#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 0.25 0.34 -5.08 -4.23 -1.26 -4.23 115.64 101.43 2aw0 s THR 2 Ca 0.00 -0.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 2aw0 s THR 2 Cb 0.00 -1.15 -0.07 0.00 1.34 0.00 0.00 72.50 72.62 2aw0 s THR 2 CO 0.00 -0.64 0.03 -1.10 -0.54 0.00 0.00 174.62 172.37 2aw0 s GLN 3 N 1.94 1.72 0.05 3.99 1.11 -0.44 -5.01 119.66 123.02 2aw0 s GLN 3 Ca 0.08 -1.95 0.04 0.00 0.01 0.00 0.00 55.36 53.55 2aw0 s GLN 3 Cb -0.16 -1.11 -0.02 0.00 -1.01 0.00 0.00 33.01 30.70 2aw0 s GLN 3 CO -0.29 -0.12 -0.12 -1.21 0.01 0.00 0.00 175.29 173.56 2aw0 s GLU 4 N -3.82 0.78 -0.01 2.91 2.02 -1.26 -1.08 118.70 118.24 2aw0 s GLU 4 Ca 0.35 -0.82 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 2aw0 s GLU 4 Cb 0.08 -0.74 0.01 0.00 0.10 0.00 0.00 34.13 33.58 2aw0 s GLU 4 CO 0.16 0.17 0.20 -0.08 0.02 0.00 0.00 175.26 175.72 2aw0 s THR 5 N -1.11 0.07 -0.11 3.63 -1.32 -0.34 -5.00 115.64 111.45 2aw0 s THR 5 Ca -0.02 -0.54 0.03 0.00 -1.21 0.00 0.00 61.69 59.95 2aw0 s THR 5 Cb -0.09 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2aw0 s THR 5 CO 0.01 -0.30 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.21 2aw0 s VAL 6 N -1.18 1.97 -0.11 5.08 1.01 0.24 -0.93 120.40 126.47 2aw0 s VAL 6 Ca -0.13 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2aw0 s VAL 6 Cb -0.06 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2aw0 s VAL 6 CO 0.02 0.54 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 2aw0 s ILE 7 N 0.56 1.82 0.19 2.22 1.01 -0.50 -1.46 121.20 125.03 2aw0 s ILE 7 Ca -0.14 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 2aw0 s ILE 7 Cb -0.17 -1.61 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 2aw0 s ILE 7 CO 0.04 0.50 1.39 0.20 0.00 0.00 0.00 174.94 177.08 2aw0 s ASN 8 N 0.73 6.78 -0.44 3.58 0.01 0.83 -0.67 114.94 125.76 2aw0 s ASN 8 Ca -0.11 2.48 0.02 0.00 -0.71 0.00 0.00 52.86 54.54 2aw0 s ASN 8 Cb -0.16 -2.61 0.14 0.00 0.41 0.00 0.00 41.25 39.03 2aw0 s ASN 8 CO 0.01 -0.63 0.25 -0.63 -1.51 0.00 0.00 177.10 174.59 2aw0 s ILE 9 N 0.42 1.23 0.32 0.60 1.01 -0.26 -2.24 121.20 122.29 2aw0 s ILE 9 Ca 0.61 -2.53 0.06 0.00 0.00 0.00 0.00 60.65 58.79 2aw0 s ILE 9 Cb -0.39 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 2aw0 s ILE 9 CO 0.37 -0.94 0.45 -1.81 0.00 0.00 0.00 174.94 173.02 2aw0 s ASP 10 N 0.34 6.04 0.00 3.58 1.01 -0.95 -3.89 116.67 122.80 2aw0 s ASP 10 Ca 0.19 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.33 2aw0 s ASP 10 Cb -0.21 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 42.35 2aw0 s ASP 10 CO -0.02 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.60 2aw0 n GLY 11 N -1.61 0.50 3.68 0.21 0.00 -1.26 -1.18 105.19 105.53 2aw0 n GLY 11 Ca -0.02 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.20 4.40 -0.05 1.61 -1.94 -1.26 -4.92 119.30 115.94 2aw0 s MET 12 Ca 0.00 1.40 -0.13 0.00 -1.71 0.00 0.00 55.69 55.25 2aw0 s MET 12 Cb 0.00 -3.55 -0.31 0.00 2.01 0.00 0.00 34.83 32.98 2aw0 s MET 12 CO 0.00 -0.35 0.70 1.79 -0.01 0.00 0.00 175.02 177.15 2aw0 h THR 13 N 5.13 1.03 -2.93 2.05 1.35 -1.99 -3.50 112.91 114.05 2aw0 h THR 13 Ca -0.30 -2.52 -0.05 0.00 -0.55 0.00 0.00 66.41 63.00 2aw0 h THR 13 Cb 1.14 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 2aw0 h THR 13 CO 0.87 0.82 0.20 0.00 -0.25 0.00 0.00 175.52 177.16 2aw0 h ASN 15 N 1.68 0.00 -0.91 0.00 -1.07 -2.00 -1.87 115.58 111.41 2aw0 h ASN 15 Ca -0.28 0.00 0.11 0.00 0.07 0.00 0.00 56.30 56.20 2aw0 h ASN 15 Cb 1.05 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 37.22 2aw0 h ASN 15 CO 0.36 0.00 0.55 0.28 0.07 0.00 0.00 177.43 178.68 2aw0 h SER 16 N 0.00 0.79 0.13 6.14 0.02 -1.99 -1.18 113.55 117.47 2aw0 h SER 16 Ca 0.10 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2aw0 h SER 16 Cb 0.44 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2aw0 h SER 16 CO -0.00 0.43 -0.06 0.00 -1.14 0.00 0.00 176.83 176.06 2aw0 h VAL 18 N -0.30 0.19 0.06 0.00 2.07 -1.50 -0.90 116.25 115.86 2aw0 h VAL 18 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2aw0 h VAL 18 Cb 0.24 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2aw0 h VAL 18 CO 0.03 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.14 2aw0 h GLN 19 N -0.46 -0.09 0.04 1.57 4.20 -1.21 -1.40 115.11 117.76 2aw0 h GLN 19 Ca 0.08 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2aw0 h GLN 19 Cb 0.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2aw0 h GLN 19 CO -0.38 -0.06 -0.02 0.66 -0.67 0.00 0.00 178.83 178.36 2aw0 h SER 20 N -0.09 -0.04 0.13 1.46 4.64 -0.95 -0.64 113.55 118.05 2aw0 h SER 20 Ca -0.00 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2aw0 h SER 20 Cb 0.08 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2aw0 h SER 20 CO 0.00 0.02 -0.15 0.40 -0.87 0.00 0.00 176.83 176.23 2aw0 h ILE 21 N -0.10 0.65 -0.32 0.95 2.04 -1.15 -0.77 117.51 118.80 2aw0 h ILE 21 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2aw0 h ILE 21 Cb 0.09 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 2aw0 h ILE 21 CO 0.01 0.00 -0.05 -0.08 0.00 0.00 0.00 178.15 178.03 2aw0 h GLU 22 N -0.32 0.04 0.36 2.37 4.81 -1.12 -0.09 114.58 120.62 2aw0 h GLU 22 Ca 0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2aw0 h GLU 22 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2aw0 h GLU 22 CO -0.06 0.02 -0.26 0.78 -0.73 0.00 0.00 179.01 178.77 2aw0 h GLY 23 N 0.04 -0.64 1.00 1.92 0.00 -0.93 -1.24 103.07 103.22 2aw0 h GLY 23 Ca 0.16 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 2aw0 h GLY 23 CO -0.31 -0.25 -0.26 -2.08 0.00 0.00 0.00 176.54 173.64 2aw0 h VAL 24 N -0.61 0.46 -0.66 4.60 2.07 -0.89 -3.20 116.25 118.01 2aw0 h VAL 24 Ca -0.03 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 2aw0 h VAL 24 Cb 0.52 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2aw0 h VAL 24 CO 0.01 0.00 0.16 0.40 0.02 0.00 0.00 177.57 178.16 2aw0 h ILE 25 N -0.75 1.25 -0.53 4.57 1.08 -1.05 -2.48 117.51 119.60 2aw0 h ILE 25 Ca -0.08 -0.93 0.14 0.00 -0.39 0.00 0.00 64.86 63.60 2aw0 h ILE 25 Cb 0.57 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 2aw0 h ILE 25 CO 0.12 0.36 0.37 0.77 -0.69 0.00 0.00 178.15 179.09 2aw0 h SER 26 N 1.00 0.06 0.16 1.72 4.64 -1.22 -1.66 113.55 118.25 2aw0 h SER 26 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2aw0 h SER 26 Cb 0.35 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2aw0 h SER 26 CO 0.00 0.03 -0.15 0.29 -0.87 0.00 0.00 176.83 176.13 2aw0 n LYS 27 N -4.40 1.09 -2.35 4.77 5.02 -0.94 -4.72 118.16 116.64 2aw0 n LYS 27 Ca 0.10 -0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 55.35 2aw0 n LYS 27 Cb 0.56 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.33 4.32 -0.29 1.97 -0.14 -0.63 -4.94 119.74 117.71 2aw0 s LYS 28 Ca 0.30 1.82 -0.39 0.00 -1.36 0.00 0.00 55.97 56.33 2aw0 s LYS 28 Cb 0.20 -3.55 -0.15 0.00 -1.68 0.00 0.00 37.83 32.65 2aw0 s LYS 28 CO 0.45 -0.50 1.84 -2.30 -0.76 0.00 0.00 175.35 174.09 2aw0 n PRO 29 N 5.20 1.16 0.00 -1.68 -0.02 -1.26 -1.47 135.00 136.92 2aw0 n PRO 29 Ca 0.12 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2aw0 n PRO 29 Cb 0.45 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.72 2.23 3.72 -1.23 0.00 -1.26 -4.14 105.19 109.23 2aw0 n GLY 30 Ca 0.30 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.45 3.79 0.00 1.61 1.01 -0.54 -1.30 120.40 124.52 2aw0 s VAL 31 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2aw0 s VAL 31 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2aw0 s VAL 31 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.50 2aw0 n LYS 32 N 3.78 0.00 -3.03 2.72 5.02 -0.02 -4.85 118.16 121.78 2aw0 n LYS 32 Ca 0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.12 2aw0 n LYS 32 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.45 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 -1.00 6.31 -0.15 4.39 1.04 -1.25 -4.91 113.70 118.13 2aw0 s SER 33 Ca 0.00 0.73 -0.10 0.00 0.48 0.00 0.00 55.95 57.05 2aw0 s SER 33 Cb 0.00 -2.15 0.05 0.00 0.10 0.00 0.00 66.02 64.01 2aw0 s SER 33 CO 0.00 -0.41 0.37 -0.51 0.98 0.00 0.00 173.24 173.68 2aw0 s ILE 34 N -2.47 -0.02 -0.30 -1.02 2.07 -1.26 -1.37 121.20 116.82 2aw0 s ILE 34 Ca 0.44 0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.76 2aw0 s ILE 34 Cb -0.10 -0.55 0.07 0.00 0.13 0.00 0.00 42.46 42.02 2aw0 s ILE 34 CO 0.39 0.03 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.29 2aw0 s ARG 35 N 0.90 2.07 0.06 3.50 1.81 -0.45 -5.00 118.95 121.85 2aw0 s ARG 35 Ca -0.06 -1.50 -0.08 0.00 -1.72 0.00 0.00 55.73 52.37 2aw0 s ARG 35 Cb -0.06 -3.09 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 2aw0 s ARG 35 CO -0.07 -0.71 0.36 0.08 -0.68 0.00 0.00 175.30 174.27 2aw0 s VAL 36 N 1.09 5.17 -0.08 3.52 1.01 -1.26 -1.17 120.40 128.67 2aw0 s VAL 36 Ca -0.02 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 2aw0 s VAL 36 Cb -0.20 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2aw0 s VAL 36 CO -0.05 0.30 0.18 -0.55 0.00 0.00 0.00 175.10 174.98 2aw0 s SER 37 N -1.78 -0.01 0.03 3.32 0.15 -0.64 -4.99 113.70 109.77 2aw0 s SER 37 Ca 0.32 0.39 -0.21 0.00 0.70 0.00 0.00 55.95 57.15 2aw0 s SER 37 Cb -0.14 0.30 -0.16 0.00 -1.71 0.00 0.00 66.02 64.31 2aw0 s SER 37 CO 0.18 -0.17 1.29 0.25 1.20 0.00 0.00 173.24 175.98 2aw0 h LEU 38 N 7.45 0.37 -0.67 3.45 5.85 -1.95 0.48 115.31 130.28 2aw0 h LEU 38 Ca -0.37 -0.53 0.12 0.00 0.84 0.00 0.00 57.88 57.94 2aw0 h LEU 38 Cb 1.14 -0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.98 2aw0 h LEU 38 CO 0.35 0.83 0.24 0.00 -0.34 0.00 0.00 178.44 179.52 2aw0 h ALA 39 N 0.55 0.89 0.00 1.25 0.00 -1.97 -1.19 119.26 118.78 2aw0 h ALA 39 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aw0 h ALA 39 Cb 0.76 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2aw0 h ALA 39 CO 0.04 -0.22 -0.82 -0.91 0.00 0.00 0.00 179.25 177.35 2aw0 h ASN 40 N 0.39 0.00 -5.88 0.00 2.35 -1.99 -3.49 115.58 106.97 2aw0 h ASN 40 Ca 0.35 -0.14 -0.36 0.00 -0.55 0.00 0.00 56.30 55.61 2aw0 h ASN 40 Cb 0.50 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.00 2aw0 h ASN 40 CO -0.37 0.07 -0.88 -1.20 -1.65 0.00 0.00 177.43 173.40 2aw0 n SER 41 N -2.34 -4.94 -3.60 5.81 7.64 0.09 -4.91 113.62 111.38 2aw0 n SER 41 Ca 0.02 -0.85 -0.09 0.00 1.01 0.00 0.00 58.87 58.96 2aw0 n SER 41 Cb 0.49 -4.28 -0.02 0.00 -1.01 0.00 0.00 64.21 59.38 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 -3.64 -0.00 -0.13 6.43 4.22 -0.80 -1.10 114.94 119.91 2aw0 s ASN 42 Ca 0.36 -0.94 -0.01 0.00 -2.14 0.00 0.00 52.86 50.13 2aw0 s ASN 42 Cb -0.09 0.71 0.04 0.00 1.28 0.00 0.00 41.25 43.19 2aw0 s ASN 42 CO 0.80 -1.37 -0.01 -0.83 -2.04 0.00 0.00 177.10 173.65 2aw0 s GLY 43 N -3.02 0.69 -0.51 0.45 0.00 0.15 -1.63 107.32 103.45 2aw0 s GLY 43 Ca 0.18 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 2aw0 s GLY 43 CO 0.10 1.13 0.47 -1.59 0.00 0.00 0.00 173.10 173.22 2aw0 s THR 44 N 1.83 5.18 -0.14 0.90 2.01 -0.32 -1.41 115.64 123.70 2aw0 s THR 44 Ca 0.02 -1.23 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 2aw0 s THR 44 Cb -0.14 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2aw0 s THR 44 CO -0.07 -0.76 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.39 2aw0 s VAL 45 N 1.74 3.98 -0.19 3.82 1.01 -0.11 -1.34 120.40 129.32 2aw0 s VAL 45 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 2aw0 s VAL 45 Cb -0.27 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2aw0 s VAL 45 CO 0.05 0.51 0.11 -1.61 0.00 0.00 0.00 175.10 174.16 2aw0 s GLU 46 N 0.17 4.07 0.31 2.72 2.02 -0.47 -1.20 118.70 126.31 2aw0 s GLU 46 Ca -0.01 -0.26 -0.08 0.00 0.02 0.00 0.00 54.97 54.64 2aw0 s GLU 46 Cb -0.14 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2aw0 s GLU 46 CO 0.03 0.32 0.50 1.52 0.02 0.00 0.00 175.26 177.65 2aw0 s TYR 47 N 0.28 0.66 -0.29 1.61 1.13 -0.24 -0.84 117.35 119.66 2aw0 s TYR 47 Ca 0.07 -1.00 -0.01 0.00 -1.41 0.00 0.00 57.07 54.72 2aw0 s TYR 47 Cb -0.11 0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.92 2aw0 s TYR 47 CO -0.01 -1.12 -0.03 0.34 -2.51 0.00 0.00 175.55 172.23 2aw0 s ASP 48 N -3.12 4.77 0.38 -0.18 2.15 -0.42 -1.33 116.67 118.92 2aw0 s ASP 48 Ca 0.26 -1.27 0.22 0.00 0.43 0.00 0.00 52.55 52.19 2aw0 s ASP 48 Cb -0.01 -1.68 1.31 0.00 -0.30 0.00 0.00 42.92 42.24 2aw0 s ASP 48 CO 0.14 -0.24 1.61 -0.65 -0.17 0.00 0.00 175.17 175.86 2aw0 h PRO 49 N 7.96 0.09 -0.06 4.34 0.11 -1.80 -0.86 132.00 141.78 2aw0 h PRO 49 Ca -0.22 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 2aw0 h PRO 49 Cb 1.06 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2aw0 h PRO 49 CO 0.52 0.06 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.22 2aw0 h LEU 50 N 0.10 0.08 0.00 2.35 3.38 -1.95 -3.32 115.31 115.95 2aw0 h LEU 50 Ca 0.82 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.58 2aw0 h LEU 50 Cb 2.21 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.91 2aw0 h LEU 50 CO -0.64 0.18 -1.76 0.18 0.09 0.00 0.00 178.44 176.49 2aw0 n LEU 51 N -4.39 1.95 -4.13 1.67 4.77 -0.49 -5.06 117.00 111.31 2aw0 n LEU 51 Ca -0.02 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2aw0 n LEU 51 Cb 0.19 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 2aw0 n LEU 51 CO 0.36 0.57 -0.06 0.28 -1.33 0.00 0.00 177.39 177.21 2aw0 s THR 52 N -2.27 0.00 0.12 -5.08 -1.32 -0.45 -4.75 115.64 101.89 2aw0 s THR 52 Ca -0.14 -1.77 -0.12 0.00 -1.21 0.00 0.00 61.69 58.45 2aw0 s THR 52 Cb 0.04 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.63 2aw0 s THR 52 CO 0.36 0.00 0.31 -0.94 -2.21 0.00 0.00 174.62 172.14 2aw0 s SER 53 N -3.14 -0.06 0.21 8.08 1.04 -1.26 -3.37 113.70 115.21 2aw0 s SER 53 Ca 0.33 -0.55 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 2aw0 s SER 53 Cb 0.03 0.43 0.27 0.00 0.10 0.00 0.00 66.02 66.85 2aw0 s SER 53 CO 0.13 -0.83 1.65 -0.65 0.98 0.00 0.00 173.24 174.52 2aw0 h PRO 54 N 2.52 0.08 -0.12 4.02 0.11 -1.98 -0.82 132.00 135.81 2aw0 h PRO 54 Ca -0.33 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 2aw0 h PRO 54 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2aw0 h PRO 54 CO 0.50 0.05 -0.24 1.05 -0.21 0.00 0.00 178.00 179.14 2aw0 h GLU 55 N 0.08 0.21 -0.09 1.05 9.09 -1.98 -0.26 114.58 122.68 2aw0 h GLU 55 Ca 0.31 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 59.63 2aw0 h GLU 55 Cb 0.49 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.57 2aw0 h GLU 55 CO -0.55 0.45 -0.04 1.15 0.05 0.00 0.00 179.01 180.07 2aw0 h THR 56 N 0.19 1.31 -0.15 -1.06 2.02 -1.61 -0.74 112.91 112.88 2aw0 h THR 56 Ca 0.03 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2aw0 h THR 56 Cb 0.54 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2aw0 h THR 56 CO 0.04 0.29 0.09 -0.07 0.37 0.00 0.00 175.52 176.24 2aw0 h LEU 57 N -0.17 0.18 -0.48 2.58 3.38 -1.08 -0.57 115.31 119.14 2aw0 h LEU 57 Ca 0.02 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2aw0 h LEU 57 Cb 0.48 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 2aw0 h LEU 57 CO 0.01 0.15 -0.03 -0.09 0.09 0.00 0.00 178.44 178.57 2aw0 h ARG 58 N 0.18 0.08 -0.44 1.13 2.43 -1.07 -1.27 114.38 115.42 2aw0 h ARG 58 Ca 0.05 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2aw0 h ARG 58 Cb 0.01 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2aw0 h ARG 58 CO -0.01 0.05 0.15 0.78 -1.51 0.00 0.00 179.97 179.43 2aw0 h GLY 59 N 0.08 0.57 0.94 2.80 0.00 -0.53 -0.02 103.07 106.91 2aw0 h GLY 59 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2aw0 h GLY 59 CO -0.43 0.01 0.11 0.00 0.00 0.00 0.00 176.54 176.23 2aw0 h ALA 60 N 1.30 0.27 -0.62 3.60 0.00 -0.55 0.03 119.26 123.29 2aw0 h ALA 60 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2aw0 h ALA 60 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2aw0 h ALA 60 CO -0.22 -0.20 0.36 0.82 0.00 0.00 0.00 179.25 180.01 2aw0 h ILE 61 N 0.23 1.19 -0.84 0.00 2.04 -1.03 -1.65 117.51 117.43 2aw0 h ILE 61 Ca 0.07 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2aw0 h ILE 61 Cb 0.07 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.47 2aw0 h ILE 61 CO -0.01 0.20 0.51 -0.08 0.00 0.00 0.00 178.15 178.77 2aw0 h GLU 62 N 0.84 1.14 -0.81 2.37 4.81 -0.78 -1.99 114.58 120.17 2aw0 h GLU 62 Ca 0.22 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2aw0 h GLU 62 Cb 0.00 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.10 2aw0 h GLU 62 CO -0.04 0.80 0.42 0.22 -0.73 0.00 0.00 179.01 179.69 2aw0 h ASP 63 N 1.16 1.02 -0.97 1.04 3.58 -0.53 -1.99 116.42 119.74 2aw0 h ASP 63 Ca 0.30 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2aw0 h ASP 63 Cb -0.05 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 40.69 2aw0 h ASP 63 CO -0.06 0.84 0.64 0.24 -2.88 0.00 0.00 179.24 178.02 2aw0 h MET 64 N 1.13 1.24 0.00 0.28 2.86 -0.91 -3.47 114.93 116.05 2aw0 h MET 64 Ca 0.28 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2aw0 h MET 64 Cb 0.06 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.44 2aw0 h MET 64 CO -0.04 0.82 0.00 0.41 1.06 0.00 0.00 176.91 179.16 2aw0 n GLY 65 N -1.36 0.34 3.11 8.32 0.00 -0.75 -5.12 105.19 109.73 2aw0 n GLY 65 Ca 0.12 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 0.54 -1.00 1.61 0.08 -1.19 -4.99 117.98 113.04 2aw0 s PHE 66 Ca 0.00 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.76 2aw0 s PHE 66 Cb 0.00 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.09 2aw0 s PHE 66 CO 0.00 -0.41 1.60 -0.51 -0.10 0.00 0.00 175.22 175.80 2aw0 s ASP 67 N -2.93 6.12 -0.34 1.36 1.01 -0.33 -4.27 116.67 117.29 2aw0 s ASP 67 Ca 0.09 -1.27 -0.13 0.00 0.71 0.00 0.00 52.55 51.95 2aw0 s ASP 67 Cb 0.08 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2aw0 s ASP 67 CO -0.08 -1.85 0.27 0.00 0.21 0.00 0.00 175.17 173.71 2aw0 s ALA 68 N 6.42 3.50 0.01 5.23 0.00 -1.26 -2.23 121.76 133.43 2aw0 s ALA 68 Ca 0.53 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2aw0 s ALA 68 Cb -0.02 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2aw0 s ALA 68 CO -0.07 -1.01 0.02 0.95 0.00 0.00 0.00 175.76 175.65 2aw0 s THR 69 N 1.78 0.09 0.37 0.00 -4.23 -0.95 -4.94 115.64 107.76 2aw0 s THR 69 Ca 0.07 -0.74 -0.25 0.00 -1.18 0.00 0.00 61.69 59.59 2aw0 s THR 69 Cb -0.17 -0.27 -0.09 0.00 1.34 0.00 0.00 72.50 73.31 2aw0 s THR 69 CO 0.11 -0.41 1.07 -0.76 -0.54 0.00 0.00 174.62 174.10 2aw0 s LEU 70 N -1.24 4.24 -0.04 4.79 1.43 -1.26 -0.12 118.68 126.47 2aw0 s LEU 70 Ca -0.14 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 2aw0 s LEU 70 Cb -0.08 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 2aw0 s LEU 70 CO -0.00 -0.44 -0.04 -1.54 0.23 0.00 0.00 176.35 174.56 2aw0 n SER 71 N 0.22 3.43 0.00 2.29 3.41 -0.56 -4.75 113.62 117.67 2aw0 n SER 71 Ca 0.04 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2aw0 n SER 71 Cb 0.48 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21