#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 0.04 0.14 1.96 -4.23 -1.26 -4.33 115.64 107.96 2aw0 s THR 2 Ca 0.00 -0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 2aw0 s THR 2 Cb 0.00 -0.14 -0.01 0.00 1.34 0.00 0.00 72.50 73.69 2aw0 s THR 2 CO 0.00 -0.19 0.24 -1.10 -0.54 0.00 0.00 174.62 173.03 2aw0 s GLN 3 N -0.55 1.04 0.03 3.99 -0.21 -0.37 -4.86 119.66 118.72 2aw0 s GLN 3 Ca -0.06 -1.12 0.07 0.00 0.02 0.00 0.00 55.36 54.27 2aw0 s GLN 3 Cb -0.04 0.36 -0.02 0.00 1.00 0.00 0.00 33.01 34.31 2aw0 s GLN 3 CO -0.00 -0.36 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.40 2aw0 s GLU 4 N -3.94 1.39 0.18 2.91 2.02 -1.26 -1.46 118.70 118.54 2aw0 s GLU 4 Ca 0.14 -0.85 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 2aw0 s GLU 4 Cb 0.04 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.82 2aw0 s GLU 4 CO -0.04 0.38 0.37 -0.08 0.02 0.00 0.00 175.26 175.91 2aw0 s THR 5 N -0.70 0.05 -0.03 3.63 -1.32 -0.32 -5.02 115.64 111.91 2aw0 s THR 5 Ca 0.07 -1.23 0.03 0.00 -1.21 0.00 0.00 61.69 59.34 2aw0 s THR 5 Cb -0.08 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 2aw0 s THR 5 CO 0.01 -0.21 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.41 2aw0 s VAL 6 N -3.95 0.95 -0.15 5.08 1.01 -1.26 -1.30 120.40 120.78 2aw0 s VAL 6 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2aw0 s VAL 6 Cb 0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2aw0 s VAL 6 CO 0.00 0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 2aw0 s ILE 7 N 0.24 3.12 -0.20 2.22 -1.09 -0.31 -1.14 121.20 124.04 2aw0 s ILE 7 Ca -0.05 -0.62 -0.24 0.00 -2.23 0.00 0.00 60.65 57.51 2aw0 s ILE 7 Cb -0.10 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.43 2aw0 s ILE 7 CO 0.01 0.50 0.79 0.20 -1.23 0.00 0.00 174.94 175.22 2aw0 s ASN 8 N 0.64 6.86 -0.38 3.58 0.01 0.19 -0.93 114.94 124.90 2aw0 s ASN 8 Ca -0.06 1.06 0.03 0.00 -0.71 0.00 0.00 52.86 53.18 2aw0 s ASN 8 Cb -0.15 -2.43 0.11 0.00 0.41 0.00 0.00 41.25 39.19 2aw0 s ASN 8 CO 0.03 -0.41 0.12 -0.63 -1.51 0.00 0.00 177.10 174.69 2aw0 s ILE 9 N 2.33 2.14 0.14 0.60 1.01 -0.28 -1.24 121.20 125.90 2aw0 s ILE 9 Ca 0.35 -2.48 0.02 0.00 0.00 0.00 0.00 60.65 58.54 2aw0 s ILE 9 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2aw0 s ILE 9 CO 0.10 -0.67 0.28 1.51 0.00 0.00 0.00 174.94 176.16 2aw0 s ASP 10 N 0.67 6.35 0.00 3.58 -4.77 -0.84 -4.09 116.67 117.57 2aw0 s ASP 10 Ca 0.13 0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.57 2aw0 s ASP 10 Cb -0.21 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.70 2aw0 s ASP 10 CO -0.08 0.06 0.00 0.61 0.70 0.00 0.00 175.17 176.46 2aw0 n GLY 11 N -0.48 0.94 3.64 2.12 0.00 -1.26 -1.73 105.19 108.42 2aw0 n GLY 11 Ca -0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.80 4.06 -0.14 1.61 -1.94 -1.26 -4.94 119.30 115.88 2aw0 s MET 12 Ca 0.00 1.07 -0.23 0.00 -1.71 0.00 0.00 55.69 54.83 2aw0 s MET 12 Cb 0.00 -3.74 -0.25 0.00 2.01 0.00 0.00 34.83 32.85 2aw0 s MET 12 CO 0.00 -0.91 0.55 1.79 -0.01 0.00 0.00 175.02 176.44 2aw0 h THR 13 N 5.74 1.29 -3.53 2.05 1.35 -1.98 -3.50 112.91 114.33 2aw0 h THR 13 Ca -0.21 -2.33 -0.16 0.00 -0.55 0.00 0.00 66.41 63.17 2aw0 h THR 13 Cb 1.06 2.83 -0.03 0.00 -1.73 0.00 0.00 68.15 70.28 2aw0 h THR 13 CO 1.03 0.55 0.05 0.00 -0.25 0.00 0.00 175.52 176.90 2aw0 h ASN 15 N 1.96 0.00 -0.96 0.00 -1.07 -2.00 -1.47 115.58 112.04 2aw0 h ASN 15 Ca -0.30 0.00 0.10 0.00 0.07 0.00 0.00 56.30 56.17 2aw0 h ASN 15 Cb 1.20 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 37.37 2aw0 h ASN 15 CO 0.39 0.00 0.60 -1.28 0.07 0.00 0.00 177.43 177.21 2aw0 h SER 16 N 0.00 0.89 -0.24 6.14 0.87 -1.99 -1.53 113.55 117.68 2aw0 h SER 16 Ca 0.04 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2aw0 h SER 16 Cb 0.26 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2aw0 h SER 16 CO -0.00 0.50 0.09 0.00 -0.53 0.00 0.00 176.83 176.89 2aw0 h VAL 18 N 0.23 0.40 -0.23 0.00 2.07 -1.49 -0.33 116.25 116.90 2aw0 h VAL 18 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2aw0 h VAL 18 Cb 0.20 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2aw0 h VAL 18 CO -0.01 0.00 0.12 -0.61 0.02 0.00 0.00 177.57 177.10 2aw0 h GLN 19 N -0.32 0.25 0.36 1.57 5.75 -1.20 -1.18 115.11 120.34 2aw0 h GLN 19 Ca 0.10 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2aw0 h GLN 19 Cb 0.47 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2aw0 h GLN 19 CO -0.32 0.16 -0.17 0.77 -2.65 0.00 0.00 178.83 176.62 2aw0 h SER 20 N 0.25 -0.41 0.46 -0.69 0.02 -0.77 -0.36 113.55 112.05 2aw0 h SER 20 Ca 0.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2aw0 h SER 20 Cb 0.01 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2aw0 h SER 20 CO -0.06 -0.25 -0.32 0.40 -1.14 0.00 0.00 176.83 175.46 2aw0 h ILE 21 N -0.53 0.33 -0.31 3.27 2.04 -1.05 -1.58 117.51 119.68 2aw0 h ILE 21 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2aw0 h ILE 21 Cb 0.40 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2aw0 h ILE 21 CO 0.08 0.00 0.04 -0.08 0.00 0.00 0.00 178.15 178.19 2aw0 h GLU 22 N -0.77 0.14 0.22 2.37 4.81 -1.20 -0.13 114.58 120.03 2aw0 h GLU 22 Ca -0.05 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2aw0 h GLU 22 Cb 0.64 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2aw0 h GLU 22 CO 0.02 0.09 -0.29 0.78 -0.73 0.00 0.00 179.01 178.89 2aw0 h GLY 23 N 0.14 -0.61 0.87 1.92 0.00 -0.97 -0.79 103.07 103.63 2aw0 h GLY 23 Ca 0.15 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 2aw0 h GLY 23 CO -0.21 -0.25 -0.25 -2.08 0.00 0.00 0.00 176.54 173.75 2aw0 h VAL 24 N -0.57 0.45 -0.60 4.60 2.07 -1.05 -3.26 116.25 117.89 2aw0 h VAL 24 Ca 0.01 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 2aw0 h VAL 24 Cb 0.55 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2aw0 h VAL 24 CO -0.10 0.03 0.21 0.40 0.02 0.00 0.00 177.57 178.13 2aw0 h ILE 25 N -0.84 1.22 -0.77 4.57 1.08 -1.04 -2.37 117.51 119.36 2aw0 h ILE 25 Ca -0.07 -0.73 0.15 0.00 -0.39 0.00 0.00 64.86 63.82 2aw0 h ILE 25 Cb 0.60 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.83 2aw0 h ILE 25 CO 0.12 0.28 0.51 0.77 -0.69 0.00 0.00 178.15 179.15 2aw0 h SER 26 N 0.87 0.43 -0.03 1.72 4.64 -1.18 -1.51 113.55 118.48 2aw0 h SER 26 Ca 0.20 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2aw0 h SER 26 Cb 0.21 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2aw0 h SER 26 CO -0.01 0.22 0.00 0.29 -0.87 0.00 0.00 176.83 176.46 2aw0 n LYS 27 N -4.49 1.64 -2.40 4.77 5.02 -0.89 -4.72 118.16 117.09 2aw0 n LYS 27 Ca 0.15 -0.94 -0.38 0.00 -2.02 0.00 0.00 58.31 55.11 2aw0 n LYS 27 Cb 0.52 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.97 4.26 0.13 1.97 -0.14 -0.57 -4.96 119.74 118.46 2aw0 s LYS 28 Ca 0.38 1.77 -0.31 0.00 -1.36 0.00 0.00 55.97 56.44 2aw0 s LYS 28 Cb 0.21 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.46 2aw0 s LYS 28 CO 0.33 -0.12 1.59 -1.25 -0.76 0.00 0.00 175.35 175.14 2aw0 s PRO 29 N -2.08 4.21 0.00 -1.68 0.04 -1.26 -2.33 135.00 131.90 2aw0 s PRO 29 Ca 0.53 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2aw0 s PRO 29 Cb -0.29 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2aw0 s PRO 29 CO 0.37 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2aw0 n GLY 30 N 3.83 2.75 3.68 0.56 0.00 -1.26 -4.01 105.19 110.74 2aw0 n GLY 30 Ca 0.14 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.49 3.35 0.00 1.61 1.01 -0.98 -1.52 120.40 122.37 2aw0 s VAL 31 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2aw0 s VAL 31 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 2aw0 s VAL 31 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.37 2aw0 n LYS 32 N 6.03 0.00 -3.36 2.72 5.02 -0.29 -4.86 118.16 123.42 2aw0 n LYS 32 Ca 0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 2aw0 n LYS 32 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 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 6.75 -0.10 4.39 1.04 -1.24 -4.97 113.70 118.57 2aw0 s SER 33 Ca 0.00 1.04 -0.13 0.00 0.48 0.00 0.00 55.95 57.34 2aw0 s SER 33 Cb 0.00 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.88 2aw0 s SER 33 CO 0.00 0.02 0.35 -0.51 0.98 0.00 0.00 173.24 174.07 2aw0 s ILE 34 N -1.63 0.02 -0.02 -1.02 2.07 -1.26 -1.42 121.20 117.93 2aw0 s ILE 34 Ca 0.42 -0.12 -0.00 0.00 -1.41 0.00 0.00 60.65 59.54 2aw0 s ILE 34 Cb -0.13 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.95 2aw0 s ILE 34 CO 0.20 -0.07 0.04 0.00 -1.91 0.00 0.00 174.94 173.20 2aw0 s ARG 35 N -0.22 -0.03 0.08 3.50 3.03 -0.66 -5.04 118.95 119.62 2aw0 s ARG 35 Ca -0.04 0.19 0.08 0.00 2.03 0.00 0.00 55.73 57.99 2aw0 s ARG 35 Cb -0.03 -0.23 -0.04 0.00 -1.03 0.00 0.00 34.95 33.62 2aw0 s ARG 35 CO 0.02 -0.16 -0.16 0.08 -1.13 0.00 0.00 175.30 173.94 2aw0 s VAL 36 N 1.02 2.93 -0.02 4.99 1.01 -1.26 -1.22 120.40 127.84 2aw0 s VAL 36 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2aw0 s VAL 36 Cb -0.12 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2aw0 s VAL 36 CO -0.03 0.21 0.02 -0.55 0.00 0.00 0.00 175.10 174.75 2aw0 s SER 37 N -1.83 0.17 -0.05 3.32 0.15 -0.42 -5.00 113.70 110.03 2aw0 s SER 37 Ca 0.17 0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.57 2aw0 s SER 37 Cb -0.11 -0.11 -0.22 0.00 -1.71 0.00 0.00 66.02 63.87 2aw0 s SER 37 CO 0.08 -0.12 1.14 0.25 1.20 0.00 0.00 173.24 175.80 2aw0 h LEU 38 N 7.26 0.01 -0.52 3.45 5.85 -1.93 -1.18 115.31 128.24 2aw0 h LEU 38 Ca -0.45 -0.62 0.09 0.00 0.84 0.00 0.00 57.88 57.75 2aw0 h LEU 38 Cb 1.13 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 2aw0 h LEU 38 CO 0.48 0.63 0.08 0.00 -0.34 0.00 0.00 178.44 179.28 2aw0 h ALA 39 N 0.38 0.57 -0.00 1.25 0.00 -1.97 -0.86 119.26 118.63 2aw0 h ALA 39 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aw0 h ALA 39 Cb 0.63 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2aw0 h ALA 39 CO 0.00 -0.33 -0.42 0.09 0.00 0.00 0.00 179.25 178.59 2aw0 n ASN 40 N -5.15 0.59 -3.64 0.00 3.02 -1.26 -4.99 115.26 103.83 2aw0 n ASN 40 Ca 0.06 -0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 53.99 2aw0 n ASN 40 Cb 0.27 0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.31 -4.13 -3.64 6.41 7.64 -0.33 -4.90 113.62 113.36 2aw0 n SER 41 Ca 0.07 -0.92 -0.06 0.00 1.01 0.00 0.00 58.87 58.96 2aw0 n SER 41 Cb 0.34 -3.79 -0.01 0.00 -1.01 0.00 0.00 64.21 59.74 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 -3.74 -0.18 -0.08 6.43 2.20 -0.75 -1.12 114.94 117.71 2aw0 s ASN 42 Ca 0.32 -0.66 -0.02 0.00 -0.94 0.00 0.00 52.86 51.56 2aw0 s ASN 42 Cb -0.10 0.68 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 2aw0 s ASN 42 CO 0.83 -1.29 0.01 -0.83 -2.94 0.00 0.00 177.10 172.89 2aw0 s GLY 43 N -2.98 0.44 -0.26 0.45 0.00 -0.11 -1.30 107.32 103.56 2aw0 s GLY 43 Ca 0.13 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.62 2aw0 s GLY 43 CO 0.07 1.20 0.20 -1.59 0.00 0.00 0.00 173.10 172.98 2aw0 s THR 44 N 2.00 5.31 -0.03 0.90 2.01 -0.36 -1.16 115.64 124.31 2aw0 s THR 44 Ca 0.05 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.31 2aw0 s THR 44 Cb -0.13 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 2aw0 s THR 44 CO -0.05 0.27 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.33 2aw0 s VAL 45 N 1.53 1.07 -0.14 3.82 1.01 -0.42 -1.65 120.40 125.63 2aw0 s VAL 45 Ca 0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2aw0 s VAL 45 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2aw0 s VAL 45 CO 0.09 0.31 -0.11 -1.61 0.00 0.00 0.00 175.10 173.78 2aw0 s GLU 46 N -0.03 3.45 0.24 2.72 2.02 -0.51 -1.18 118.70 125.42 2aw0 s GLU 46 Ca -0.00 -0.65 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 2aw0 s GLU 46 Cb -0.08 -2.70 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2aw0 s GLU 46 CO 0.01 0.22 0.43 1.52 0.02 0.00 0.00 175.26 177.46 2aw0 s TYR 47 N 0.36 0.47 -0.35 1.61 1.13 -0.54 -1.14 117.35 118.89 2aw0 s TYR 47 Ca -0.09 -0.81 -0.15 0.00 -1.41 0.00 0.00 57.07 54.61 2aw0 s TYR 47 Cb -0.16 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 2aw0 s TYR 47 CO 0.05 -0.95 0.36 0.34 -2.51 0.00 0.00 175.55 172.84 2aw0 s ASP 48 N -3.04 6.17 0.33 -0.18 2.15 -0.58 -1.24 116.67 120.28 2aw0 s ASP 48 Ca 0.25 -0.30 0.11 0.00 0.43 0.00 0.00 52.55 53.03 2aw0 s ASP 48 Cb 0.00 -2.19 0.98 0.00 -0.30 0.00 0.00 42.92 41.41 2aw0 s ASP 48 CO 0.09 -0.36 1.66 -0.65 -0.17 0.00 0.00 175.17 175.74 2aw0 h PRO 49 N 8.49 0.28 -0.26 4.34 0.11 -1.75 -1.24 132.00 141.97 2aw0 h PRO 49 Ca -0.30 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2aw0 h PRO 49 Cb 1.14 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2aw0 h PRO 49 CO 0.70 0.18 0.09 -0.07 -0.21 0.00 0.00 178.00 178.70 2aw0 h LEU 50 N 0.29 0.33 0.00 2.35 3.38 -1.94 -3.23 115.31 116.48 2aw0 h LEU 50 Ca 0.68 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 58.39 2aw0 h LEU 50 Cb 1.51 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 2aw0 h LEU 50 CO -0.63 0.32 -1.98 0.18 0.09 0.00 0.00 178.44 176.42 2aw0 n LEU 51 N -4.41 0.00 -3.76 1.67 4.77 -0.78 -5.05 117.00 109.45 2aw0 n LEU 51 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 2aw0 n LEU 51 Cb 0.14 0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2aw0 n LEU 51 CO 0.36 0.32 0.17 0.28 -1.33 0.00 0.00 177.39 177.19 2aw0 s THR 52 N -2.45 0.05 0.18 -5.08 -1.32 -0.54 -4.78 115.64 101.71 2aw0 s THR 52 Ca -0.07 -0.85 0.01 0.00 -1.21 0.00 0.00 61.69 59.57 2aw0 s THR 52 Cb 0.05 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.50 2aw0 s THR 52 CO 0.62 -0.23 0.04 -0.94 -2.21 0.00 0.00 174.62 171.89 2aw0 s SER 53 N -2.87 0.98 0.35 8.08 1.04 -1.26 -3.60 113.70 116.41 2aw0 s SER 53 Ca 0.09 -1.23 0.09 0.00 0.48 0.00 0.00 55.95 55.38 2aw0 s SER 53 Cb 0.01 0.17 0.83 0.00 0.10 0.00 0.00 66.02 67.13 2aw0 s SER 53 CO -0.05 -0.64 1.84 -0.65 0.98 0.00 0.00 173.24 174.72 2aw0 h PRO 54 N 2.67 0.66 -0.48 4.02 0.11 -1.99 -1.10 132.00 135.90 2aw0 h PRO 54 Ca -0.37 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 2aw0 h PRO 54 Cb 1.21 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2aw0 h PRO 54 CO 0.61 0.44 -0.09 0.93 -0.21 0.00 0.00 178.00 179.68 2aw0 h GLU 55 N 0.68 0.91 -0.15 1.05 3.07 -1.98 -0.39 114.58 117.77 2aw0 h GLU 55 Ca 0.49 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2aw0 h GLU 55 Cb 0.82 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 2aw0 h GLU 55 CO -0.24 0.99 0.05 1.15 -1.40 0.00 0.00 179.01 179.55 2aw0 h THR 56 N 0.76 1.18 -0.06 1.13 2.02 -1.75 -0.76 112.91 115.43 2aw0 h THR 56 Ca 0.12 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.75 2aw0 h THR 56 Cb 0.64 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2aw0 h THR 56 CO 0.04 0.17 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 2aw0 h LEU 57 N 0.06 0.01 -0.39 2.58 3.38 -1.16 -0.27 115.31 119.51 2aw0 h LEU 57 Ca 0.05 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2aw0 h LEU 57 Cb 0.22 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2aw0 h LEU 57 CO -0.00 0.02 -0.16 -0.09 0.09 0.00 0.00 178.44 178.30 2aw0 h ARG 58 N 0.05 -0.07 -0.47 1.13 2.43 -1.04 -1.23 114.38 115.17 2aw0 h ARG 58 Ca 0.03 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2aw0 h ARG 58 Cb 0.02 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2aw0 h ARG 58 CO -0.03 -0.05 0.19 0.78 -1.51 0.00 0.00 179.97 179.34 2aw0 h GLY 59 N -0.08 0.63 0.97 2.80 0.00 -0.61 0.38 103.07 107.16 2aw0 h GLY 59 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2aw0 h GLY 59 CO -0.45 0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.34 2aw0 h ALA 60 N 1.30 0.50 -0.46 3.60 0.00 -0.59 -0.26 119.26 123.35 2aw0 h ALA 60 Ca 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2aw0 h ALA 60 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2aw0 h ALA 60 CO -0.20 0.02 0.03 0.82 0.00 0.00 0.00 179.25 179.92 2aw0 h ILE 61 N 0.49 1.23 -0.67 0.00 2.04 -0.93 -0.88 117.51 118.79 2aw0 h ILE 61 Ca 0.14 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2aw0 h ILE 61 Cb 0.06 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2aw0 h ILE 61 CO -0.02 0.32 0.24 -0.08 0.00 0.00 0.00 178.15 178.61 2aw0 h GLU 62 N 0.70 1.02 -0.75 2.37 4.57 -0.52 -2.08 114.58 119.89 2aw0 h GLU 62 Ca 0.14 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2aw0 h GLU 62 Cb 0.38 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2aw0 h GLU 62 CO 0.01 0.86 0.30 0.22 -1.18 0.00 0.00 179.01 179.23 2aw0 h ASP 63 N 0.96 1.02 -0.99 1.04 3.58 -0.57 -2.31 116.42 119.16 2aw0 h ASP 63 Ca 0.22 -0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.59 2aw0 h ASP 63 Cb 0.25 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 40.96 2aw0 h ASP 63 CO -0.01 0.91 0.63 0.24 -2.88 0.00 0.00 179.24 178.13 2aw0 h MET 64 N 1.07 1.05 0.00 0.28 2.86 -0.90 -3.47 114.93 115.83 2aw0 h MET 64 Ca 0.25 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2aw0 h MET 64 Cb 0.20 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2aw0 h MET 64 CO -0.02 0.69 0.00 0.41 1.06 0.00 0.00 176.91 179.05 2aw0 n GLY 65 N -1.35 0.72 2.93 8.32 0.00 -0.81 -5.11 105.19 109.90 2aw0 n GLY 65 Ca 0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.02 0.09 -0.64 1.61 0.08 -1.11 -5.00 117.98 112.99 2aw0 s PHE 66 Ca 0.00 -0.19 -0.26 0.00 0.12 0.00 0.00 56.93 56.60 2aw0 s PHE 66 Cb 0.00 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 2aw0 s PHE 66 CO 0.00 -0.09 1.83 0.34 -0.10 0.00 0.00 175.22 177.20 2aw0 s ASP 67 N -0.62 5.32 -0.20 1.36 2.15 -0.70 -3.91 116.67 120.06 2aw0 s ASP 67 Ca -0.07 0.21 -0.10 0.00 0.43 0.00 0.00 52.55 53.01 2aw0 s ASP 67 Cb -0.04 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 2aw0 s ASP 67 CO -0.00 -2.37 0.15 0.00 -0.17 0.00 0.00 175.17 172.78 2aw0 s ALA 68 N 8.94 3.67 0.01 3.66 0.00 -1.26 -1.98 121.76 134.80 2aw0 s ALA 68 Ca 0.65 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2aw0 s ALA 68 Cb -0.12 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 2aw0 s ALA 68 CO 0.19 0.09 -0.04 0.95 0.00 0.00 0.00 175.76 176.94 2aw0 s THR 69 N 0.50 0.30 0.46 0.00 -4.23 -0.38 -4.97 115.64 107.33 2aw0 s THR 69 Ca 0.09 -0.48 -0.23 0.00 -1.18 0.00 0.00 61.69 59.88 2aw0 s THR 69 Cb -0.12 -0.32 -0.07 0.00 1.34 0.00 0.00 72.50 73.33 2aw0 s THR 69 CO -0.00 -0.12 1.22 -0.76 -0.54 0.00 0.00 174.62 174.42 2aw0 s LEU 70 N -0.64 4.04 -0.31 4.79 1.43 -1.26 -0.64 118.68 126.09 2aw0 s LEU 70 Ca -0.04 2.45 0.19 0.00 -1.03 0.00 0.00 54.13 55.69 2aw0 s LEU 70 Cb -0.05 -4.17 0.47 0.00 0.03 0.00 0.00 46.19 42.47 2aw0 s LEU 70 CO -0.00 -1.00 1.01 -0.24 0.23 0.00 0.00 176.35 176.35 2aw0 n SER 71 N -0.42 1.27 0.00 2.29 2.88 -0.29 -4.70 113.62 114.65 2aw0 n SER 71 Ca 0.07 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.05 2aw0 n SER 71 Cb 0.47 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14