#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 0.03 0.11 1.96 -4.23 -1.26 -4.36 115.64 107.89 2aw0 s THR 2 Ca 0.00 -0.24 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 2aw0 s THR 2 Cb 0.00 -0.08 -0.04 0.00 1.34 0.00 0.00 72.50 73.72 2aw0 s THR 2 CO 0.00 -0.13 0.04 -1.10 -0.54 0.00 0.00 174.62 172.89 2aw0 s GLN 3 N -0.39 0.86 0.09 3.99 -0.21 -0.20 -4.93 119.66 118.86 2aw0 s GLN 3 Ca -0.04 -1.38 0.07 0.00 0.02 0.00 0.00 55.36 54.03 2aw0 s GLN 3 Cb -0.03 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 2aw0 s GLN 3 CO -0.00 -0.23 -0.18 -1.21 -2.12 0.00 0.00 175.29 171.55 2aw0 s GLU 4 N -4.01 1.00 0.01 2.91 2.02 -1.26 -1.13 118.70 118.24 2aw0 s GLU 4 Ca 0.20 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 2aw0 s GLU 4 Cb 0.07 -1.17 0.00 0.00 0.10 0.00 0.00 34.13 33.14 2aw0 s GLU 4 CO -0.01 0.27 0.14 -0.08 0.02 0.00 0.00 175.26 175.59 2aw0 s THR 5 N -1.21 0.09 -0.16 3.63 -1.32 -0.53 -5.02 115.64 111.12 2aw0 s THR 5 Ca 0.03 -0.71 -0.02 0.00 -1.21 0.00 0.00 61.69 59.78 2aw0 s THR 5 Cb -0.10 -0.46 -0.02 0.00 -1.51 0.00 0.00 72.50 70.42 2aw0 s THR 5 CO 0.03 -0.39 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.28 2aw0 s VAL 6 N -1.46 3.31 -0.16 5.08 1.01 0.19 -1.28 120.40 127.09 2aw0 s VAL 6 Ca -0.14 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2aw0 s VAL 6 Cb -0.07 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2aw0 s VAL 6 CO 0.01 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 2aw0 s ILE 7 N 0.66 1.87 0.02 2.22 1.01 -0.56 -0.97 121.20 125.45 2aw0 s ILE 7 Ca -0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.47 2aw0 s ILE 7 Cb -0.15 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2aw0 s ILE 7 CO 0.02 0.51 0.98 0.20 0.00 0.00 0.00 174.94 176.65 2aw0 s ASN 8 N 1.22 7.39 -0.36 3.58 0.01 0.04 -0.80 114.94 126.02 2aw0 s ASN 8 Ca 0.01 1.68 0.01 0.00 -0.71 0.00 0.00 52.86 53.86 2aw0 s ASN 8 Cb -0.14 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.06 2aw0 s ASN 8 CO -0.09 -0.23 0.13 -0.63 -1.51 0.00 0.00 177.10 174.77 2aw0 s ILE 9 N 0.85 1.45 0.13 0.60 1.01 -0.19 -1.16 121.20 123.89 2aw0 s ILE 9 Ca 0.51 -2.03 0.02 0.00 0.00 0.00 0.00 60.65 59.15 2aw0 s ILE 9 Cb -0.21 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2aw0 s ILE 9 CO 0.28 -0.72 0.28 1.51 0.00 0.00 0.00 174.94 176.29 2aw0 s ASP 10 N 1.02 6.35 0.00 3.58 -4.77 -0.89 -4.00 116.67 117.96 2aw0 s ASP 10 Ca 0.12 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.59 2aw0 s ASP 10 Cb -0.20 -1.93 0.00 0.00 -1.09 0.00 0.00 42.92 39.70 2aw0 s ASP 10 CO -0.13 0.07 0.00 0.61 0.70 0.00 0.00 175.17 176.42 2aw0 n GLY 11 N -0.37 0.84 3.66 2.12 0.00 -1.26 -1.82 105.19 108.36 2aw0 n GLY 11 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.99 4.28 -0.04 1.61 -1.94 -1.26 -4.94 119.30 116.02 2aw0 s MET 12 Ca 0.00 1.41 -0.12 0.00 -1.71 0.00 0.00 55.69 55.26 2aw0 s MET 12 Cb 0.00 -3.64 -0.32 0.00 2.01 0.00 0.00 34.83 32.88 2aw0 s MET 12 CO 0.00 -0.60 0.73 1.79 -0.01 0.00 0.00 175.02 176.93 2aw0 h THR 13 N 5.40 1.00 -3.09 2.05 1.35 -1.98 -3.50 112.91 114.15 2aw0 h THR 13 Ca -0.22 -2.54 -0.05 0.00 -0.55 0.00 0.00 66.41 63.05 2aw0 h THR 13 Cb 1.08 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 2aw0 h THR 13 CO 0.96 0.85 0.24 0.00 -0.25 0.00 0.00 175.52 177.32 2aw0 h ASN 15 N 2.01 0.00 -0.92 0.00 -0.73 -2.00 -1.82 115.58 112.11 2aw0 h ASN 15 Ca -0.33 0.00 0.14 0.00 1.87 0.00 0.00 56.30 57.97 2aw0 h ASN 15 Cb 1.25 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.75 2aw0 h ASN 15 CO 0.42 0.00 0.54 0.28 -0.37 0.00 0.00 177.43 178.30 2aw0 h SER 16 N 0.00 0.73 -0.13 1.15 0.02 -1.99 -0.58 113.55 112.75 2aw0 h SER 16 Ca 0.02 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2aw0 h SER 16 Cb 0.12 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2aw0 h SER 16 CO -0.00 0.35 0.05 0.00 -1.14 0.00 0.00 176.83 176.09 2aw0 h VAL 18 N 0.05 0.55 -0.26 0.00 2.07 -1.45 -0.78 116.25 116.42 2aw0 h VAL 18 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2aw0 h VAL 18 Cb 0.19 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2aw0 h VAL 18 CO -0.00 0.00 0.07 -0.61 0.02 0.00 0.00 177.57 177.05 2aw0 h GLN 19 N -0.21 0.42 -0.24 1.57 5.75 -1.08 -1.25 115.11 120.08 2aw0 h GLN 19 Ca 0.10 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2aw0 h GLN 19 Cb 0.36 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2aw0 h GLN 19 CO -0.26 0.51 0.13 0.66 -2.65 0.00 0.00 178.83 177.21 2aw0 h SER 20 N 0.26 0.29 0.21 -0.69 4.64 -0.95 -0.82 113.55 116.49 2aw0 h SER 20 Ca 0.08 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2aw0 h SER 20 Cb 0.27 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 2aw0 h SER 20 CO 0.00 0.29 -0.27 0.40 -0.87 0.00 0.00 176.83 176.38 2aw0 h ILE 21 N 0.27 0.42 -0.10 0.95 2.04 -1.10 -0.89 117.51 119.10 2aw0 h ILE 21 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2aw0 h ILE 21 Cb 0.06 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2aw0 h ILE 21 CO -0.01 0.00 -0.46 -0.08 0.00 0.00 0.00 178.15 177.60 2aw0 h GLU 22 N -0.53 -0.52 0.10 2.37 4.22 -1.04 -0.73 114.58 118.44 2aw0 h GLU 22 Ca 0.01 0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.50 2aw0 h GLU 22 Cb 0.52 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2aw0 h GLU 22 CO -0.10 -0.35 -0.19 0.78 -2.18 0.00 0.00 179.01 176.97 2aw0 h GLY 23 N -0.54 -0.35 0.76 1.92 0.00 -1.05 -2.40 103.07 101.40 2aw0 h GLY 23 Ca 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2aw0 h GLY 23 CO -0.39 -0.18 -0.01 -2.08 0.00 0.00 0.00 176.54 173.87 2aw0 h VAL 24 N -0.37 1.15 -0.22 4.60 2.07 -0.98 -3.08 116.25 119.41 2aw0 h VAL 24 Ca 0.03 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2aw0 h VAL 24 Cb 0.39 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2aw0 h VAL 24 CO -0.11 0.14 0.00 0.40 0.02 0.00 0.00 177.57 178.03 2aw0 h ILE 25 N -0.28 1.14 -0.00 4.57 5.03 -1.15 -1.70 117.51 125.12 2aw0 h ILE 25 Ca -0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 64.86 64.20 2aw0 h ILE 25 Cb 0.26 0.97 -0.00 0.00 -3.03 0.00 0.00 36.82 35.02 2aw0 h ILE 25 CO 0.01 0.18 0.24 0.28 -0.68 0.00 0.00 178.15 178.18 2aw0 h SER 26 N 0.32 0.00 0.59 1.72 0.02 -1.33 -1.81 113.55 113.05 2aw0 h SER 26 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2aw0 h SER 26 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2aw0 h SER 26 CO 0.00 0.00 -0.49 0.29 -1.14 0.00 0.00 176.83 175.49 2aw0 n LYS 27 N -2.95 0.05 -2.36 3.45 4.76 -0.64 -4.82 118.16 115.66 2aw0 n LYS 27 Ca -0.02 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2aw0 n LYS 27 Cb 0.30 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 2aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2aw0 s LYS 28 N -3.03 4.36 0.04 1.97 3.01 -0.68 -4.96 119.74 120.44 2aw0 s LYS 28 Ca 0.10 1.82 -0.37 0.00 -1.01 0.00 0.00 55.97 56.51 2aw0 s LYS 28 Cb 0.17 -3.46 -0.17 0.00 -1.01 0.00 0.00 37.83 33.36 2aw0 s LYS 28 CO 0.69 -0.42 1.36 -2.30 0.51 0.00 0.00 175.35 175.20 2aw0 n PRO 29 N 4.72 1.05 0.00 -1.68 -0.02 -1.26 -2.08 135.00 135.72 2aw0 n PRO 29 Ca 0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2aw0 n PRO 29 Cb 0.45 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2aw0 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw0 n GLY 30 N 2.62 2.57 3.76 -1.23 0.00 -1.26 -3.86 105.19 107.78 2aw0 n GLY 30 Ca 0.19 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.92 2.61 0.00 1.61 1.01 -0.88 -1.48 120.40 121.35 2aw0 s VAL 31 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2aw0 s VAL 31 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2aw0 s VAL 31 CO 0.00 0.10 0.00 0.29 0.00 0.00 0.00 175.10 175.49 2aw0 n LYS 32 N 1.72 0.00 -2.68 2.72 5.02 -0.21 -4.96 118.16 119.76 2aw0 n LYS 32 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 2aw0 n LYS 32 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.36 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 0.92 6.78 -0.14 4.39 1.04 -1.26 -4.92 113.70 120.52 2aw0 s SER 33 Ca 0.00 1.59 -0.12 0.00 0.48 0.00 0.00 55.95 57.89 2aw0 s SER 33 Cb 0.00 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.65 2aw0 s SER 33 CO 0.00 -0.44 0.37 -0.51 0.98 0.00 0.00 173.24 173.64 2aw0 s ILE 34 N -2.35 -0.00 -0.28 -1.02 2.07 -1.26 -1.17 121.20 117.19 2aw0 s ILE 34 Ca 0.60 0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2aw0 s ILE 34 Cb -0.09 -0.52 0.10 0.00 0.13 0.00 0.00 42.46 42.07 2aw0 s ILE 34 CO 0.21 0.00 0.12 -0.13 -1.91 0.00 0.00 174.94 173.24 2aw0 s ARG 35 N 0.33 0.25 0.01 3.50 3.00 -0.10 -5.02 118.95 120.92 2aw0 s ARG 35 Ca -0.01 -0.55 0.03 0.00 0.00 0.00 0.00 55.73 55.21 2aw0 s ARG 35 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 34.95 33.54 2aw0 s ARG 35 CO -0.01 -0.97 -0.06 0.08 0.00 0.00 0.00 175.30 174.34 2aw0 s VAL 36 N 2.04 3.72 -0.10 3.52 1.01 -1.26 -1.13 120.40 128.20 2aw0 s VAL 36 Ca 0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2aw0 s VAL 36 Cb -0.16 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.62 2aw0 s VAL 36 CO -0.32 0.36 0.24 -0.55 0.00 0.00 0.00 175.10 174.83 2aw0 s SER 37 N -1.53 -0.26 -0.01 3.32 0.15 -0.61 -5.01 113.70 109.75 2aw0 s SER 37 Ca 0.18 0.52 -0.24 0.00 0.70 0.00 0.00 55.95 57.10 2aw0 s SER 37 Cb -0.11 0.41 -0.19 0.00 -1.71 0.00 0.00 66.02 64.42 2aw0 s SER 37 CO 0.09 -0.16 1.26 0.25 1.20 0.00 0.00 173.24 175.88 2aw0 h LEU 38 N 7.07 0.12 -0.59 3.45 5.85 -1.94 -0.81 115.31 128.46 2aw0 h LEU 38 Ca -0.39 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 57.90 2aw0 h LEU 38 Cb 1.16 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 2aw0 h LEU 38 CO 0.37 0.62 0.18 0.00 -0.34 0.00 0.00 178.44 179.27 2aw0 h ALA 39 N 0.51 0.73 0.00 1.25 0.00 -1.97 -0.79 119.26 118.99 2aw0 h ALA 39 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2aw0 h ALA 39 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2aw0 h ALA 39 CO 0.01 -0.24 -0.48 0.09 0.00 0.00 0.00 179.25 178.63 2aw0 n ASN 40 N -5.05 0.48 -3.58 0.00 3.02 -1.25 -4.99 115.26 103.88 2aw0 n ASN 40 Ca 0.08 -0.19 -0.27 0.00 -0.03 0.00 0.00 54.58 54.17 2aw0 n ASN 40 Cb 0.28 0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.71 2aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aw0 n SER 41 N -1.52 -5.17 -3.85 6.41 7.64 -0.30 -4.89 113.62 111.93 2aw0 n SER 41 Ca 0.06 -0.93 -0.08 0.00 1.01 0.00 0.00 58.87 58.93 2aw0 n SER 41 Cb 0.34 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.55 -0.25 -0.14 6.43 4.22 -0.74 -1.02 114.94 119.89 2aw0 s ASN 42 Ca 0.42 -0.62 -0.03 0.00 -2.14 0.00 0.00 52.86 50.49 2aw0 s ASN 42 Cb -0.12 0.69 0.05 0.00 1.28 0.00 0.00 41.25 43.15 2aw0 s ASN 42 CO 0.83 -1.28 0.04 -0.83 -2.04 0.00 0.00 177.10 173.82 2aw0 s GLY 43 N -2.92 0.50 -0.19 0.45 0.00 0.02 -1.57 107.32 103.61 2aw0 s GLY 43 Ca 0.12 -0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.39 2aw0 s GLY 43 CO 0.06 1.43 0.14 -1.59 0.00 0.00 0.00 173.10 173.14 2aw0 s THR 44 N 1.99 5.41 -0.02 0.90 2.01 -0.28 -1.50 115.64 124.15 2aw0 s THR 44 Ca 0.02 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.26 2aw0 s THR 44 Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.89 2aw0 s THR 44 CO -0.07 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.57 2aw0 s VAL 45 N 0.25 0.49 -0.19 3.82 1.01 -0.41 -0.92 120.40 124.46 2aw0 s VAL 45 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2aw0 s VAL 45 Cb -0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 2aw0 s VAL 45 CO -0.01 0.17 0.11 -0.70 0.00 0.00 0.00 175.10 174.67 2aw0 s GLU 46 N 0.35 4.04 0.14 2.72 2.12 -0.32 -1.45 118.70 126.30 2aw0 s GLU 46 Ca -0.04 -0.25 -0.12 0.00 0.36 0.00 0.00 54.97 54.92 2aw0 s GLU 46 Cb -0.08 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2aw0 s GLU 46 CO -0.00 0.34 0.33 1.52 -0.54 0.00 0.00 175.26 176.92 2aw0 s TYR 47 N 0.21 0.08 -0.33 5.30 1.13 -0.28 -1.05 117.35 122.41 2aw0 s TYR 47 Ca 0.07 -0.44 -0.19 0.00 -1.41 0.00 0.00 57.07 55.09 2aw0 s TYR 47 Cb -0.11 0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 2aw0 s TYR 47 CO -0.01 -0.70 0.59 0.34 -2.51 0.00 0.00 175.55 173.26 2aw0 s ASP 48 N -2.88 6.42 0.40 -0.18 2.15 -0.55 -1.03 116.67 121.00 2aw0 s ASP 48 Ca 0.09 0.22 0.19 0.00 0.43 0.00 0.00 52.55 53.48 2aw0 s ASP 48 Cb 0.03 -2.31 1.11 0.00 -0.30 0.00 0.00 42.92 41.45 2aw0 s ASP 48 CO -0.07 -0.50 1.76 -0.65 -0.17 0.00 0.00 175.17 175.55 2aw0 h PRO 49 N 8.34 0.37 0.00 4.34 0.11 -1.77 -0.90 132.00 142.49 2aw0 h PRO 49 Ca -0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2aw0 h PRO 49 Cb 1.12 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2aw0 h PRO 49 CO 0.80 0.25 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.56 2aw0 h LEU 50 N 0.38 0.00 0.00 2.35 3.38 -1.94 -3.29 115.31 116.19 2aw0 h LEU 50 Ca 0.61 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.42 2aw0 h LEU 50 Cb 1.55 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 2aw0 h LEU 50 CO -0.31 0.21 -1.68 0.18 0.09 0.00 0.00 178.44 176.92 2aw0 n LEU 51 N -4.14 0.00 -3.99 1.67 4.77 -0.69 -5.07 117.00 109.55 2aw0 n LEU 51 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2aw0 n LEU 51 Cb 0.27 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2aw0 n LEU 51 CO 0.36 0.22 0.28 0.28 -1.33 0.00 0.00 177.39 177.20 2aw0 s THR 52 N -2.32 0.00 0.16 -5.08 -1.32 -0.43 -4.79 115.64 101.86 2aw0 s THR 52 Ca -0.05 -1.38 -0.12 0.00 -1.21 0.00 0.00 61.69 58.93 2aw0 s THR 52 Cb 0.04 -2.73 0.01 0.00 -1.51 0.00 0.00 72.50 68.31 2aw0 s THR 52 CO 0.43 0.00 0.35 -0.94 -2.21 0.00 0.00 174.62 172.25 2aw0 s SER 53 N -3.18 -0.06 0.32 8.08 1.04 -1.26 -3.75 113.70 114.90 2aw0 s SER 53 Ca 0.25 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 56.06 2aw0 s SER 53 Cb -0.02 0.47 0.72 0.00 0.10 0.00 0.00 66.02 67.28 2aw0 s SER 53 CO 0.17 -0.91 1.85 -0.65 0.98 0.00 0.00 173.24 174.67 2aw0 h PRO 54 N 2.45 0.78 -0.29 4.02 0.11 -1.99 -0.91 132.00 136.18 2aw0 h PRO 54 Ca -0.31 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 2aw0 h PRO 54 Cb 1.24 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2aw0 h PRO 54 CO 0.46 0.52 0.01 0.93 -0.21 0.00 0.00 178.00 179.71 2aw0 h GLU 55 N 0.81 0.51 -0.24 1.05 3.07 -1.98 -0.23 114.58 117.56 2aw0 h GLU 55 Ca 0.48 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2aw0 h GLU 55 Cb 0.67 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2aw0 h GLU 55 CO -0.25 0.65 0.13 1.15 -1.40 0.00 0.00 179.01 179.29 2aw0 h THR 56 N 0.30 1.13 0.02 1.13 2.02 -1.82 -0.30 112.91 115.39 2aw0 h THR 56 Ca 0.08 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2aw0 h THR 56 Cb 0.42 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2aw0 h THR 56 CO 0.01 0.12 -0.01 -0.07 0.37 0.00 0.00 175.52 175.95 2aw0 h LEU 57 N 0.28 -0.02 -0.68 2.58 3.38 -1.11 -0.82 115.31 118.92 2aw0 h LEU 57 Ca 0.09 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.17 2aw0 h LEU 57 Cb 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.75 2aw0 h LEU 57 CO -0.01 -0.01 0.24 -0.09 0.09 0.00 0.00 178.44 178.66 2aw0 h ARG 58 N -0.03 0.37 -0.64 1.13 2.43 -0.97 -1.31 114.38 115.37 2aw0 h ARG 58 Ca -0.00 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 2aw0 h ARG 58 Cb 0.02 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 2aw0 h ARG 58 CO 0.00 0.25 0.26 0.78 -1.51 0.00 0.00 179.97 179.75 2aw0 h GLY 59 N 0.39 0.92 0.93 2.80 0.00 -0.31 -0.11 103.07 107.68 2aw0 h GLY 59 Ca 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2aw0 h GLY 59 CO -0.38 -0.01 0.10 0.00 0.00 0.00 0.00 176.54 176.24 2aw0 h ALA 60 N 1.43 0.23 -0.46 3.60 0.00 -0.06 -0.00 119.26 124.01 2aw0 h ALA 60 Ca 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2aw0 h ALA 60 Cb 0.40 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2aw0 h ALA 60 CO -0.31 -0.23 0.30 0.82 0.00 0.00 0.00 179.25 179.83 2aw0 h ILE 61 N 0.18 1.10 -0.83 0.00 1.08 -1.04 -1.17 117.51 116.83 2aw0 h ILE 61 Ca 0.06 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2aw0 h ILE 61 Cb 0.09 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 2aw0 h ILE 61 CO -0.01 0.11 0.55 -0.08 -0.69 0.00 0.00 178.15 178.03 2aw0 h GLU 62 N 0.60 1.09 -0.47 2.37 4.81 -0.83 -0.89 114.58 121.26 2aw0 h GLU 62 Ca 0.17 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2aw0 h GLU 62 Cb -0.04 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 2aw0 h GLU 62 CO -0.05 0.72 0.22 0.22 -0.73 0.00 0.00 179.01 179.38 2aw0 h ASP 63 N 1.12 0.62 -0.86 1.04 3.58 -0.64 -2.69 116.42 118.58 2aw0 h ASP 63 Ca 0.30 -0.14 0.03 0.00 0.42 0.00 0.00 57.03 57.65 2aw0 h ASP 63 Cb -0.13 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.71 2aw0 h ASP 63 CO -0.07 0.58 0.56 0.24 -2.88 0.00 0.00 179.24 177.68 2aw0 h MET 64 N 0.61 1.06 0.00 0.28 2.86 -0.76 -3.47 114.93 115.51 2aw0 h MET 64 Ca 0.16 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2aw0 h MET 64 Cb 0.14 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2aw0 h MET 64 CO -0.02 0.70 0.00 0.41 1.06 0.00 0.00 176.91 179.06 2aw0 n GLY 65 N -1.33 0.38 3.04 8.32 0.00 -0.38 -5.11 105.19 110.12 2aw0 n GLY 65 Ca 0.11 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.37 -0.87 1.61 0.08 -1.14 -5.01 117.98 113.03 2aw0 s PHE 66 Ca 0.00 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 56.03 2aw0 s PHE 66 Cb 0.00 -0.27 0.03 0.00 -0.57 0.00 0.00 43.02 42.21 2aw0 s PHE 66 CO 0.00 -0.30 1.43 0.34 -0.10 0.00 0.00 175.22 176.60 2aw0 s ASP 67 N -2.19 6.19 -0.23 1.36 2.15 -0.76 -4.10 116.67 119.10 2aw0 s ASP 67 Ca -0.04 -0.86 -0.11 0.00 0.43 0.00 0.00 52.55 51.97 2aw0 s ASP 67 Cb -0.01 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 2aw0 s ASP 67 CO -0.05 -1.78 0.16 0.00 -0.17 0.00 0.00 175.17 173.32 2aw0 s ALA 68 N 5.89 3.63 -0.03 3.66 0.00 -1.26 -2.09 121.76 131.56 2aw0 s ALA 68 Ca 0.44 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2aw0 s ALA 68 Cb -0.05 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.80 2aw0 s ALA 68 CO 0.03 -0.09 -0.02 0.95 0.00 0.00 0.00 175.76 176.63 2aw0 s THR 69 N 0.86 0.32 0.08 0.00 -4.23 -0.31 -4.97 115.64 107.39 2aw0 s THR 69 Ca 0.08 -0.03 -0.31 0.00 -1.18 0.00 0.00 61.69 60.25 2aw0 s THR 69 Cb -0.13 -0.37 -0.09 0.00 1.34 0.00 0.00 72.50 73.26 2aw0 s THR 69 CO 0.03 0.16 1.76 -0.76 -0.54 0.00 0.00 174.62 175.26 2aw0 s LEU 70 N 0.77 4.38 -0.24 4.79 1.43 -1.26 -0.78 118.68 127.78 2aw0 s LEU 70 Ca -0.09 2.60 -0.16 0.00 -1.03 0.00 0.00 54.13 55.45 2aw0 s LEU 70 Cb -0.12 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.43 2aw0 s LEU 70 CO -0.01 -0.95 -0.24 -0.24 0.23 0.00 0.00 176.35 175.14 2aw0 n SER 71 N 5.95 1.93 0.00 2.29 2.88 -0.14 -4.85 113.62 121.67 2aw0 n SER 71 Ca 0.17 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2aw0 n SER 71 Cb 0.40 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 2aw0 n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28