#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 5.42 0.32 1.96 -4.23 -1.26 -4.43 115.64 113.42 1aw0 s THR 2 Ca 0.00 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 1aw0 s THR 2 Cb 0.00 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 1aw0 s THR 2 CO 0.00 0.47 0.56 -1.10 -0.54 0.00 0.00 174.62 174.01 1aw0 s GLN 3 N 0.11 3.55 -0.04 3.99 1.11 0.25 -4.82 119.66 123.81 1aw0 s GLN 3 Ca 0.10 -0.15 -0.01 0.00 0.01 0.00 0.00 55.36 55.31 1aw0 s GLN 3 Cb -0.11 -2.64 -0.04 0.00 -1.01 0.00 0.00 33.01 29.21 1aw0 s GLN 3 CO -0.00 0.16 0.04 -2.00 0.01 0.00 0.00 175.29 173.51 1aw0 s GLU 4 N -3.95 3.01 0.01 2.91 2.12 -1.26 -1.14 118.70 120.40 1aw0 s GLU 4 Ca 0.42 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1aw0 s GLU 4 Cb -0.10 -2.83 -0.01 0.00 0.26 0.00 0.00 34.13 31.45 1aw0 s GLU 4 CO 0.34 0.67 -0.02 -0.08 -0.54 0.00 0.00 175.26 175.63 1aw0 s THR 5 N -1.06 0.11 -0.27 -1.70 -1.32 -0.56 -5.01 115.64 105.82 1aw0 s THR 5 Ca 0.18 -0.45 -0.05 0.00 -1.21 0.00 0.00 61.69 60.16 1aw0 s THR 5 Cb -0.12 -0.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.71 1aw0 s THR 5 CO 0.09 -0.22 0.03 -0.69 -2.21 0.00 0.00 174.62 171.62 1aw0 s VAL 6 N -0.68 3.61 -0.22 5.08 1.01 0.30 -1.02 120.40 128.47 1aw0 s VAL 6 Ca -0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1aw0 s VAL 6 Cb -0.05 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1aw0 s VAL 6 CO -0.00 0.16 0.16 -0.63 0.00 0.00 0.00 175.10 174.78 1aw0 s ILE 7 N 1.45 5.37 -0.35 2.22 -1.09 -0.38 -0.94 121.20 127.48 1aw0 s ILE 7 Ca 0.02 0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 58.35 1aw0 s ILE 7 Cb -0.17 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1aw0 s ILE 7 CO -0.00 0.38 1.23 0.20 -1.23 0.00 0.00 174.94 175.52 1aw0 s ASN 8 N 0.81 6.69 -0.42 3.58 0.01 0.58 -0.70 114.94 125.49 1aw0 s ASN 8 Ca 0.08 0.99 0.00 0.00 -0.71 0.00 0.00 52.86 53.22 1aw0 s ASN 8 Cb -0.13 -2.54 0.11 0.00 0.41 0.00 0.00 41.25 39.10 1aw0 s ASN 8 CO 0.02 -1.10 0.18 -0.63 -1.51 0.00 0.00 177.10 174.06 1aw0 s ILE 9 N 4.34 2.88 0.21 0.60 1.01 -0.53 -1.66 121.20 128.05 1aw0 s ILE 9 Ca 0.53 -2.39 0.04 0.00 0.00 0.00 0.00 60.65 58.83 1aw0 s ILE 9 Cb -0.13 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1aw0 s ILE 9 CO 0.24 -0.69 0.34 -1.81 0.00 0.00 0.00 174.94 173.02 1aw0 s ASP 10 N 1.14 6.33 0.00 3.58 1.01 -0.79 -4.17 116.67 123.77 1aw0 s ASP 10 Ca 0.11 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1aw0 s ASP 10 Cb -0.21 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1aw0 s ASP 10 CO -0.05 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 175.90 1aw0 n GLY 11 N -1.14 0.73 3.57 0.21 0.00 -1.26 -1.01 105.19 106.28 1aw0 n GLY 11 Ca -0.08 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 3.67 0.09 1.61 -1.94 -1.26 -4.86 119.30 115.92 1aw0 s MET 12 Ca 0.00 -1.46 -0.24 0.00 -1.71 0.00 0.00 55.69 52.28 1aw0 s MET 12 Cb 0.00 -5.42 -0.14 0.00 2.01 0.00 0.00 34.83 31.28 1aw0 s MET 12 CO 0.00 -2.35 1.72 1.79 -0.01 0.00 0.00 175.02 176.17 1aw0 h THR 13 N 6.27 0.88 -3.58 2.05 1.35 -1.99 -3.46 112.91 114.44 1aw0 h THR 13 Ca 0.30 0.00 -0.40 0.00 -0.55 0.00 0.00 66.41 65.77 1aw0 h THR 13 Cb 0.95 0.88 -0.14 0.00 -1.73 0.00 0.00 68.15 68.10 1aw0 h THR 13 CO 1.43 0.00 -0.60 0.00 -0.25 0.00 0.00 175.52 176.10 1aw0 h ASN 15 N 2.27 0.00 -0.62 0.00 4.21 -2.00 -1.09 115.58 118.34 1aw0 h ASN 15 Ca -0.38 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.26 1aw0 h ASN 15 Cb 1.25 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.35 1aw0 h ASN 15 CO 0.60 0.00 0.07 0.28 -1.29 0.00 0.00 177.43 177.09 1aw0 h SER 16 N 0.00 -0.13 0.03 5.81 0.02 -1.98 -0.97 113.55 116.33 1aw0 h SER 16 Ca 0.04 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1aw0 h SER 16 Cb 0.24 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1aw0 h SER 16 CO -0.00 -0.06 -0.02 0.00 -1.14 0.00 0.00 176.83 175.62 1aw0 h VAL 18 N -0.06 0.33 -0.37 0.00 2.07 -1.40 -0.34 116.25 116.47 1aw0 h VAL 18 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1aw0 h VAL 18 Cb 0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1aw0 h VAL 18 CO 0.01 0.00 0.25 1.56 0.02 0.00 0.00 177.57 179.40 1aw0 h GLN 19 N -0.43 0.49 -0.21 1.57 1.08 -1.16 -1.86 115.11 114.60 1aw0 h GLN 19 Ca 0.07 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1aw0 h GLN 19 Cb 0.53 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 1aw0 h GLN 19 CO -0.29 0.33 0.05 0.77 -0.95 0.00 0.00 178.83 178.75 1aw0 h SER 20 N 0.50 0.03 0.94 1.46 0.02 -0.96 -1.25 113.55 114.29 1aw0 h SER 20 Ca 0.14 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1aw0 h SER 20 Cb -0.05 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1aw0 h SER 20 CO -0.03 0.05 -0.46 0.40 -1.14 0.00 0.00 176.83 175.65 1aw0 h ILE 21 N 0.14 0.06 -0.69 3.27 2.04 -0.85 -1.58 117.51 119.90 1aw0 h ILE 21 Ca 0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1aw0 h ILE 21 Cb 0.08 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 1aw0 h ILE 21 CO -0.11 0.00 0.42 1.05 0.00 0.00 0.00 178.15 179.50 1aw0 h GLU 22 N -1.28 0.77 0.07 2.37 4.11 -1.35 -0.51 114.58 118.77 1aw0 h GLU 22 Ca -0.13 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.28 1aw0 h GLU 22 Cb 0.98 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1aw0 h GLU 22 CO 0.21 0.51 -0.29 0.78 0.07 0.00 0.00 179.01 180.29 1aw0 h GLY 23 N 0.80 -0.50 0.80 1.06 0.00 -1.15 -1.13 103.07 102.94 1aw0 h GLY 23 Ca 0.29 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 1aw0 h GLY 23 CO -0.14 -0.23 -0.15 -2.08 0.00 0.00 0.00 176.54 173.95 1aw0 h VAL 24 N -0.47 0.71 -0.45 4.60 2.07 -0.98 -3.26 116.25 118.47 1aw0 h VAL 24 Ca 0.04 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1aw0 h VAL 24 Cb 0.53 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1aw0 h VAL 24 CO -0.20 0.08 0.14 0.40 0.02 0.00 0.00 177.57 178.00 1aw0 h ILE 25 N -0.63 1.19 -0.68 4.57 1.08 -1.07 -1.31 117.51 120.66 1aw0 h ILE 25 Ca -0.04 -0.64 0.19 0.00 -0.39 0.00 0.00 64.86 63.98 1aw0 h ILE 25 Cb 0.45 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1aw0 h ILE 25 CO 0.07 0.24 0.49 0.28 -0.69 0.00 0.00 178.15 178.54 1aw0 h SER 26 N 0.65 0.02 0.35 1.72 0.02 -1.25 -1.68 113.55 113.38 1aw0 h SER 26 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1aw0 h SER 26 Cb 0.20 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1aw0 h SER 26 CO -0.01 0.01 -0.32 0.29 -1.14 0.00 0.00 176.83 175.67 1aw0 n LYS 27 N -4.34 0.54 -2.41 3.45 4.76 -0.50 -4.69 118.16 114.97 1aw0 n LYS 27 Ca 0.13 -0.30 -0.39 0.00 -2.87 0.00 0.00 58.31 54.89 1aw0 n LYS 27 Cb 0.74 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.40 1aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1aw0 s LYS 28 N -2.67 4.28 0.29 1.97 -0.14 -0.63 -4.97 119.74 117.87 1aw0 s LYS 28 Ca 0.20 1.76 -0.30 0.00 -1.36 0.00 0.00 55.97 56.27 1aw0 s LYS 28 Cb 0.19 -2.82 -0.11 0.00 -1.68 0.00 0.00 37.83 33.41 1aw0 s LYS 28 CO 0.57 -0.10 1.50 -1.25 -0.76 0.00 0.00 175.35 175.32 1aw0 s PRO 29 N -2.06 4.19 0.00 -1.68 0.04 -1.26 -2.21 135.00 132.03 1aw0 s PRO 29 Ca 0.53 2.45 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1aw0 s PRO 29 Cb -0.29 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1aw0 s PRO 29 CO 0.37 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1aw0 n GLY 30 N 1.92 2.84 3.74 0.56 0.00 -1.26 -4.00 105.19 108.99 1aw0 n GLY 30 Ca 0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.86 2.95 0.00 1.61 1.01 -0.94 -1.88 120.40 122.30 1aw0 s VAL 31 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1aw0 s VAL 31 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1aw0 s VAL 31 CO 0.00 0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.51 1aw0 n LYS 32 N 2.45 0.00 -3.23 2.72 5.02 -0.45 -4.83 118.16 119.84 1aw0 n LYS 32 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 1aw0 n LYS 32 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.39 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 0.28 6.47 -0.03 4.39 1.04 -1.25 -4.87 113.70 119.73 1aw0 s SER 33 Ca 0.00 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1aw0 s SER 33 Cb 0.00 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.96 1aw0 s SER 33 CO 0.00 -0.24 0.35 -0.51 0.98 0.00 0.00 173.24 173.82 1aw0 s ILE 34 N -2.14 0.05 -0.23 -1.02 2.07 -1.26 -1.23 121.20 117.44 1aw0 s ILE 34 Ca 0.46 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 1aw0 s ILE 34 Cb -0.11 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.92 1aw0 s ILE 34 CO 0.30 -0.21 0.07 -0.60 -1.91 0.00 0.00 174.94 172.59 1aw0 s ARG 35 N -1.13 0.51 -0.59 3.50 6.06 -0.53 -5.00 118.95 121.77 1aw0 s ARG 35 Ca -0.12 -0.53 -0.19 0.00 -2.50 0.00 0.00 55.73 52.39 1aw0 s ARG 35 Cb -0.04 -1.89 0.10 0.00 0.06 0.00 0.00 34.95 33.17 1aw0 s ARG 35 CO 0.04 -0.78 0.71 0.08 -2.50 0.00 0.00 175.30 172.85 1aw0 s VAL 36 N 1.89 4.81 -0.25 7.11 1.01 -1.26 -1.31 120.40 132.39 1aw0 s VAL 36 Ca 0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1aw0 s VAL 36 Cb -0.17 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 1aw0 s VAL 36 CO -0.16 -1.11 0.63 -0.55 0.00 0.00 0.00 175.10 173.91 1aw0 s SER 37 N 3.55 6.59 0.02 3.32 0.15 -0.05 -4.96 113.70 122.33 1aw0 s SER 37 Ca 0.12 0.72 -0.22 0.00 0.70 0.00 0.00 55.95 57.28 1aw0 s SER 37 Cb -0.24 -2.34 -0.16 0.00 -1.71 0.00 0.00 66.02 61.57 1aw0 s SER 37 CO 0.07 -0.37 1.32 0.25 1.20 0.00 0.00 173.24 175.71 1aw0 h LEU 38 N 8.89 0.29 -0.71 3.45 5.85 -1.96 0.10 115.31 131.22 1aw0 h LEU 38 Ca -0.27 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.08 1aw0 h LEU 38 Cb 1.12 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 1aw0 h LEU 38 CO 0.77 0.72 0.31 0.00 -0.34 0.00 0.00 178.44 179.91 1aw0 h ALA 39 N 0.58 0.98 0.00 1.25 0.00 -1.96 -1.23 119.26 118.88 1aw0 h ALA 39 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aw0 h ALA 39 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1aw0 h ALA 39 CO 0.03 -0.15 -0.68 0.09 0.00 0.00 0.00 179.25 178.54 1aw0 n ASN 40 N -4.95 0.68 -3.54 0.00 3.02 -1.24 -4.99 115.26 104.24 1aw0 n ASN 40 Ca 0.12 0.06 -0.21 0.00 -0.03 0.00 0.00 54.58 54.52 1aw0 n ASN 40 Cb 0.34 0.26 0.05 0.00 -0.61 0.00 0.00 39.78 39.82 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 -2.07 -3.61 -3.65 6.41 7.64 -0.06 -4.93 113.62 113.34 1aw0 n SER 41 Ca 0.03 -0.81 -0.11 0.00 1.01 0.00 0.00 58.87 59.00 1aw0 n SER 41 Cb 0.44 -4.37 -0.05 0.00 -1.01 0.00 0.00 64.21 59.22 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 -0.23 -0.25 6.43 2.20 -0.68 -1.45 114.94 117.04 1aw0 s ASN 42 Ca 0.22 -0.24 -0.01 0.00 -0.94 0.00 0.00 52.86 51.89 1aw0 s ASN 42 Cb -0.05 0.45 0.03 0.00 -2.00 0.00 0.00 41.25 39.68 1aw0 s ASN 42 CO 0.79 -0.79 -0.06 -0.83 -2.94 0.00 0.00 177.10 173.27 1aw0 s GLY 43 N -2.57 1.63 -0.63 0.45 0.00 0.12 -0.87 107.32 105.44 1aw0 s GLY 43 Ca 0.01 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1aw0 s GLY 43 CO -0.09 0.53 0.62 -1.59 0.00 0.00 0.00 173.10 172.57 1aw0 s THR 44 N 1.30 5.24 -0.15 0.90 2.01 -0.43 -1.25 115.64 123.27 1aw0 s THR 44 Ca -0.01 -1.68 -0.07 0.00 0.31 0.00 0.00 61.69 60.25 1aw0 s THR 44 Cb -0.17 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 1aw0 s THR 44 CO -0.04 -0.97 0.08 -0.69 -0.69 0.00 0.00 174.62 172.31 1aw0 s VAL 45 N 1.42 5.00 -0.29 3.82 1.01 -0.19 -1.46 120.40 129.71 1aw0 s VAL 45 Ca 0.09 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 1aw0 s VAL 45 Cb -0.23 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1aw0 s VAL 45 CO 0.00 0.52 0.12 -1.61 0.00 0.00 0.00 175.10 174.13 1aw0 s GLU 46 N -0.19 3.42 0.03 2.72 8.01 -0.36 -1.50 118.70 130.82 1aw0 s GLU 46 Ca 0.09 -0.65 -0.09 0.00 0.01 0.00 0.00 54.97 54.33 1aw0 s GLU 46 Cb -0.12 -3.47 0.00 0.00 -4.31 0.00 0.00 34.13 26.23 1aw0 s GLU 46 CO 0.01 -0.34 0.17 1.52 0.01 0.00 0.00 175.26 176.63 1aw0 s TYR 47 N 1.61 0.06 -0.24 1.61 1.13 -0.29 -1.34 117.35 119.88 1aw0 s TYR 47 Ca 0.05 -0.24 -0.22 0.00 -1.41 0.00 0.00 57.07 55.26 1aw0 s TYR 47 Cb -0.16 -0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1aw0 s TYR 47 CO 0.05 -0.38 0.69 0.34 -2.51 0.00 0.00 175.55 173.74 1aw0 s ASP 48 N -1.85 6.67 0.34 -0.18 -1.08 -0.79 -0.59 116.67 119.19 1aw0 s ASP 48 Ca -0.08 0.83 0.12 0.00 -0.52 0.00 0.00 52.55 52.90 1aw0 s ASP 48 Cb -0.03 -2.37 0.97 0.00 -1.46 0.00 0.00 42.92 40.03 1aw0 s ASP 48 CO -0.02 -0.40 1.72 -0.65 0.52 0.00 0.00 175.17 176.34 1aw0 h PRO 49 N 7.77 0.48 0.00 4.34 0.11 -1.77 -1.74 132.00 141.19 1aw0 h PRO 49 Ca -0.26 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1aw0 h PRO 49 Cb 1.12 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1aw0 h PRO 49 CO 0.80 0.32 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.51 1aw0 h LEU 50 N 0.50 0.00 0.00 2.35 3.38 -1.93 -3.27 115.31 116.34 1aw0 h LEU 50 Ca 0.66 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.25 1aw0 h LEU 50 Cb 1.38 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.06 1aw0 h LEU 50 CO -0.47 0.34 -2.41 0.18 0.09 0.00 0.00 178.44 176.17 1aw0 n LEU 51 N -3.96 1.43 -4.00 1.67 4.32 -0.82 -5.04 117.00 110.60 1aw0 n LEU 51 Ca -0.02 -0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.83 1aw0 n LEU 51 Cb 0.40 -0.18 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1aw0 n LEU 51 CO 0.37 0.71 0.19 0.28 -1.22 0.00 0.00 177.39 177.72 1aw0 s THR 52 N -2.51 0.00 0.10 -5.08 -1.32 -0.72 -4.74 115.64 101.38 1aw0 s THR 52 Ca -0.22 -1.41 -0.00 0.00 -1.21 0.00 0.00 61.69 58.85 1aw0 s THR 52 Cb 0.07 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1aw0 s THR 52 CO 0.72 0.00 0.00 -0.94 -2.21 0.00 0.00 174.62 172.20 1aw0 s SER 53 N -3.04 0.58 0.26 8.08 1.04 -1.26 -3.72 113.70 115.64 1aw0 s SER 53 Ca 0.23 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.54 1aw0 s SER 53 Cb -0.01 0.22 0.56 0.00 0.10 0.00 0.00 66.02 66.88 1aw0 s SER 53 CO 0.10 -0.63 1.74 -0.65 0.98 0.00 0.00 173.24 174.78 1aw0 h PRO 54 N 2.96 0.50 -0.57 4.02 0.11 -1.99 -0.94 132.00 136.09 1aw0 h PRO 54 Ca -0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1aw0 h PRO 54 Cb 1.17 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1aw0 h PRO 54 CO 0.63 0.33 0.27 0.93 -0.21 0.00 0.00 178.00 179.95 1aw0 h GLU 55 N 0.52 0.83 -0.18 1.05 4.39 -1.98 -0.08 114.58 119.13 1aw0 h GLU 55 Ca 0.47 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1aw0 h GLU 55 Cb 0.74 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1aw0 h GLU 55 CO -0.41 0.68 0.05 1.15 -1.16 0.00 0.00 179.01 179.32 1aw0 h THR 56 N 0.78 1.19 0.03 1.13 2.02 -1.74 -0.19 112.91 116.13 1aw0 h THR 56 Ca 0.20 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1aw0 h THR 56 Cb 0.13 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1aw0 h THR 56 CO -0.02 0.19 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 1aw0 h LEU 57 N 0.12 -0.10 -0.62 2.58 3.38 -1.11 -0.46 115.31 119.10 1aw0 h LEU 57 Ca 0.06 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1aw0 h LEU 57 Cb 0.24 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1aw0 h LEU 57 CO -0.00 -0.06 0.13 -0.09 0.09 0.00 0.00 178.44 178.51 1aw0 h ARG 58 N -0.08 0.25 -0.38 1.13 2.43 -0.97 -1.20 114.38 115.56 1aw0 h ARG 58 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1aw0 h ARG 58 Cb 0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1aw0 h ARG 58 CO -0.01 0.17 0.17 0.78 -1.51 0.00 0.00 179.97 179.57 1aw0 h GLY 59 N 0.26 0.51 0.95 2.80 0.00 -0.43 0.26 103.07 107.42 1aw0 h GLY 59 Ca 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1aw0 h GLY 59 CO -0.42 0.08 0.18 0.00 0.00 0.00 0.00 176.54 176.39 1aw0 h ALA 60 N 1.21 0.51 -0.53 3.60 0.00 -0.47 0.28 119.26 123.87 1aw0 h ALA 60 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1aw0 h ALA 60 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1aw0 h ALA 60 CO -0.13 0.08 0.24 0.82 0.00 0.00 0.00 179.25 180.26 1aw0 h ILE 61 N 0.50 1.21 -0.36 0.00 2.04 -1.05 -1.31 117.51 118.53 1aw0 h ILE 61 Ca 0.13 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1aw0 h ILE 61 Cb 0.13 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1aw0 h ILE 61 CO -0.02 0.24 0.22 -0.08 0.00 0.00 0.00 178.15 178.51 1aw0 h GLU 62 N 0.71 0.44 -0.74 2.37 4.22 -0.74 -2.26 114.58 118.58 1aw0 h GLU 62 Ca 0.18 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.61 1aw0 h GLU 62 Cb 0.15 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1aw0 h GLU 62 CO -0.02 0.29 0.47 0.22 -2.18 0.00 0.00 179.01 177.80 1aw0 h ASP 63 N 0.46 0.80 -0.49 1.04 3.58 -0.62 -1.78 116.42 119.41 1aw0 h ASP 63 Ca 0.14 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.62 1aw0 h ASP 63 Cb -0.02 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 1aw0 h ASP 63 CO -0.05 0.56 0.26 0.24 -2.88 0.00 0.00 179.24 177.37 1aw0 h MET 64 N 0.95 0.49 0.00 0.28 2.86 -1.05 -3.47 114.93 114.99 1aw0 h MET 64 Ca 0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1aw0 h MET 64 Cb -0.04 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1aw0 h MET 64 CO -0.09 0.33 0.00 0.41 1.06 0.00 0.00 176.91 178.62 1aw0 n GLY 65 N -1.24 0.15 3.08 8.32 0.00 -0.67 -5.12 105.19 109.71 1aw0 n GLY 65 Ca 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 0.47 -1.09 1.61 0.08 -1.14 -5.00 117.98 112.90 1aw0 s PHE 66 Ca 0.00 -0.97 -0.22 0.00 0.12 0.00 0.00 56.93 55.86 1aw0 s PHE 66 Cb 0.00 -0.35 0.05 0.00 -0.57 0.00 0.00 43.02 42.15 1aw0 s PHE 66 CO 0.00 -0.36 1.56 -0.51 -0.10 0.00 0.00 175.22 175.81 1aw0 s ASP 67 N -2.70 6.50 -0.30 1.36 1.01 -0.18 -4.18 116.67 118.19 1aw0 s ASP 67 Ca 0.03 -1.68 -0.12 0.00 0.71 0.00 0.00 52.55 51.50 1aw0 s ASP 67 Cb 0.05 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1aw0 s ASP 67 CO -0.09 -1.51 0.23 0.00 0.21 0.00 0.00 175.17 174.02 1aw0 s ALA 68 N 5.14 3.53 0.03 5.23 0.00 -1.26 -1.88 121.76 132.54 1aw0 s ALA 68 Ca 0.50 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1aw0 s ALA 68 Cb 0.01 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1aw0 s ALA 68 CO -0.04 -0.69 -0.05 0.95 0.00 0.00 0.00 175.76 175.93 1aw0 s THR 69 N 1.81 0.30 0.06 0.00 -4.23 -0.67 -4.91 115.64 108.00 1aw0 s THR 69 Ca 0.08 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.31 1aw0 s THR 69 Cb -0.16 -0.41 -0.06 0.00 1.34 0.00 0.00 72.50 73.21 1aw0 s THR 69 CO 0.11 -0.44 1.22 -0.76 -0.54 0.00 0.00 174.62 174.21 1aw0 s LEU 70 N -1.50 4.36 -0.19 4.79 1.43 -1.26 -0.31 118.68 126.01 1aw0 s LEU 70 Ca -0.13 2.03 -0.19 0.00 -1.03 0.00 0.00 54.13 54.80 1aw0 s LEU 70 Cb -0.10 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.38 1aw0 s LEU 70 CO -0.00 -0.50 0.16 -1.28 0.23 0.00 0.00 176.35 174.96 1aw0 h SER 71 N 6.86 0.00 0.00 2.29 0.87 -1.37 -3.45 113.55 118.75 1aw0 h SER 71 Ca -0.41 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1aw0 h SER 71 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1aw0 h SER 71 CO 0.82 1.34 0.00 -0.90 -0.53 0.00 0.00 176.83 177.56