#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw0 s THR 2 N 0.00 0.86 0.25 1.96 -4.23 -1.26 -4.26 115.64 108.95 2aw0 s THR 2 Ca 0.00 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2aw0 s THR 2 Cb 0.00 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 2aw0 s THR 2 CO 0.00 -0.77 0.21 -1.10 -0.54 0.00 0.00 174.62 172.43 2aw0 s GLN 3 N -3.54 1.43 0.00 3.99 -0.21 -0.30 -4.97 119.66 116.06 2aw0 s GLN 3 Ca 0.11 -1.73 0.07 0.00 0.02 0.00 0.00 55.36 53.83 2aw0 s GLN 3 Cb 0.03 0.31 -0.02 0.00 1.00 0.00 0.00 33.01 34.32 2aw0 s GLN 3 CO -0.02 -0.50 -0.21 -2.00 -2.12 0.00 0.00 175.29 170.43 2aw0 s GLU 4 N -3.88 1.61 -0.05 2.91 2.12 -1.26 -1.15 118.70 119.00 2aw0 s GLU 4 Ca 0.38 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.92 2aw0 s GLU 4 Cb 0.05 -1.61 0.01 0.00 0.26 0.00 0.00 34.13 32.84 2aw0 s GLU 4 CO 0.17 0.43 -0.10 -0.08 -0.54 0.00 0.00 175.26 175.15 2aw0 s THR 5 N -0.59 0.92 -0.48 -1.70 -1.32 -0.41 -5.00 115.64 107.06 2aw0 s THR 5 Ca 0.08 -0.36 -0.16 0.00 -1.21 0.00 0.00 61.69 60.04 2aw0 s THR 5 Cb -0.08 -0.86 0.08 0.00 -1.51 0.00 0.00 72.50 70.12 2aw0 s THR 5 CO 0.00 0.30 0.40 -0.69 -2.21 0.00 0.00 174.62 172.43 2aw0 s VAL 6 N 0.66 5.23 -0.23 5.08 1.01 -1.26 -1.31 120.40 129.57 2aw0 s VAL 6 Ca -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.68 2aw0 s VAL 6 Cb -0.14 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2aw0 s VAL 6 CO 0.02 -0.60 0.15 -0.63 0.00 0.00 0.00 175.10 174.05 2aw0 s ILE 7 N 1.66 5.37 0.05 2.22 1.01 -0.46 -1.80 121.20 129.24 2aw0 s ILE 7 Ca 0.04 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 2aw0 s ILE 7 Cb -0.24 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2aw0 s ILE 7 CO 0.07 0.36 1.17 0.20 0.00 0.00 0.00 174.94 176.74 2aw0 s ASN 8 N 0.92 7.12 -0.45 3.58 0.01 0.20 -0.65 114.94 125.67 2aw0 s ASN 8 Ca 0.08 1.95 0.02 0.00 -0.71 0.00 0.00 52.86 54.20 2aw0 s ASN 8 Cb -0.13 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.09 2aw0 s ASN 8 CO 0.03 -0.45 0.24 -0.63 -1.51 0.00 0.00 177.10 174.78 2aw0 s ILE 9 N 1.12 1.58 0.27 0.60 1.01 -0.25 -2.01 121.20 123.52 2aw0 s ILE 9 Ca 0.58 -2.64 0.05 0.00 0.00 0.00 0.00 60.65 58.64 2aw0 s ILE 9 Cb -0.28 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2aw0 s ILE 9 CO 0.29 -0.87 0.39 -1.81 0.00 0.00 0.00 174.94 172.94 2aw0 s ASP 10 N 0.29 6.24 0.00 3.58 1.01 -0.94 -3.88 116.67 122.97 2aw0 s ASP 10 Ca 0.17 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.47 2aw0 s ASP 10 Cb -0.25 -1.74 0.00 0.00 1.01 0.00 0.00 42.92 41.95 2aw0 s ASP 10 CO -0.00 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.83 2aw0 n GLY 11 N -1.48 0.46 3.71 0.21 0.00 -1.26 -1.13 105.19 105.69 2aw0 n GLY 11 Ca -0.07 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2aw0 n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aw0 s MET 12 N -2.01 4.56 -0.12 1.61 -1.94 -1.26 -4.91 119.30 115.23 2aw0 s MET 12 Ca 0.00 1.43 -0.21 0.00 -1.71 0.00 0.00 55.69 55.20 2aw0 s MET 12 Cb 0.00 -3.46 -0.26 0.00 2.01 0.00 0.00 34.83 33.12 2aw0 s MET 12 CO 0.00 -0.05 0.60 1.15 -0.01 0.00 0.00 175.02 176.70 2aw0 h THR 13 N 4.79 1.25 -2.62 2.05 2.02 -1.99 -3.50 112.91 114.91 2aw0 h THR 13 Ca -0.41 -2.37 0.12 0.00 0.77 0.00 0.00 66.41 64.51 2aw0 h THR 13 Cb 1.22 2.85 -0.04 0.00 -1.74 0.00 0.00 68.15 70.44 2aw0 h THR 13 CO 0.75 0.62 0.46 0.00 0.37 0.00 0.00 175.52 177.72 2aw0 h ASN 15 N 2.00 0.47 -0.95 0.00 -0.73 -2.00 -0.67 115.58 113.70 2aw0 h ASN 15 Ca -0.27 0.05 0.20 0.00 1.87 0.00 0.00 56.30 58.15 2aw0 h ASN 15 Cb 1.23 -0.04 -0.11 0.00 0.27 0.00 0.00 38.32 39.67 2aw0 h ASN 15 CO 0.33 0.19 0.53 0.77 -0.37 0.00 0.00 177.43 178.88 2aw0 h SER 16 N 0.47 0.63 -0.07 1.15 4.64 -1.99 -0.10 113.55 118.28 2aw0 h SER 16 Ca 0.48 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.91 2aw0 h SER 16 Cb 1.10 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2aw0 h SER 16 CO -0.20 0.18 0.02 0.00 -0.87 0.00 0.00 176.83 175.95 2aw0 h VAL 18 N -0.10 0.37 -0.58 0.00 2.07 -1.18 -0.52 116.25 116.32 2aw0 h VAL 18 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2aw0 h VAL 18 Cb 0.23 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2aw0 h VAL 18 CO -0.00 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.42 2aw0 h GLN 19 N -0.32 0.84 0.32 1.57 1.08 -1.07 -1.21 115.11 116.32 2aw0 h GLN 19 Ca 0.11 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2aw0 h GLN 19 Cb 0.49 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2aw0 h GLN 19 CO -0.35 0.69 -0.17 1.03 -0.95 0.00 0.00 178.83 179.08 2aw0 h SER 20 N 0.79 -0.42 0.02 1.46 0.87 -0.77 -0.39 113.55 115.11 2aw0 h SER 20 Ca 0.20 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2aw0 h SER 20 Cb 0.13 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2aw0 h SER 20 CO -0.02 -0.28 -0.16 0.40 -0.53 0.00 0.00 176.83 176.24 2aw0 h ILE 21 N -0.46 0.62 -0.03 2.23 2.04 -1.04 -1.11 117.51 119.77 2aw0 h ILE 21 Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2aw0 h ILE 21 Cb 0.36 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2aw0 h ILE 21 CO 0.05 0.00 -0.31 -0.08 0.00 0.00 0.00 178.15 177.81 2aw0 h GLU 22 N -0.27 -0.43 0.17 2.37 4.22 -1.13 -1.11 114.58 118.39 2aw0 h GLU 22 Ca 0.04 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.52 2aw0 h GLU 22 Cb 0.33 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2aw0 h GLU 22 CO -0.14 -0.29 -0.21 0.78 -2.18 0.00 0.00 179.01 176.98 2aw0 h GLY 23 N -0.45 -0.43 0.86 1.92 0.00 -0.89 -0.73 103.07 103.36 2aw0 h GLY 23 Ca 0.07 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.65 2aw0 h GLY 23 CO -0.28 -0.20 -0.04 -2.08 0.00 0.00 0.00 176.54 173.94 2aw0 h VAL 24 N -0.43 0.88 -0.41 4.60 2.07 -1.08 -3.14 116.25 118.74 2aw0 h VAL 24 Ca 0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2aw0 h VAL 24 Cb 0.42 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2aw0 h VAL 24 CO -0.07 0.00 -0.24 0.40 0.02 0.00 0.00 177.57 177.68 2aw0 h ILE 25 N -0.07 1.28 -0.22 4.57 2.04 -1.13 -3.06 117.51 120.91 2aw0 h ILE 25 Ca 0.02 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.56 2aw0 h ILE 25 Cb 0.10 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2aw0 h ILE 25 CO -0.06 0.47 0.27 0.77 0.00 0.00 0.00 178.15 179.59 2aw0 h SER 26 N 0.70 0.00 0.46 1.72 4.64 -1.08 -1.37 113.55 118.62 2aw0 h SER 26 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2aw0 h SER 26 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2aw0 h SER 26 CO 0.07 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.92 2aw0 n LYS 27 N -3.70 0.24 -2.29 4.77 5.02 -1.15 -4.79 118.16 116.26 2aw0 n LYS 27 Ca 0.03 -0.13 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 2aw0 n LYS 27 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aw0 s LYS 28 N -2.85 4.41 0.13 1.97 1.02 -0.52 -4.97 119.74 118.93 2aw0 s LYS 28 Ca 0.15 1.98 -0.31 0.00 0.02 0.00 0.00 55.97 57.82 2aw0 s LYS 28 Cb 0.18 -3.04 -0.09 0.00 -0.52 0.00 0.00 37.83 34.36 2aw0 s LYS 28 CO 0.63 -0.05 1.52 -1.25 -0.92 0.00 0.00 175.35 175.28 2aw0 s PRO 29 N -1.75 4.25 0.00 -1.68 0.04 -1.26 -2.30 135.00 132.29 2aw0 s PRO 29 Ca 0.49 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2aw0 s PRO 29 Cb -0.35 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2aw0 s PRO 29 CO 0.46 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2aw0 n GLY 30 N 3.71 3.00 3.75 0.56 0.00 -1.26 -4.12 105.19 110.84 2aw0 n GLY 30 Ca 0.13 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2aw0 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw0 s VAL 31 N -0.67 3.16 0.00 1.61 1.01 -0.97 -1.27 120.40 123.27 2aw0 s VAL 31 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2aw0 s VAL 31 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2aw0 s VAL 31 CO 0.00 0.22 0.00 0.29 0.00 0.00 0.00 175.10 175.61 2aw0 n LYS 32 N 1.62 0.00 -3.15 2.72 5.02 -0.42 -4.86 118.16 119.10 2aw0 n LYS 32 Ca 0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.02 2aw0 n LYS 32 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 2aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2aw0 s SER 33 N 0.42 6.44 -0.10 4.39 1.04 -1.25 -4.94 113.70 119.70 2aw0 s SER 33 Ca 0.00 0.83 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 2aw0 s SER 33 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.96 2aw0 s SER 33 CO 0.00 -0.29 0.37 -0.51 0.98 0.00 0.00 173.24 173.79 2aw0 s ILE 34 N -2.23 0.02 -0.25 -1.02 2.07 -1.26 -1.26 121.20 117.26 2aw0 s ILE 34 Ca 0.46 -0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.56 2aw0 s ILE 34 Cb -0.10 -0.57 0.08 0.00 0.13 0.00 0.00 42.46 41.99 2aw0 s ILE 34 CO 0.32 -0.07 0.03 -0.13 -1.91 0.00 0.00 174.94 173.18 2aw0 s ARG 35 N -0.26 0.99 -0.12 3.50 3.00 -0.40 -5.01 118.95 120.65 2aw0 s ARG 35 Ca -0.04 -0.89 -0.10 0.00 0.00 0.00 0.00 55.73 54.70 2aw0 s ARG 35 Cb -0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 34.95 32.61 2aw0 s ARG 35 CO 0.02 -0.77 0.22 0.08 0.00 0.00 0.00 175.30 174.85 2aw0 s VAL 36 N 1.59 5.37 -0.03 3.52 1.01 -1.26 -1.14 120.40 129.46 2aw0 s VAL 36 Ca 0.02 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 2aw0 s VAL 36 Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2aw0 s VAL 36 CO -0.14 0.54 0.03 -0.55 0.00 0.00 0.00 175.10 174.98 2aw0 s SER 37 N -0.52 0.53 0.05 3.32 0.15 -0.65 -5.01 113.70 111.57 2aw0 s SER 37 Ca 0.16 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.63 2aw0 s SER 37 Cb -0.13 -0.16 -0.13 0.00 -1.71 0.00 0.00 66.02 63.89 2aw0 s SER 37 CO 0.05 -0.15 1.36 0.25 1.20 0.00 0.00 173.24 175.94 2aw0 h LEU 38 N 7.62 0.43 -0.55 3.45 5.85 -1.96 0.53 115.31 130.69 2aw0 h LEU 38 Ca -0.35 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 57.99 2aw0 h LEU 38 Cb 1.12 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 2aw0 h LEU 38 CO 0.39 0.82 0.11 0.00 -0.34 0.00 0.00 178.44 179.42 2aw0 h ALA 39 N 0.63 0.63 0.00 1.25 0.00 -1.97 -1.20 119.26 118.59 2aw0 h ALA 39 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2aw0 h ALA 39 Cb 0.69 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2aw0 h ALA 39 CO 0.04 -0.30 -0.58 0.09 0.00 0.00 0.00 179.25 178.50 2aw0 n ASN 40 N -5.12 0.57 -3.57 0.00 4.13 -1.25 -4.99 115.26 105.04 2aw0 n ASN 40 Ca 0.07 -0.07 -0.25 0.00 1.68 0.00 0.00 54.58 56.01 2aw0 n ASN 40 Cb 0.28 0.24 0.05 0.00 -1.54 0.00 0.00 39.78 38.80 2aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2aw0 n SER 41 N -1.79 -4.90 -3.57 6.41 7.64 0.09 -4.91 113.62 112.59 2aw0 n SER 41 Ca 0.04 -0.90 -0.09 0.00 1.01 0.00 0.00 58.87 58.94 2aw0 n SER 41 Cb 0.39 -4.02 -0.02 0.00 -1.01 0.00 0.00 64.21 59.55 2aw0 n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2aw0 s ASN 42 N -3.62 -0.00 -0.17 6.43 4.22 -0.70 -1.09 114.94 120.01 2aw0 s ASN 42 Ca 0.38 -0.94 -0.03 0.00 -2.14 0.00 0.00 52.86 50.13 2aw0 s ASN 42 Cb -0.11 0.72 0.06 0.00 1.28 0.00 0.00 41.25 43.20 2aw0 s ASN 42 CO 0.82 -1.38 0.05 -0.83 -2.04 0.00 0.00 177.10 173.72 2aw0 s GLY 43 N -3.02 0.57 -0.53 0.45 0.00 0.18 -1.63 107.32 103.33 2aw0 s GLY 43 Ca 0.18 -0.51 -0.16 0.00 0.00 0.00 0.00 44.72 44.22 2aw0 s GLY 43 CO 0.10 1.50 0.50 -1.59 0.00 0.00 0.00 173.10 173.61 2aw0 s THR 44 N 1.96 5.16 -0.18 0.90 2.01 -0.29 -1.35 115.64 123.85 2aw0 s THR 44 Ca 0.01 -1.31 -0.03 0.00 0.31 0.00 0.00 61.69 60.67 2aw0 s THR 44 Cb -0.16 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 2aw0 s THR 44 CO -0.08 -0.82 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.29 2aw0 s VAL 45 N 1.76 3.55 -0.14 3.82 1.01 -0.43 -1.27 120.40 128.70 2aw0 s VAL 45 Ca 0.05 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2aw0 s VAL 45 Cb -0.28 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2aw0 s VAL 45 CO 0.05 0.46 0.51 -1.61 0.00 0.00 0.00 175.10 174.51 2aw0 s GLU 46 N 0.88 4.29 0.19 2.72 2.02 -0.39 -1.29 118.70 127.13 2aw0 s GLU 46 Ca -0.01 0.48 -0.08 0.00 0.02 0.00 0.00 54.97 55.38 2aw0 s GLU 46 Cb -0.15 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 2aw0 s GLU 46 CO 0.01 0.03 0.29 1.52 0.02 0.00 0.00 175.26 177.13 2aw0 s TYR 47 N 1.02 0.55 -0.35 1.61 1.13 -0.30 -1.29 117.35 119.71 2aw0 s TYR 47 Ca 0.26 -0.89 -0.10 0.00 -1.41 0.00 0.00 57.07 54.94 2aw0 s TYR 47 Cb -0.15 -0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.62 2aw0 s TYR 47 CO 0.11 -0.76 0.17 0.34 -2.51 0.00 0.00 175.55 172.90 2aw0 s ASP 48 N -3.02 5.59 0.40 -0.18 -1.08 -0.40 -1.15 116.67 116.83 2aw0 s ASP 48 Ca 0.23 -0.94 0.21 0.00 -0.52 0.00 0.00 52.55 51.53 2aw0 s ASP 48 Cb 0.03 -1.98 1.21 0.00 -1.46 0.00 0.00 42.92 40.72 2aw0 s ASP 48 CO 0.04 -0.34 1.69 -0.65 0.52 0.00 0.00 175.17 176.43 2aw0 h PRO 49 N 8.37 0.26 -0.02 4.34 0.11 -1.74 -0.89 132.00 142.42 2aw0 h PRO 49 Ca -0.26 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 2aw0 h PRO 49 Cb 1.11 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2aw0 h PRO 49 CO 0.64 0.17 -0.51 -0.07 -0.21 0.00 0.00 178.00 178.03 2aw0 h LEU 50 N 0.26 0.06 0.00 2.35 4.07 -1.95 -3.33 115.31 116.78 2aw0 h LEU 50 Ca 0.72 -0.03 -0.37 0.00 0.08 0.00 0.00 57.88 58.27 2aw0 h LEU 50 Cb 1.94 -0.02 -0.07 0.00 1.08 0.00 0.00 40.66 43.59 2aw0 h LEU 50 CO -0.43 0.56 -2.41 0.18 -1.08 0.00 0.00 178.44 175.26 2aw0 n LEU 51 N -3.94 0.71 -4.03 1.67 4.77 -0.54 -5.03 117.00 110.62 2aw0 n LEU 51 Ca -0.02 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 2aw0 n LEU 51 Cb 0.53 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2aw0 n LEU 51 CO 0.41 0.60 0.12 0.28 -1.33 0.00 0.00 177.39 177.47 2aw0 s THR 52 N -2.50 0.00 0.11 -5.08 -1.32 -0.45 -4.75 115.64 101.65 2aw0 s THR 52 Ca -0.16 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2aw0 s THR 52 Cb 0.07 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 2aw0 s THR 52 CO 0.78 0.00 -0.01 -0.94 -2.21 0.00 0.00 174.62 172.23 2aw0 s SER 53 N -3.05 0.76 0.31 8.08 1.04 -1.26 -3.63 113.70 115.95 2aw0 s SER 53 Ca 0.25 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.65 2aw0 s SER 53 Cb 0.00 0.18 0.71 0.00 0.10 0.00 0.00 66.02 67.01 2aw0 s SER 53 CO 0.10 -0.59 1.82 -0.65 0.98 0.00 0.00 173.24 174.90 2aw0 h PRO 54 N 2.94 0.79 -0.48 4.02 0.11 -1.99 -1.84 132.00 135.56 2aw0 h PRO 54 Ca -0.35 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.58 2aw0 h PRO 54 Cb 1.17 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2aw0 h PRO 54 CO 0.63 0.52 -0.23 0.93 -0.21 0.00 0.00 178.00 179.65 2aw0 h GLU 55 N 0.82 1.00 0.04 1.05 5.08 -1.98 -0.03 114.58 120.55 2aw0 h GLU 55 Ca 0.52 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aw0 h GLU 55 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2aw0 h GLU 55 CO -0.29 1.11 -0.02 1.15 -1.00 0.00 0.00 179.01 179.97 2aw0 h THR 56 N 0.86 0.98 -0.01 1.13 2.02 -1.82 -0.36 112.91 115.70 2aw0 h THR 56 Ca 0.11 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2aw0 h THR 56 Cb 0.81 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2aw0 h THR 56 CO 0.07 0.01 -0.01 -0.07 0.37 0.00 0.00 175.52 175.89 2aw0 h LEU 57 N -0.07 -0.04 -0.46 2.58 3.38 -1.26 -1.09 115.31 118.36 2aw0 h LEU 57 Ca -0.00 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2aw0 h LEU 57 Cb 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2aw0 h LEU 57 CO 0.01 -0.02 -0.00 -0.09 0.09 0.00 0.00 178.44 178.43 2aw0 h ARG 58 N -0.02 0.11 -0.46 1.13 2.43 -0.95 -1.15 114.38 115.47 2aw0 h ARG 58 Ca 0.01 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2aw0 h ARG 58 Cb 0.03 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2aw0 h ARG 58 CO -0.02 0.07 0.20 0.78 -1.51 0.00 0.00 179.97 179.49 2aw0 h GLY 59 N 0.11 0.63 0.96 2.80 0.00 -0.67 -0.42 103.07 106.48 2aw0 h GLY 59 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2aw0 h GLY 59 CO -0.38 0.07 0.21 0.00 0.00 0.00 0.00 176.54 176.44 2aw0 h ALA 60 N 1.27 0.60 -0.44 3.60 0.00 -0.66 -0.09 119.26 123.55 2aw0 h ALA 60 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2aw0 h ALA 60 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2aw0 h ALA 60 CO -0.18 0.19 0.24 0.82 0.00 0.00 0.00 179.25 180.32 2aw0 h ILE 61 N 0.61 1.15 -0.80 0.00 2.04 -0.93 -0.64 117.51 118.94 2aw0 h ILE 61 Ca 0.16 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2aw0 h ILE 61 Cb 0.15 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2aw0 h ILE 61 CO -0.02 0.16 0.52 -0.08 0.00 0.00 0.00 178.15 178.74 2aw0 h GLU 62 N 0.57 1.02 -0.47 2.37 4.81 -0.88 -1.14 114.58 120.86 2aw0 h GLU 62 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2aw0 h GLU 62 Cb 0.04 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2aw0 h GLU 62 CO -0.03 0.67 0.22 0.22 -0.73 0.00 0.00 179.01 179.37 2aw0 h ASP 63 N 1.05 0.62 -0.66 1.04 3.58 -0.60 -2.35 116.42 119.10 2aw0 h ASP 63 Ca 0.31 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.63 2aw0 h ASP 63 Cb -0.07 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 2aw0 h ASP 63 CO -0.08 0.57 0.44 0.24 -2.88 0.00 0.00 179.24 177.52 2aw0 h MET 64 N 0.61 0.86 0.00 0.28 2.86 -0.78 -3.47 114.93 115.29 2aw0 h MET 64 Ca 0.16 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2aw0 h MET 64 Cb 0.12 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2aw0 h MET 64 CO -0.02 0.57 0.00 0.41 1.06 0.00 0.00 176.91 178.93 2aw0 n GLY 65 N -1.44 0.47 3.08 8.32 0.00 -0.46 -5.10 105.19 110.06 2aw0 n GLY 65 Ca 0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 2aw0 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aw0 s PHE 66 N -0.40 0.46 -0.85 1.61 0.08 -1.09 -4.97 117.98 112.82 2aw0 s PHE 66 Ca 0.00 -0.97 -0.25 0.00 0.12 0.00 0.00 56.93 55.83 2aw0 s PHE 66 Cb 0.00 -0.35 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2aw0 s PHE 66 CO 0.00 -0.36 1.60 -0.51 -0.10 0.00 0.00 175.22 175.84 2aw0 s ASP 67 N -2.72 5.87 -0.38 1.36 1.01 -0.29 -4.06 116.67 117.46 2aw0 s ASP 67 Ca 0.04 -0.70 -0.15 0.00 0.71 0.00 0.00 52.55 52.46 2aw0 s ASP 67 Cb 0.05 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.43 2aw0 s ASP 67 CO -0.09 -2.04 0.30 0.00 0.21 0.00 0.00 175.17 173.55 2aw0 s ALA 68 N 7.10 3.48 -0.05 5.23 0.00 -1.26 -2.22 121.76 134.05 2aw0 s ALA 68 Ca 0.53 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 2aw0 s ALA 68 Cb -0.06 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2aw0 s ALA 68 CO 0.04 -1.29 0.11 0.95 0.00 0.00 0.00 175.76 175.57 2aw0 s THR 69 N 1.76 -0.04 0.60 0.00 -4.23 -0.85 -4.95 115.64 107.94 2aw0 s THR 69 Ca 0.06 0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.52 2aw0 s THR 69 Cb -0.18 -0.18 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 2aw0 s THR 69 CO 0.11 0.05 1.21 -0.76 -0.54 0.00 0.00 174.62 174.69 2aw0 s LEU 70 N 0.82 3.64 -0.00 4.79 1.43 -1.26 -0.63 118.68 127.47 2aw0 s LEU 70 Ca -0.06 2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.19 2aw0 s LEU 70 Cb -0.09 -4.60 -0.16 0.00 0.03 0.00 0.00 46.19 41.38 2aw0 s LEU 70 CO -0.04 -1.64 1.14 0.77 0.23 0.00 0.00 176.35 176.81 2aw0 h SER 71 N 0.81 -0.36 0.00 2.29 4.64 -1.73 -3.45 113.55 115.76 2aw0 h SER 71 Ca -0.50 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2aw0 h SER 71 Cb 1.30 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2aw0 h SER 71 CO 0.55 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 177.02