 N 0.75 1.06 0.94 2.80 0.00 -0.23 0.02 103.07 108.41 1aw0 h GLY 59 Ca 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1aw0 h GLY 59 CO -0.29 0.12 0.13 0.00 0.00 0.00 0.00 176.54 176.50 1aw0 h ALA 60 N 1.40 0.54 -0.66 3.60 0.00 0.25 0.15 119.26 124.53 1aw0 h ALA 60 Ca 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1aw0 h ALA 60 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1aw0 h ALA 60 CO -0.23 0.17 0.28 0.82 0.00 0.00 0.00 179.25 180.29 1aw0 h ILE 61 N 0.52 1.24 -0.74 0.00 1.08 -1.06 -0.73 117.51 117.82 1aw0 h ILE 61 Ca 0.13 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1aw0 h ILE 61 Cb 0.25 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1aw0 h ILE 61 CO -0.01 0.29 0.41 -0.08 -0.69 0.00 0.00 178.15 178.07 1aw0 h GLU 62 N 0.94 1.03 -0.36 2.37 4.81 -0.78 -0.06 114.58 122.52 1aw0 h GLU 62 Ca 0.22 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1aw0 h GLU 62 Cb 0.19 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1aw0 h GLU 62 CO -0.02 0.76 0.17 0.22 -0.73 0.00 0.00 179.01 179.41 1aw0 h ASP 63 N 1.02 0.48 -0.53 1.04 3.58 -0.69 -2.33 116.42 118.99 1aw0 h ASP 63 Ca 0.26 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.60 1aw0 h ASP 63 Cb 0.03 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1aw0 h ASP 63 CO -0.04 0.48 0.35 0.24 -2.88 0.00 0.00 179.24 177.39 1aw0 h MET 64 N 0.44 0.60 0.00 0.28 2.86 -0.83 -3.47 114.93 114.81 1aw0 h MET 64 Ca 0.12 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1aw0 h MET 64 Cb 0.14 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1aw0 h MET 64 CO -0.01 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.76 1aw0 n GLY 65 N -1.47 0.70 3.03 8.32 0.00 -0.07 -5.09 105.19 110.61 1aw0 n GLY 65 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.20 0.37 -1.05 1.61 0.08 -1.00 -5.02 117.98 111.77 1aw0 s PHE 66 Ca 0.00 -0.76 -0.22 0.00 0.12 0.00 0.00 56.93 56.07 1aw0 s PHE 66 Cb 0.00 -0.27 0.06 0.00 -0.57 0.00 0.00 43.02 42.24 1aw0 s PHE 66 CO 0.00 -0.28 1.45 -0.51 -0.10 0.00 0.00 175.22 175.78 1aw0 s ASP 67 N -2.13 6.56 -0.20 1.36 1.01 -0.61 -4.15 116.67 118.51 1aw0 s ASP 67 Ca -0.05 -1.64 -0.11 0.00 0.71 0.00 0.00 52.55 51.46 1aw0 s ASP 67 Cb -0.02 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1aw0 s ASP 67 CO -0.05 -1.42 0.16 0.00 0.21 0.00 0.00 175.17 174.07 1aw0 s ALA 68 N 4.64 3.67 -0.08 5.23 0.00 -1.26 -1.56 121.76 132.39 1aw0 s ALA 68 Ca 0.46 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1aw0 s ALA 68 Cb -0.00 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.94 1aw0 s ALA 68 CO -0.08 0.11 0.17 0.99 0.00 0.00 0.00 175.76 176.96 1aw0 s THR 69 N 0.45 -0.08 0.77 0.00 2.01 -0.49 -4.98 115.64 113.31 1aw0 s THR 69 Ca 0.09 0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 1aw0 s THR 69 Cb -0.12 -0.28 0.06 0.00 0.01 0.00 0.00 72.50 72.17 1aw0 s THR 69 CO -0.01 0.08 1.19 -0.76 -0.69 0.00 0.00 174.62 174.44 1aw0 s LEU 70 N 1.34 3.21 -1.30 4.42 1.43 -1.26 -0.55 118.68 125.98 1aw0 s LEU 70 Ca -0.08 2.30 -0.15 0.00 -1.03 0.00 0.00 54.13 55.18 1aw0 s LEU 70 Cb -0.11 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.49 1aw0 s LEU 70 CO -0.07 -2.41 2.27 -1.54 0.23 0.00 0.00 176.35 174.83 1aw0 n SER 71 N -3.04 4.40 0.00 2.29 3.41 -0.68 -4.76 113.62 115.24 1aw0 n SER 71 Ca 0.13 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.01 1aw0 n SER 71 Cb 0.51 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21