#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw0 n THR 2 N 0.00 1.39 -3.62 -5.08 -2.24 -1.24 -3.41 114.28 100.08 1aw0 n THR 2 Ca 0.00 -5.06 -0.38 0.00 -2.27 0.00 0.00 64.05 56.34 1aw0 n THR 2 Cb 0.00 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.32 1aw0 n THR 2 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1aw0 s GLN 3 N -2.90 3.78 -0.07 -0.78 -1.52 -0.51 -4.84 119.66 112.82 1aw0 s GLN 3 Ca 0.44 0.23 -0.05 0.00 -1.95 0.00 0.00 55.36 54.04 1aw0 s GLN 3 Cb 0.31 -3.22 -0.04 0.00 -0.22 0.00 0.00 33.01 29.84 1aw0 s GLN 3 CO -0.11 0.70 0.13 -1.21 -0.25 0.00 0.00 175.29 174.56 1aw0 s GLU 4 N -1.00 3.36 -0.01 2.91 2.02 -1.26 -0.77 118.70 123.94 1aw0 s GLU 4 Ca 0.21 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1aw0 s GLU 4 Cb -0.15 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1aw0 s GLU 4 CO 0.10 0.73 -0.05 -0.08 0.02 0.00 0.00 175.26 175.98 1aw0 s THR 5 N -1.12 0.42 -0.20 3.63 -1.32 -0.50 -4.99 115.64 111.56 1aw0 s THR 5 Ca 0.19 -0.19 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1aw0 s THR 5 Cb -0.12 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 1aw0 s THR 5 CO 0.09 0.14 0.13 -0.69 -2.21 0.00 0.00 174.62 172.08 1aw0 s VAL 6 N 0.11 5.40 -0.13 5.08 1.01 -1.26 -1.14 120.40 129.48 1aw0 s VAL 6 Ca -0.01 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1aw0 s VAL 6 Cb -0.05 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.88 1aw0 s VAL 6 CO -0.00 0.43 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 1aw0 s ILE 7 N 0.42 1.41 -0.10 2.22 1.01 -0.52 -1.45 121.20 124.20 1aw0 s ILE 7 Ca 0.08 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.88 1aw0 s ILE 7 Cb -0.11 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1aw0 s ILE 7 CO -0.01 0.43 1.14 0.20 0.00 0.00 0.00 174.94 176.70 1aw0 s ASN 8 N 1.36 7.09 -0.29 3.58 0.01 0.51 -0.74 114.94 126.46 1aw0 s ASN 8 Ca 0.01 1.69 0.01 0.00 -0.71 0.00 0.00 52.86 53.85 1aw0 s ASN 8 Cb -0.13 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.03 1aw0 s ASN 8 CO -0.07 -0.58 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.27 1aw0 s ILE 9 N 2.41 2.58 0.06 0.60 1.01 -0.29 -1.10 121.20 126.47 1aw0 s ILE 9 Ca 0.53 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 1aw0 s ILE 9 Cb -0.22 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1aw0 s ILE 9 CO 0.19 -0.12 0.21 -1.81 0.00 0.00 0.00 174.94 173.41 1aw0 s ASP 10 N 1.18 6.36 0.00 3.58 1.01 -0.37 -4.25 116.67 124.19 1aw0 s ASP 10 Ca -0.06 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1aw0 s ASP 10 Cb -0.20 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1aw0 s ASP 10 CO -0.03 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.13 1aw0 n GLY 11 N 0.32 0.60 3.57 0.21 0.00 -1.26 -1.04 105.19 107.60 1aw0 n GLY 11 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.97 3.20 0.09 1.61 -1.94 -1.26 -4.91 119.30 115.12 1aw0 s MET 12 Ca 0.00 0.54 -0.33 0.00 -1.71 0.00 0.00 55.69 54.19 1aw0 s MET 12 Cb 0.00 -4.17 -0.14 0.00 2.01 0.00 0.00 34.83 32.53 1aw0 s MET 12 CO 0.00 -2.06 1.59 1.15 -0.01 0.00 0.00 175.02 175.70 1aw0 h THR 13 N 6.48 0.17 -1.30 2.05 2.02 -1.96 -3.48 112.91 116.88 1aw0 h THR 13 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1aw0 h THR 13 Cb 1.11 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1aw0 h THR 13 CO 1.17 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.06 1aw0 n ASN 15 N -0.40 3.36 0.07 0.00 4.13 -1.26 -2.75 115.26 118.41 1aw0 n ASN 15 Ca 0.00 -2.75 0.00 0.00 1.68 0.00 0.00 54.58 53.51 1aw0 n ASN 15 Cb 0.00 -1.61 0.00 0.00 -1.54 0.00 0.00 39.78 36.63 1aw0 n ASN 15 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1aw0 n SER 16 N 11.34 -1.25 -0.02 6.41 3.41 -1.26 -4.84 113.62 127.41 1aw0 n SER 16 Ca 0.47 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 59.36 1aw0 n SER 16 Cb 0.45 1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 65.76 1aw0 n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aw0 h VAL 18 N 0.12 0.38 -0.36 0.00 2.07 -1.89 -0.72 116.25 115.85 1aw0 h VAL 18 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1aw0 h VAL 18 Cb 0.03 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1aw0 h VAL 18 CO -0.06 0.00 0.17 1.56 0.02 0.00 0.00 177.57 179.26 1aw0 h GLN 19 N -0.15 0.53 0.24 1.57 4.20 -1.80 -0.96 115.11 118.74 1aw0 h GLN 19 Ca 0.19 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1aw0 h GLN 19 Cb 0.45 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1aw0 h GLN 19 CO -0.49 0.48 -0.17 0.77 -0.67 0.00 0.00 178.83 178.75 1aw0 h SER 20 N 0.45 -0.44 0.17 1.46 0.02 -0.72 -0.66 113.55 113.83 1aw0 h SER 20 Ca 0.12 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1aw0 h SER 20 Cb 0.13 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1aw0 h SER 20 CO -0.02 -0.27 -0.27 0.40 -1.14 0.00 0.00 176.83 175.53 1aw0 h ILE 21 N -0.42 0.41 -0.08 3.27 2.04 -1.09 -1.34 117.51 120.31 1aw0 h ILE 21 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 1aw0 h ILE 21 Cb 0.36 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1aw0 h ILE 21 CO 0.00 0.00 -0.29 -0.08 0.00 0.00 0.00 178.15 177.79 1aw0 h GLU 22 N -0.52 -0.37 0.21 2.37 4.81 -1.05 -0.41 114.58 119.62 1aw0 h GLU 22 Ca 0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1aw0 h GLU 22 Cb 0.52 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1aw0 h GLU 22 CO -0.12 -0.25 -0.20 0.78 -0.73 0.00 0.00 179.01 178.49 1aw0 h GLY 23 N -0.39 -0.44 0.82 1.92 0.00 -1.01 -1.71 103.07 102.26 1aw0 h GLY 23 Ca 0.08 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1aw0 h GLY 23 CO -0.30 -0.19 -0.19 -2.08 0.00 0.00 0.00 176.54 173.78 1aw0 h VAL 24 N -0.44 0.60 -0.74 4.60 2.07 -1.08 -3.16 116.25 118.10 1aw0 h VAL 24 Ca -0.00 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1aw0 h VAL 24 Cb 0.41 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1aw0 h VAL 24 CO -0.04 0.06 0.49 0.40 0.02 0.00 0.00 177.57 178.50 1aw0 h ILE 25 N -0.72 1.18 -1.00 4.57 1.08 -1.11 -1.50 117.51 120.01 1aw0 h ILE 25 Ca -0.05 -0.34 0.25 0.00 -0.39 0.00 0.00 64.86 64.33 1aw0 h ILE 25 Cb 0.50 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.28 1aw0 h ILE 25 CO 0.09 0.18 0.66 -1.28 -0.69 0.00 0.00 178.15 177.11 1aw0 h SER 26 N 0.99 0.36 0.55 1.72 0.87 -1.27 -1.58 113.55 115.18 1aw0 h SER 26 Ca 0.28 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1aw0 h SER 26 Cb -0.09 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1aw0 h SER 26 CO -0.06 0.10 -0.51 0.29 -0.53 0.00 0.00 176.83 176.12 1aw0 n LYS 27 N -4.51 0.03 -2.27 2.24 5.02 -0.57 -4.52 118.16 113.57 1aw0 n LYS 27 Ca 0.23 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1aw0 n LYS 27 Cb 0.85 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.34 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 -3.02 3.78 0.17 1.97 -0.14 -0.60 -4.94 119.74 116.97 1aw0 s LYS 28 Ca 0.11 1.77 -0.32 0.00 -1.36 0.00 0.00 55.97 56.16 1aw0 s LYS 28 Cb 0.17 -2.42 -0.16 0.00 -1.68 0.00 0.00 37.83 33.74 1aw0 s LYS 28 CO 0.70 -0.53 1.03 -2.30 -0.76 0.00 0.00 175.35 173.49 1aw0 n PRO 29 N -0.45 0.87 0.00 -1.68 -0.02 -1.26 -2.16 135.00 130.30 1aw0 n PRO 29 Ca 0.07 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1aw0 n PRO 29 Cb 0.48 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.85 2.17 3.77 -1.23 0.00 -1.26 -4.47 105.19 106.01 1aw0 n GLY 30 Ca 0.15 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.70 2.76 0.00 1.61 1.01 -0.92 -1.56 120.40 122.60 1aw0 s VAL 31 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1aw0 s VAL 31 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1aw0 s VAL 31 CO 0.00 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.53 1aw0 n LYS 32 N 0.53 0.00 -3.16 2.72 5.02 -0.31 -4.83 118.16 118.13 1aw0 n LYS 32 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 1aw0 n LYS 32 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.67 6.46 -0.15 4.39 1.04 -1.26 -4.87 113.70 119.99 1aw0 s SER 33 Ca 0.00 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.15 1aw0 s SER 33 Cb 0.00 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 63.96 1aw0 s SER 33 CO 0.00 -0.27 0.39 -0.51 0.98 0.00 0.00 173.24 173.83 1aw0 s ILE 34 N -2.20 -0.00 -0.23 -1.02 2.07 -1.26 -0.91 121.20 117.64 1aw0 s ILE 34 Ca 0.46 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.71 1aw0 s ILE 34 Cb -0.11 -0.55 0.06 0.00 0.13 0.00 0.00 42.46 42.00 1aw0 s ILE 34 CO 0.31 0.00 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.17 1aw0 s ARG 35 N 0.23 1.48 -0.23 3.50 0.52 -0.49 -5.02 118.95 118.95 1aw0 s ARG 35 Ca -0.00 -0.95 -0.10 0.00 -0.52 0.00 0.00 55.73 54.16 1aw0 s ARG 35 Cb -0.03 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.86 1aw0 s ARG 35 CO 0.00 -0.62 0.14 0.08 0.02 0.00 0.00 175.30 174.92 1aw0 s VAL 36 N 1.44 5.27 -0.14 3.52 1.01 -1.26 -1.04 120.40 129.20 1aw0 s VAL 36 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1aw0 s VAL 36 Cb -0.19 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1aw0 s VAL 36 CO -0.07 0.37 -0.15 -0.55 0.00 0.00 0.00 175.10 174.70 1aw0 s SER 37 N 0.92 3.78 -0.03 3.32 0.15 -0.37 -4.98 113.70 116.48 1aw0 s SER 37 Ca 0.07 -0.41 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 1aw0 s SER 37 Cb -0.13 -1.57 -0.20 0.00 -1.71 0.00 0.00 66.02 62.40 1aw0 s SER 37 CO 0.03 0.13 1.20 0.25 1.20 0.00 0.00 173.24 176.05 1aw0 h LEU 38 N 6.97 -0.03 -0.75 3.45 5.85 -1.96 -0.77 115.31 128.08 1aw0 h LEU 38 Ca -0.28 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.04 1aw0 h LEU 38 Cb 1.21 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 1aw0 h LEU 38 CO 0.55 0.51 0.36 0.00 -0.34 0.00 0.00 178.44 179.52 1aw0 h ALA 39 N 0.39 1.05 0.00 1.25 0.00 -1.97 -1.15 119.26 118.83 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 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1aw0 h ALA 39 CO 0.01 -0.07 -0.76 -0.91 0.00 0.00 0.00 179.25 177.51 1aw0 h ASN 40 N 0.59 0.00 -5.88 0.00 2.35 -2.00 -3.48 115.58 107.15 1aw0 h ASN 40 Ca 0.38 -0.16 -0.36 0.00 -0.55 0.00 0.00 56.30 55.61 1aw0 h ASN 40 Cb 0.46 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.95 1aw0 h ASN 40 CO -0.31 0.08 -0.87 -1.20 -1.65 0.00 0.00 177.43 173.49 1aw0 n SER 41 N -2.29 -4.29 -3.91 5.81 7.64 -0.35 -4.91 113.62 111.32 1aw0 n SER 41 Ca 0.02 -0.83 -0.09 0.00 1.01 0.00 0.00 58.87 58.99 1aw0 n SER 41 Cb 0.47 -4.32 -0.04 0.00 -1.01 0.00 0.00 64.21 59.31 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 -3.77 -0.17 -0.18 6.43 2.20 -0.88 -1.14 114.94 117.42 1aw0 s ASN 42 Ca 0.30 -0.74 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 1aw0 s ASN 42 Cb -0.07 0.62 0.04 0.00 -2.00 0.00 0.00 41.25 39.84 1aw0 s ASN 42 CO 0.80 -1.18 -0.09 -0.83 -2.94 0.00 0.00 177.10 172.86 1aw0 s GLY 43 N -2.96 1.13 -0.57 0.45 0.00 0.08 -1.24 107.32 104.21 1aw0 s GLY 43 Ca 0.16 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 43.70 1aw0 s GLY 43 CO 0.06 0.76 0.55 -1.59 0.00 0.00 0.00 173.10 172.88 1aw0 s THR 44 N 1.50 5.19 -0.19 0.90 2.01 -0.20 -1.43 115.64 123.41 1aw0 s THR 44 Ca 0.01 -1.51 -0.06 0.00 0.31 0.00 0.00 61.69 60.43 1aw0 s THR 44 Cb -0.15 -4.37 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 1aw0 s THR 44 CO -0.08 -0.92 0.02 -0.69 -0.69 0.00 0.00 174.62 172.25 1aw0 s VAL 45 N 1.63 4.23 -0.08 3.82 1.01 -0.30 -1.39 120.40 129.34 1aw0 s VAL 45 Ca 0.06 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1aw0 s VAL 45 Cb -0.27 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1aw0 s VAL 45 CO 0.02 0.44 0.55 -0.70 0.00 0.00 0.00 175.10 175.41 1aw0 s GLU 46 N 0.76 4.34 0.18 2.72 2.12 -0.09 -1.41 118.70 127.32 1aw0 s GLU 46 Ca 0.01 0.61 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 1aw0 s GLU 46 Cb -0.14 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1aw0 s GLU 46 CO 0.02 0.21 0.36 1.52 -0.54 0.00 0.00 175.26 176.83 1aw0 s TYR 47 N 0.40 0.23 -0.36 5.30 1.13 0.05 -1.16 117.35 122.95 1aw0 s TYR 47 Ca 0.30 -0.59 -0.13 0.00 -1.41 0.00 0.00 57.07 55.23 1aw0 s TYR 47 Cb -0.16 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1aw0 s TYR 47 CO 0.14 -0.79 0.24 0.34 -2.51 0.00 0.00 175.55 172.97 1aw0 s ASP 48 N -2.94 6.00 0.42 -0.18 -1.08 -0.60 -1.42 116.67 116.87 1aw0 s ASP 48 Ca 0.15 -0.58 0.24 0.00 -0.52 0.00 0.00 52.55 51.83 1aw0 s ASP 48 Cb 0.02 -2.12 1.24 0.00 -1.46 0.00 0.00 42.92 40.60 1aw0 s ASP 48 CO -0.01 -0.29 1.72 -0.65 0.52 0.00 0.00 175.17 176.47 1aw0 h PRO 49 N 8.51 0.26 -0.32 4.34 0.11 -1.83 -1.24 132.00 141.83 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 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1aw0 h PRO 49 CO 0.66 0.17 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.51 1aw0 h LEU 50 N 0.26 0.47 0.00 2.35 3.38 -1.95 -3.30 115.31 116.52 1aw0 h LEU 50 Ca 0.67 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 58.16 1aw0 h LEU 50 Cb 1.91 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 42.47 1aw0 h LEU 50 CO -0.32 0.56 -2.43 0.18 0.09 0.00 0.00 178.44 176.52 1aw0 n LEU 51 N -4.27 1.86 -4.10 1.67 4.32 -0.60 -5.06 117.00 110.82 1aw0 n LEU 51 Ca 0.01 -0.08 -0.14 0.00 -0.02 0.00 0.00 56.01 55.78 1aw0 n LEU 51 Cb 0.26 -0.38 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 1aw0 n LEU 51 CO 0.39 0.77 0.09 0.28 -1.22 0.00 0.00 177.39 177.71 1aw0 s THR 52 N -2.51 0.00 0.11 -5.08 -1.32 -0.57 -4.76 115.64 101.52 1aw0 s THR 52 Ca -0.25 -1.64 -0.10 0.00 -1.21 0.00 0.00 61.69 58.49 1aw0 s THR 52 Cb 0.08 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 1aw0 s THR 52 CO 0.69 0.00 0.25 -0.94 -2.21 0.00 0.00 174.62 172.41 1aw0 s SER 53 N -3.21 0.03 0.33 8.08 1.04 -1.26 -3.83 113.70 114.88 1aw0 s SER 53 Ca 0.31 -0.64 0.09 0.00 0.48 0.00 0.00 55.95 56.20 1aw0 s SER 53 Cb 0.00 0.39 0.84 0.00 0.10 0.00 0.00 66.02 67.36 1aw0 s SER 53 CO 0.19 -0.79 1.79 -0.65 0.98 0.00 0.00 173.24 174.75 1aw0 h PRO 54 N 2.63 0.64 -0.37 4.02 0.11 -1.99 -0.71 132.00 136.33 1aw0 h PRO 54 Ca -0.33 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1aw0 h PRO 54 Cb 1.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 54 CO 0.52 0.42 0.03 0.93 -0.21 0.00 0.00 178.00 179.69 1aw0 h GLU 55 N 0.66 0.63 -0.33 1.05 3.07 -1.98 -0.36 114.58 117.31 1aw0 h GLU 55 Ca 0.57 -0.19 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 1aw0 h GLU 55 Cb 1.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1aw0 h GLU 55 CO -0.34 0.72 0.08 1.15 -1.40 0.00 0.00 179.01 179.22 1aw0 h THR 56 N 0.45 1.22 -0.29 1.13 2.02 -1.70 -0.74 112.91 115.00 1aw0 h THR 56 Ca 0.11 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1aw0 h THR 56 Cb 0.42 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1aw0 h THR 56 CO 0.01 0.25 0.12 -0.07 0.37 0.00 0.00 175.52 176.20 1aw0 h LEU 57 N 0.38 0.41 -0.46 2.58 3.38 -1.10 0.33 115.31 120.82 1aw0 h LEU 57 Ca 0.10 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1aw0 h LEU 57 Cb 0.29 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 1aw0 h LEU 57 CO 0.00 0.46 -0.02 -0.09 0.09 0.00 0.00 178.44 178.88 1aw0 h ARG 58 N 0.33 0.09 -0.63 1.13 2.43 -1.03 -1.27 114.38 115.42 1aw0 h ARG 58 Ca 0.10 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1aw0 h ARG 58 Cb 0.18 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1aw0 h ARG 58 CO -0.01 0.06 0.29 0.78 -1.51 0.00 0.00 179.97 179.58 1aw0 h GLY 59 N 0.09 0.91 0.85 2.80 0.00 -0.50 -0.19 103.07 107.04 1aw0 h GLY 59 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1aw0 h GLY 59 CO -0.40 0.05 0.05 0.00 0.00 0.00 0.00 176.54 176.24 1aw0 h ALA 60 N 1.38 0.19 -0.86 3.60 0.00 -0.30 0.74 119.26 124.01 1aw0 h ALA 60 Ca 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1aw0 h ALA 60 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1aw0 h ALA 60 CO -0.25 -0.20 0.57 0.82 0.00 0.00 0.00 179.25 180.19 1aw0 h ILE 61 N 0.05 1.22 -0.72 0.00 2.04 -1.07 -0.79 117.51 118.23 1aw0 h ILE 61 Ca 0.05 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1aw0 h ILE 61 Cb 0.22 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1aw0 h ILE 61 CO -0.00 0.22 0.20 -0.08 0.00 0.00 0.00 178.15 178.49 1aw0 h GLU 62 N 1.17 1.14 -0.63 2.37 4.57 -0.81 -1.61 114.58 120.78 1aw0 h GLU 62 Ca 0.32 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1aw0 h GLU 62 Cb -0.13 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.28 1aw0 h GLU 62 CO -0.07 0.99 0.23 0.22 -1.18 0.00 0.00 179.01 179.20 1aw0 h ASP 63 N 1.08 0.90 -0.52 1.04 3.58 -0.32 -2.46 116.42 119.73 1aw0 h ASP 63 Ca 0.23 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.52 1aw0 h ASP 63 Cb 0.34 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 1aw0 h ASP 63 CO -0.00 0.84 0.30 0.24 -2.88 0.00 0.00 179.24 177.74 1aw0 h MET 64 N 0.90 0.57 0.00 0.28 2.86 -0.96 -3.47 114.93 115.11 1aw0 h MET 64 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1aw0 h MET 64 Cb 0.24 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1aw0 h MET 64 CO -0.01 0.38 0.00 0.41 1.06 0.00 0.00 176.91 178.75 1aw0 n GLY 65 N -1.25 0.30 2.88 8.32 0.00 -0.64 -5.11 105.19 109.70 1aw0 n GLY 65 Ca 0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.01 -0.82 1.61 0.08 -1.01 -5.00 117.98 112.82 1aw0 s PHE 66 Ca 0.00 0.04 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 1aw0 s PHE 66 Cb 0.00 -0.01 -0.03 0.00 -0.57 0.00 0.00 43.02 42.41 1aw0 s PHE 66 CO 0.00 -0.01 1.88 -0.51 -0.10 0.00 0.00 175.22 176.47 1aw0 s ASP 67 N 0.08 5.28 -0.18 1.36 1.01 -0.20 -3.71 116.67 120.30 1aw0 s ASP 67 Ca -0.01 -0.43 -0.10 0.00 0.71 0.00 0.00 52.55 52.72 1aw0 s ASP 67 Cb -0.01 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1aw0 s ASP 67 CO -0.00 -2.55 0.15 0.00 0.21 0.00 0.00 175.17 172.98 1aw0 s ALA 68 N 9.39 3.70 -0.00 5.23 0.00 -1.26 -1.23 121.76 137.59 1aw0 s ALA 68 Ca 0.67 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1aw0 s ALA 68 Cb -0.08 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1aw0 s ALA 68 CO 0.05 0.22 -0.01 0.95 0.00 0.00 0.00 175.76 176.97 1aw0 s THR 69 N 0.17 0.07 0.46 0.00 -4.23 -0.26 -4.97 115.64 106.89 1aw0 s THR 69 Ca 0.10 -0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.34 1aw0 s THR 69 Cb -0.11 -0.08 -0.08 0.00 1.34 0.00 0.00 72.50 73.57 1aw0 s THR 69 CO -0.00 0.03 1.33 -0.76 -0.54 0.00 0.00 174.62 174.68 1aw0 s LEU 70 N 0.06 4.08 -0.35 4.79 1.43 -1.26 -0.36 118.68 127.07 1aw0 s LEU 70 Ca -0.00 2.71 0.15 0.00 -1.03 0.00 0.00 54.13 55.96 1aw0 s LEU 70 Cb -0.01 -4.03 0.44 0.00 0.03 0.00 0.00 46.19 42.61 1aw0 s LEU 70 CO -0.00 -1.11 0.96 -0.24 0.23 0.00 0.00 176.35 176.18 1aw0 n SER 71 N -0.30 2.05 0.00 2.29 2.88 -0.53 -4.67 113.62 115.35 1aw0 n SER 71 Ca 0.06 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1aw0 n SER 71 Cb 0.44 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91