#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 s GLU 2 N 0.00 1.51 0.41 0.03 -1.05 -1.26 -5.19 118.70 113.16 1xn6 s GLU 2 Ca 0.00 -0.85 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 1xn6 s GLU 2 Cb 0.00 0.51 -0.07 0.00 -0.44 0.00 0.00 34.13 34.13 1xn6 s GLU 2 CO 0.00 -0.69 0.05 -0.65 0.95 0.00 0.00 175.26 174.91 1xn6 s GLN 3 N -3.54 2.02 0.28 -4.83 -0.21 -1.26 -5.14 119.66 106.98 1xn6 s GLN 3 Ca 0.12 -2.05 -0.02 0.00 0.02 0.00 0.00 55.36 53.43 1xn6 s GLN 3 Cb -0.04 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 1xn6 s GLN 3 CO 0.05 -0.06 0.51 1.14 -2.12 0.00 0.00 175.29 174.80 1xn6 s GLN 4 N -3.75 3.56 0.05 2.91 -2.07 -1.26 -5.11 119.66 113.98 1xn6 s GLN 4 Ca 0.36 -0.19 -0.02 0.00 -1.82 0.00 0.00 55.36 53.69 1xn6 s GLN 4 Cb 0.09 -2.70 -0.03 0.00 -1.09 0.00 0.00 33.01 29.27 1xn6 s GLN 4 CO 0.19 0.24 0.00 -0.80 -1.32 0.00 0.00 175.29 173.61 1xn6 s ASN 5 N -3.42 0.38 0.39 12.60 -0.87 -1.26 -5.11 114.94 117.65 1xn6 s ASN 5 Ca 0.41 -0.84 0.00 0.00 -1.57 0.00 0.00 52.86 50.86 1xn6 s ASN 5 Cb -0.10 0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.33 1xn6 s ASN 5 CO 0.31 -0.56 0.00 0.41 -2.57 0.00 0.00 177.10 174.70 1xn6 n THR 6 N 0.40 0.00 -2.27 1.60 -1.04 -1.26 -4.89 114.28 106.82 1xn6 n THR 6 Ca -0.16 0.29 -0.25 0.00 -2.04 0.00 0.00 64.05 61.88 1xn6 n THR 6 Cb 0.60 -0.73 0.06 0.00 -1.82 0.00 0.00 70.33 68.44 1xn6 n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xn6 s LEU 7 N -6.89 2.91 0.44 -4.42 1.43 -0.78 -4.88 118.68 106.49 1xn6 s LEU 7 Ca 0.00 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1xn6 s LEU 7 Cb 0.00 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1xn6 s LEU 7 CO 0.00 -1.49 0.02 0.20 0.23 0.00 0.00 176.35 175.31 1xn6 s ASN 8 N -4.49 3.71 -0.09 2.29 -0.87 -1.26 -5.02 114.94 109.21 1xn6 s ASN 8 Ca 0.59 -1.49 -0.14 0.00 -1.57 0.00 0.00 52.86 50.25 1xn6 s ASN 8 Cb -0.11 0.03 -0.05 0.00 -0.02 0.00 0.00 41.25 41.11 1xn6 s ASN 8 CO 0.44 -0.65 0.33 -1.81 -2.57 0.00 0.00 177.10 172.85 1xn6 s ASP 9 N -3.73 6.59 -1.01 -1.22 1.01 -1.26 -4.95 116.67 112.10 1xn6 s ASP 9 Ca 0.24 0.70 -0.25 0.00 0.71 0.00 0.00 52.55 53.95 1xn6 s ASP 9 Cb 0.06 -2.20 -0.12 0.00 1.01 0.00 0.00 42.92 41.67 1xn6 s ASP 9 CO 0.12 0.21 2.07 -0.63 0.21 0.00 0.00 175.17 177.15 1xn6 s ILE 10 N -0.27 3.31 0.17 0.77 1.01 -1.16 -4.85 121.20 120.17 1xn6 s ILE 10 Ca 0.20 -0.41 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 1xn6 s ILE 10 Cb -0.14 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 1xn6 s ILE 10 CO 0.08 -0.60 0.81 -0.75 0.00 0.00 0.00 174.94 174.49 1xn6 s LYS 11 N 7.51 4.62 -0.40 2.79 2.20 -1.24 -3.29 119.74 131.92 1xn6 s LYS 11 Ca 0.76 1.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.61 1xn6 s LYS 11 Cb -0.06 -3.28 0.15 0.00 -1.51 0.00 0.00 37.83 33.13 1xn6 s LYS 11 CO 0.09 0.52 0.26 -0.65 -0.36 0.00 0.00 175.35 175.22 1xn6 s GLN 12 N -1.01 0.86 -0.23 4.03 -0.21 -0.12 -4.91 119.66 118.06 1xn6 s GLN 12 Ca 0.37 -1.76 -0.22 0.00 0.02 0.00 0.00 55.36 53.78 1xn6 s GLN 12 Cb -0.23 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 1xn6 s GLN 12 CO 0.27 -1.25 0.68 0.99 -2.12 0.00 0.00 175.29 173.86 1xn6 s THR 13 N 0.55 4.96 0.02 -0.19 2.01 -1.25 -2.28 115.64 119.46 1xn6 s THR 13 Ca 0.22 1.26 -0.13 0.00 0.31 0.00 0.00 61.69 63.35 1xn6 s THR 13 Cb -0.15 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1xn6 s THR 13 CO -0.06 0.03 0.28 -0.51 -0.69 0.00 0.00 174.62 173.68 1xn6 s ILE 14 N 2.39 0.08 -0.22 1.82 2.07 0.07 -4.99 121.20 122.42 1xn6 s ILE 14 Ca 0.29 -0.65 -0.05 0.00 -1.41 0.00 0.00 60.65 58.84 1xn6 s ILE 14 Cb -0.16 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 1xn6 s ILE 14 CO 0.09 -0.36 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.06 1xn6 s VAL 15 N -2.15 3.67 0.11 4.00 1.01 -1.26 -0.27 120.40 125.51 1xn6 s VAL 15 Ca -0.08 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1xn6 s VAL 15 Cb -0.02 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1xn6 s VAL 15 CO -0.01 0.41 -0.04 -0.36 0.00 0.00 0.00 175.10 175.10 1xn6 s PHE 16 N 1.37 2.86 -1.35 5.22 0.08 -1.12 -5.00 117.98 120.04 1xn6 s PHE 16 Ca 0.04 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 56.83 1xn6 s PHE 16 Cb -0.14 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.88 1xn6 s PHE 16 CO -0.01 0.46 1.94 -1.71 -0.10 0.00 0.00 175.22 175.80 1xn6 n ASN 17 N 0.53 4.42 -3.10 1.36 2.85 -1.26 -3.02 115.26 117.03 1xn6 n ASN 17 Ca -0.12 -2.88 -0.07 0.00 -0.11 0.00 0.00 54.58 51.41 1xn6 n ASN 17 Cb 0.52 -1.70 0.02 0.00 1.24 0.00 0.00 39.78 39.86 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 s ALA 18 N 4.07 -1.05 0.12 5.20 0.00 0.13 -4.75 121.76 125.48 1xn6 s ALA 18 Ca 0.52 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1xn6 s ALA 18 Cb 0.08 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1xn6 s ALA 18 CO 0.02 -1.02 0.11 -1.12 0.00 0.00 0.00 175.76 173.75 1xn6 s SER 19 N -3.18 5.57 0.11 0.00 0.01 -1.25 -1.23 113.70 113.72 1xn6 s SER 19 Ca 0.18 -0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.15 1xn6 s SER 19 Cb -0.04 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.63 1xn6 s SER 19 CO 0.09 0.13 1.40 -0.29 0.41 0.00 0.00 173.24 174.98 1xn6 h ILE 20 N 2.32 0.00 -0.70 1.44 2.10 -1.89 1.57 117.51 122.35 1xn6 h ILE 20 Ca -0.47 0.00 0.20 0.00 1.08 0.00 0.00 64.86 65.67 1xn6 h ILE 20 Cb 1.18 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.88 1xn6 h ILE 20 CO 0.65 0.00 0.53 0.06 -1.08 0.00 0.00 178.15 178.32 1xn6 h GLN 21 N -0.14 0.00 0.26 2.19 -0.00 -1.95 1.16 115.11 116.62 1xn6 h GLN 21 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1xn6 h GLN 21 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1xn6 h GLN 21 CO -0.57 0.00 -0.13 -0.22 -0.00 0.00 0.00 178.83 177.91 1xn6 h LYS 22 N 0.00 -0.34 -0.42 0.06 3.64 0.15 -1.31 116.57 118.34 1xn6 h LYS 22 Ca 0.33 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1xn6 h LYS 22 Cb 1.40 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 1xn6 h LYS 22 CO -0.00 0.01 0.11 0.28 -2.27 0.00 0.00 179.45 177.58 1xn6 h VAL 23 N -0.91 1.19 -0.14 2.00 2.07 0.19 -2.11 116.25 118.53 1xn6 h VAL 23 Ca -0.04 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1xn6 h VAL 23 Cb 0.50 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xn6 h VAL 23 CO 0.06 0.24 0.07 -0.25 0.02 0.00 0.00 177.57 177.71 1xn6 h TRP 24 N 0.61 0.13 -0.61 1.57 2.91 0.13 -0.41 115.95 120.29 1xn6 h TRP 24 Ca 0.14 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.33 1xn6 h TRP 24 Cb 0.22 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 1xn6 h TRP 24 CO 0.01 0.08 0.43 1.03 -1.03 0.00 0.00 178.44 178.96 1xn6 h SER 25 N 0.15 0.08 0.56 2.65 0.87 -0.56 1.56 113.55 118.86 1xn6 h SER 25 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1xn6 h SER 25 Cb 0.01 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xn6 h SER 25 CO -0.04 0.04 0.00 0.52 -0.53 0.00 0.00 176.83 176.83 1xn6 n VAL 26 N -4.39 0.33 -2.68 2.23 0.31 -0.19 -3.12 118.33 110.82 1xn6 n VAL 26 Ca 0.11 0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1xn6 n VAL 26 Cb 0.62 -0.70 0.03 0.00 -0.91 0.00 0.00 33.84 32.89 1xn6 n VAL 26 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xn6 n VAL 27 N -1.36 1.16 -2.03 2.52 0.24 0.52 -4.19 118.33 115.19 1xn6 n VAL 27 Ca 0.09 -3.15 -0.02 0.00 -2.04 0.00 0.00 64.34 59.22 1xn6 n VAL 27 Cb 0.21 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1xn6 n VAL 27 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xn6 n SER 28 N -0.21 -0.41 -3.31 -1.34 3.41 -0.63 -4.92 113.62 106.21 1xn6 n SER 28 Ca 0.11 -0.99 -0.19 0.00 -0.26 0.00 0.00 58.87 57.54 1xn6 n SER 28 Cb 0.81 0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.84 1xn6 n SER 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xn6 s THR 29 N 0.02 0.00 -0.26 6.66 -4.23 -1.24 -4.91 115.64 111.68 1xn6 s THR 29 Ca 0.01 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1xn6 s THR 29 Cb 0.06 -2.52 -0.14 0.00 1.34 0.00 0.00 72.50 71.24 1xn6 s THR 29 CO -0.02 0.00 -0.28 0.00 -0.54 0.00 0.00 174.62 173.78 1xn6 n ALA 30 N -0.63 1.38 0.10 3.99 0.00 -1.26 -4.08 120.51 120.02 1xn6 n ALA 30 Ca 0.07 -1.05 -0.23 0.00 0.00 0.00 0.00 53.44 52.23 1xn6 n ALA 30 Cb 0.62 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.96 1xn6 n ALA 30 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xn6 h GLU 31 N -0.45 0.43 -0.04 0.00 4.22 -1.96 -2.50 114.58 114.28 1xn6 h GLU 31 Ca -0.61 -0.73 0.04 0.00 0.08 0.00 0.00 59.36 58.13 1xn6 h GLU 31 Cb 1.73 0.27 -0.05 0.00 0.50 0.00 0.00 28.75 31.20 1xn6 h GLU 31 CO -0.24 1.35 -0.23 0.78 -2.18 0.00 0.00 179.01 178.49 1xn6 h GLY 32 N 0.00 -0.30 0.89 1.92 0.00 -1.86 0.29 103.07 104.00 1xn6 h GLY 32 Ca -0.23 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1xn6 h GLY 32 CO 0.21 -0.20 0.07 -2.22 0.00 0.00 0.00 176.54 174.41 1xn6 h ILE 33 N -0.34 1.21 0.00 2.60 2.04 -1.71 -1.38 117.51 119.93 1xn6 h ILE 33 Ca 0.07 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1xn6 h ILE 33 Cb 0.44 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1xn6 h ILE 33 CO -0.24 0.23 0.30 0.00 0.00 0.00 0.00 178.15 178.44 1xn6 h ALA 34 N 0.90 1.30 -0.17 1.87 0.00 -0.95 1.52 119.26 123.72 1xn6 h ALA 34 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xn6 h ALA 34 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xn6 h ALA 34 CO 0.00 -0.30 0.00 0.45 0.00 0.00 0.00 179.25 179.40 1xn6 n SER 35 N -2.89 0.95 -2.66 0.00 2.88 0.04 -3.87 113.62 108.07 1xn6 n SER 35 Ca -0.02 -1.98 -0.04 0.00 -1.33 0.00 0.00 58.87 55.51 1xn6 n SER 35 Cb 0.35 -0.12 0.05 0.00 -0.75 0.00 0.00 64.21 63.74 1xn6 n SER 35 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xn6 n TRP 36 N 0.01 -0.50 0.00 0.66 4.27 0.51 -4.76 117.44 117.62 1xn6 n TRP 36 Ca 0.06 -0.79 0.00 0.00 -3.89 0.00 0.00 57.50 52.89 1xn6 n TRP 36 Cb 0.15 1.20 0.00 0.00 -1.36 0.00 0.00 31.31 31.30 1xn6 n TRP 36 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn6 n PHE 37 N -0.05 -0.15 0.00 -2.67 7.35 -0.30 -4.87 117.46 116.78 1xn6 n PHE 37 Ca -0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.52 1xn6 n PHE 37 Cb 0.70 0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.56 1xn6 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xn6 n MET 38 N -1.54 0.00 -2.40 -4.13 0.00 -1.25 -5.00 117.12 102.80 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.27 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1xn6 s PRO 39 N -2.00 4.12 0.31 3.17 0.04 -1.26 -3.80 135.00 135.57 1xn6 s PRO 39 Ca 0.00 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1xn6 s PRO 39 Cb 0.00 -3.82 0.05 0.00 0.04 0.00 0.00 34.50 30.78 1xn6 s PRO 39 CO 0.00 -0.86 0.72 0.27 0.04 0.00 0.00 177.00 177.16 1xn6 n ASN 40 N 7.01 -1.88 -3.92 6.66 2.04 -1.26 -3.08 115.26 120.83 1xn6 n ASN 40 Ca 0.14 -2.25 -0.30 0.00 -0.44 0.00 0.00 54.58 51.73 1xn6 n ASN 40 Cb 0.45 3.12 -0.10 0.00 -2.53 0.00 0.00 39.78 40.73 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1xn6 n ASP 41 N -1.41 3.50 -4.44 0.53 9.92 -1.25 -4.78 116.55 118.63 1xn6 n ASP 41 Ca -0.07 -3.22 -0.32 0.00 -0.53 0.00 0.00 54.79 50.65 1xn6 n ASP 41 Cb 0.51 -0.84 0.14 0.00 -0.64 0.00 0.00 41.12 40.28 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1xn6 n PHE 42 N 1.93 -1.10 -3.66 1.24 7.35 -1.26 -4.73 117.46 117.23 1xn6 n PHE 42 Ca 0.22 0.23 -0.10 0.00 -0.76 0.00 0.00 57.45 57.03 1xn6 n PHE 42 Cb 0.36 -1.78 -0.11 0.00 0.35 0.00 0.00 39.48 38.30 1xn6 n PHE 42 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1xn6 s VAL 43 N -2.41 -0.50 -1.38 -2.13 0.11 -1.26 -4.79 120.40 108.04 1xn6 s VAL 43 Ca 0.59 0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 59.75 1xn6 s VAL 43 Cb -0.20 -0.58 0.09 0.00 -1.53 0.00 0.00 36.38 34.16 1xn6 s VAL 43 CO 0.66 0.08 2.25 -0.11 -3.33 0.00 0.00 175.10 174.66 1xn6 n LEU 44 N 5.25 7.43 -3.80 2.54 7.94 -1.26 -4.86 117.00 130.24 1xn6 n LEU 44 Ca -0.09 -4.59 -0.13 0.00 -1.11 0.00 0.00 56.01 50.09 1xn6 n LEU 44 Cb 0.50 -1.49 -0.15 0.00 0.53 0.00 0.00 43.42 42.82 1xn6 n LEU 44 CO 0.02 1.64 -0.31 -1.61 -1.11 0.00 0.00 177.39 176.02 1xn6 s GLU 45 N 0.70 0.02 0.40 1.96 0.41 -1.26 -5.11 118.70 115.82 1xn6 s GLU 45 Ca 0.50 0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 54.95 1xn6 s GLU 45 Cb 0.14 -0.12 -0.09 0.00 -1.78 0.00 0.00 34.13 32.28 1xn6 s GLU 45 CO -0.05 -0.10 1.37 0.08 -0.49 0.00 0.00 175.26 176.08 1xn6 s VAL 46 N 0.63 2.38 -1.13 2.63 1.01 -1.26 -1.76 120.40 122.91 1xn6 s VAL 46 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1xn6 s VAL 46 Cb -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1xn6 s VAL 46 CO -0.02 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1xn6 n GLY 47 N 0.62 0.32 2.98 4.51 0.00 -1.10 -4.85 105.19 107.68 1xn6 n GLY 47 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1xn6 n GLY 47 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xn6 n HIS 48 N -2.55 3.04 -1.72 1.61 -0.00 -0.72 -4.96 115.22 109.91 1xn6 n HIS 48 Ca -0.13 -3.11 -0.37 0.00 -0.00 0.00 0.00 57.72 54.11 1xn6 n HIS 48 Cb 0.49 -1.21 0.07 0.00 -0.00 0.00 0.00 29.99 29.34 1xn6 n HIS 48 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1xn6 n GLU 49 N 1.52 1.12 -3.75 1.57 0.28 -1.26 -4.47 120.64 115.65 1xn6 n GLU 49 Ca 0.26 0.44 -0.16 0.00 -0.16 0.00 0.00 57.16 57.54 1xn6 n GLU 49 Cb 0.35 -2.51 -0.06 0.00 1.43 0.00 0.00 31.44 30.66 1xn6 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1xn6 n PHE 50 N -1.87 -0.52 -4.05 -1.84 -1.74 -0.48 -5.00 117.46 101.96 1xn6 n PHE 50 Ca 0.16 -2.16 -0.31 0.00 -0.56 0.00 0.00 57.45 54.58 1xn6 n PHE 50 Cb 0.48 0.19 -0.06 0.00 1.52 0.00 0.00 39.48 41.61 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1xn6 s HIS 51 N -3.01 3.22 0.14 2.97 5.65 -1.26 -3.12 115.29 119.89 1xn6 s HIS 51 Ca 0.29 0.10 0.01 0.00 0.25 0.00 0.00 55.06 55.72 1xn6 s HIS 51 Cb 0.01 -1.64 -0.04 0.00 -1.18 0.00 0.00 32.58 29.73 1xn6 s HIS 51 CO 0.20 0.53 -0.01 0.08 -0.65 0.00 0.00 174.74 174.89 1xn6 s VAL 52 N -1.37 0.59 -0.18 0.89 1.01 -1.26 -3.84 120.40 116.24 1xn6 s VAL 52 Ca 0.29 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1xn6 s VAL 52 Cb -0.12 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1xn6 s VAL 52 CO 0.21 -0.60 -0.08 -1.10 0.00 0.00 0.00 175.10 173.53 1xn6 s GLN 53 N -3.91 1.78 0.25 2.72 -1.52 -1.18 -4.20 119.66 113.60 1xn6 s GLN 53 Ca 0.20 -0.67 0.06 0.00 -1.95 0.00 0.00 55.36 53.00 1xn6 s GLN 53 Cb 0.06 -2.20 -0.05 0.00 -0.22 0.00 0.00 33.01 30.59 1xn6 s GLN 53 CO 0.01 -0.41 -0.06 -1.54 -0.25 0.00 0.00 175.29 173.03 1xn6 s SER 54 N 1.51 2.47 0.22 5.90 1.04 -1.23 -4.21 113.70 119.41 1xn6 s SER 54 Ca 0.00 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.36 1xn6 s SER 54 Cb -0.16 -0.11 0.17 0.00 0.10 0.00 0.00 66.02 66.02 1xn6 s SER 54 CO -0.08 -0.36 1.50 1.55 0.98 0.00 0.00 173.24 176.83 1xn6 h PRO 55 N 2.39 0.00 -0.19 4.02 0.13 -2.00 -3.20 132.00 133.15 1xn6 h PRO 55 Ca -0.39 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 1xn6 h PRO 55 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xn6 h PRO 55 CO 0.66 0.74 -0.69 0.35 -0.23 0.00 0.00 178.00 178.83 1xn6 h PHE 56 N 0.00 1.01 0.00 1.56 3.04 -2.04 -3.49 116.94 117.02 1xn6 h PHE 56 Ca -0.01 -0.41 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1xn6 h PHE 56 Cb 1.32 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.66 1xn6 h PHE 56 CO 0.00 1.24 0.00 0.41 -2.02 0.00 0.00 178.31 177.94 1xn6 n GLY 57 N 0.56 -0.43 3.64 2.40 0.00 -1.21 -5.10 105.19 105.04 1xn6 n GLY 57 Ca -0.06 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1xn6 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn6 s PRO 58 N -2.00 4.02 -0.31 1.61 0.04 -1.26 -3.57 135.00 133.53 1xn6 s PRO 58 Ca 0.00 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1xn6 s PRO 58 Cb 0.00 -3.85 0.11 0.00 0.04 0.00 0.00 34.50 30.80 1xn6 s PRO 58 CO 0.00 -0.98 0.14 -1.54 0.04 0.00 0.00 177.00 174.65 1xn6 s SER 59 N 2.62 3.63 0.31 6.66 1.04 -1.26 -4.87 113.70 121.82 1xn6 s SER 59 Ca 0.57 -1.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.13 1xn6 s SER 59 Cb -0.19 -0.55 -0.09 0.00 0.10 0.00 0.00 66.02 65.28 1xn6 s SER 59 CO 0.21 -0.41 1.07 -2.16 0.98 0.00 0.00 173.24 172.93 1xn6 s PRO 60 N 1.72 4.53 0.28 4.02 0.04 -1.26 -4.27 135.00 140.07 1xn6 s PRO 60 Ca 0.11 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.91 1xn6 s PRO 60 Cb -0.18 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1xn6 s PRO 60 CO -0.26 0.14 0.32 0.00 0.04 0.00 0.00 177.00 177.25 1xn6 s LYS 62 N -3.98 0.01 0.27 0.00 2.20 -1.11 -1.38 119.74 115.74 1xn6 s LYS 62 Ca 0.37 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1xn6 s LYS 62 Cb -0.08 -0.93 -0.12 0.00 -1.51 0.00 0.00 37.83 35.19 1xn6 s LYS 62 CO 0.28 -0.46 1.51 0.28 -0.36 0.00 0.00 175.35 176.60 1xn6 n VAL 63 N 5.30 1.01 -0.10 4.02 0.31 -1.26 -1.36 118.33 126.25 1xn6 n VAL 63 Ca -0.05 -0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 63.87 1xn6 n VAL 63 Cb 0.50 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1xn6 n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xn6 n LEU 64 N 2.13 1.91 -4.10 7.52 4.77 0.59 -2.69 117.00 127.13 1xn6 n LEU 64 Ca 0.10 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 56.23 1xn6 n LEU 64 Cb 0.34 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1xn6 n LEU 64 CO 0.63 0.01 -0.44 -0.70 -1.33 0.00 0.00 177.39 175.57 1xn6 s GLU 65 N -2.75 0.76 -0.10 3.23 2.56 -1.07 -4.71 118.70 116.62 1xn6 s GLU 65 Ca -0.32 -0.71 0.02 0.00 0.00 0.00 0.00 54.97 53.97 1xn6 s GLU 65 Cb 0.08 -0.70 0.01 0.00 2.00 0.00 0.00 34.13 35.51 1xn6 s GLU 65 CO 0.44 0.17 -0.18 0.42 -0.56 0.00 0.00 175.26 175.55 1xn6 s ILE 66 N -0.94 1.64 -0.47 -3.70 1.01 -1.26 -1.78 121.20 115.70 1xn6 s ILE 66 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1xn6 s ILE 66 Cb -0.08 -1.47 0.22 0.00 0.01 0.00 0.00 42.46 41.15 1xn6 s ILE 66 CO 0.01 0.47 0.88 0.47 0.00 0.00 0.00 174.94 176.77 1xn6 n ASP 67 N 3.94 -2.84 -0.26 3.58 8.00 -0.49 -4.99 116.55 123.48 1xn6 n ASP 67 Ca -0.20 -2.86 0.01 0.00 0.71 0.00 0.00 54.79 52.45 1xn6 n ASP 67 Cb 0.52 1.62 0.09 0.00 -0.02 0.00 0.00 41.12 43.33 1xn6 n ASP 67 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xn6 h GLU 68 N 4.27 -0.00 -2.69 -1.24 4.81 -1.97 1.15 114.58 118.92 1xn6 h GLU 68 Ca -0.08 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.85 1xn6 h GLU 68 Cb 1.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1xn6 h GLU 68 CO 0.14 -0.00 1.30 -0.35 -0.73 0.00 0.00 179.01 179.37 1xn6 n PRO 69 N -5.50 2.07 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.22 1xn6 n PRO 69 Ca 0.10 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1xn6 n PRO 69 Cb 0.39 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1xn6 n PRO 69 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn6 n ASN 70 N 3.20 0.00 0.00 3.54 4.05 -0.45 -5.15 115.26 120.45 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.47 1xn6 n ASN 70 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xn6 n HIS 71 N 0.00 0.00 -3.84 1.20 1.44 0.39 -2.50 115.22 111.90 1xn6 n HIS 71 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 1xn6 n HIS 71 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 1xn6 n HIS 71 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 1xn6 s LEU 72 N 0.00 0.24 0.08 2.39 2.34 -1.25 -1.40 118.68 121.08 1xn6 s LEU 72 Ca 0.00 -0.65 0.02 0.00 0.06 0.00 0.00 54.13 53.56 1xn6 s LEU 72 Cb 0.00 1.96 -0.03 0.00 -0.56 0.00 0.00 46.19 47.56 1xn6 s LEU 72 CO 0.00 -1.07 -0.07 -0.94 -1.06 0.00 0.00 176.35 173.20 1xn6 s SER 73 N -2.92 1.08 -0.02 1.48 1.04 -0.73 -3.49 113.70 110.14 1xn6 s SER 73 Ca 0.13 -0.82 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 1xn6 s SER 73 Cb -0.01 0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.23 1xn6 s SER 73 CO 0.01 -0.35 0.55 0.72 0.98 0.00 0.00 173.24 175.15 1xn6 s PHE 74 N -2.68 -0.48 0.32 5.02 -0.71 -1.21 -0.30 117.98 117.94 1xn6 s PHE 74 Ca 0.03 0.76 0.02 0.00 -1.04 0.00 0.00 56.93 56.70 1xn6 s PHE 74 Cb -0.01 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1xn6 s PHE 74 CO -0.02 -0.56 0.50 -1.54 -1.34 0.00 0.00 175.22 172.26 1xn6 s SER 75 N -1.39 6.30 -0.11 1.98 1.04 -0.46 -2.95 113.70 118.10 1xn6 s SER 75 Ca -0.11 0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.71 1xn6 s SER 75 Cb -0.02 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.13 1xn6 s SER 75 CO 0.06 -0.24 -0.21 0.86 0.98 0.00 0.00 173.24 174.69 1xn6 s TRP 76 N -2.23 2.41 1.19 5.02 -0.11 -1.09 -2.77 118.94 121.36 1xn6 s TRP 76 Ca 0.38 -1.10 -0.19 0.00 1.22 0.00 0.00 56.10 56.42 1xn6 s TRP 76 Cb -0.09 -1.65 0.28 0.00 -1.50 0.00 0.00 33.47 30.51 1xn6 s TRP 76 CO 0.34 -0.49 1.13 -0.51 -4.62 0.00 0.00 176.95 172.80 1xn6 s ASP 77 N 0.65 1.05 -1.30 5.86 1.11 -1.09 -3.90 116.67 119.05 1xn6 s ASP 77 Ca -0.12 0.58 -0.02 0.00 0.18 0.00 0.00 52.55 53.17 1xn6 s ASP 77 Cb -0.16 -0.78 0.00 0.00 1.07 0.00 0.00 42.92 43.05 1xn6 s ASP 77 CO 0.03 -4.04 0.04 0.35 1.18 0.00 0.00 175.17 172.72 1xn6 n THR 78 N -4.70 -0.94 0.00 -1.27 -2.24 -1.26 -4.77 114.28 99.11 1xn6 n THR 78 Ca 0.14 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1xn6 n THR 78 Cb 0.60 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xn6 n ASP 79 N -2.37 0.00 -2.54 3.42 8.00 -1.25 -4.94 116.55 116.87 1xn6 n ASP 79 Ca -0.27 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.13 1xn6 n ASP 79 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 1xn6 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xn6 n GLY 80 N 0.00 2.30 3.50 0.44 0.00 -1.26 -4.47 105.19 105.70 1xn6 n GLY 80 Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 1xn6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 81 N 2.52 2.41 -0.02 1.61 0.51 -1.26 -4.42 118.94 120.30 1xn6 s TRP 81 Ca 0.34 -0.30 0.02 0.00 -2.12 0.00 0.00 56.10 54.03 1xn6 s TRP 81 Cb 0.14 -1.11 0.00 0.00 -0.81 0.00 0.00 33.47 31.69 1xn6 s TRP 81 CO -0.01 0.61 -0.07 0.08 -0.51 0.00 0.00 176.95 177.05 1xn6 s VAL 82 N -2.12 0.62 -0.09 4.03 1.01 0.62 -2.67 120.40 121.80 1xn6 s VAL 82 Ca 0.27 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1xn6 s VAL 82 Cb -0.07 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1xn6 s VAL 82 CO 0.14 0.20 -0.17 -0.69 0.00 0.00 0.00 175.10 174.58 1xn6 s VAL 83 N 0.13 1.55 0.02 2.92 1.01 -1.15 -1.27 120.40 123.61 1xn6 s VAL 83 Ca -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1xn6 s VAL 83 Cb -0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1xn6 s VAL 83 CO -0.00 0.45 -0.05 -0.94 0.00 0.00 0.00 175.10 174.56 1xn6 s SER 84 N 0.63 0.54 -0.24 3.32 1.04 -0.10 -3.29 113.70 115.61 1xn6 s SER 84 Ca -0.14 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1xn6 s SER 84 Cb -0.16 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.02 1xn6 s SER 84 CO 0.04 -0.12 -0.12 -0.36 0.98 0.00 0.00 173.24 173.66 1xn6 s PHE 85 N -0.87 3.13 0.29 5.02 0.08 -1.23 -1.09 117.98 123.31 1xn6 s PHE 85 Ca -0.07 -2.06 -0.10 0.00 0.12 0.00 0.00 56.93 54.83 1xn6 s PHE 85 Cb -0.06 -1.95 -0.07 0.00 -0.57 0.00 0.00 43.02 40.36 1xn6 s PHE 85 CO -0.00 -0.84 0.62 -0.51 -0.10 0.00 0.00 175.22 174.39 1xn6 s ASP 86 N 1.18 6.61 0.03 1.36 1.11 0.19 -3.90 116.67 123.24 1xn6 s ASP 86 Ca -0.04 0.99 0.04 0.00 0.18 0.00 0.00 52.55 53.71 1xn6 s ASP 86 Cb -0.18 -2.26 -0.02 0.00 1.07 0.00 0.00 42.92 41.54 1xn6 s ASP 86 CO -0.07 -0.17 -0.11 -0.76 1.18 0.00 0.00 175.17 175.24 1xn6 s LEU 87 N -3.14 2.17 -0.11 1.23 1.02 -1.04 -2.11 118.68 116.70 1xn6 s LEU 87 Ca 0.49 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 1xn6 s LEU 87 Cb -0.11 -0.41 0.05 0.00 0.02 0.00 0.00 46.19 45.74 1xn6 s LEU 87 CO 0.23 -0.03 0.10 -0.75 0.02 0.00 0.00 176.35 175.92 1xn6 s LYS 88 N -1.09 0.01 -0.08 1.70 2.20 -0.12 -4.83 119.74 117.53 1xn6 s LYS 88 Ca -0.02 0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1xn6 s LYS 88 Cb -0.07 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 1xn6 s LYS 88 CO 0.01 -0.47 1.36 0.34 -0.36 0.00 0.00 175.35 176.23 1xn6 s ASP 89 N 2.19 6.89 -0.14 1.43 -1.08 -1.26 0.08 116.67 124.79 1xn6 s ASP 89 Ca 0.04 1.92 -0.02 0.00 -0.52 0.00 0.00 52.55 53.97 1xn6 s ASP 89 Cb -0.14 -2.55 -0.08 0.00 -1.46 0.00 0.00 42.92 38.70 1xn6 s ASP 89 CO -0.06 -0.75 -0.14 0.18 0.52 0.00 0.00 175.17 174.92 1xn6 n LEU 90 N 6.11 2.19 0.00 -1.34 4.77 -1.07 -4.93 117.00 122.74 1xn6 n LEU 90 Ca 0.14 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1xn6 n LEU 90 Cb 0.44 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xn6 n LEU 90 CO 0.58 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1xn6 n GLY 91 N 2.56 0.10 2.60 -0.72 0.00 -0.73 -4.96 105.19 104.05 1xn6 n GLY 91 Ca -0.25 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.35 1xn6 n GLY 91 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn6 n ASP 92 N 0.00 -3.53 -2.20 1.61 8.00 -1.26 0.19 116.55 119.36 1xn6 n ASP 92 Ca 0.00 0.13 -0.17 0.00 0.71 0.00 0.00 54.79 55.47 1xn6 n ASP 92 Cb 0.00 -3.01 0.02 0.00 -0.02 0.00 0.00 41.12 38.11 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xn6 n ASN 93 N -1.85 -4.98 -4.22 -2.24 4.13 -1.26 -4.92 115.26 99.91 1xn6 n ASN 93 Ca -0.11 -0.16 -0.20 0.00 1.68 0.00 0.00 54.58 55.79 1xn6 n ASN 93 Cb 0.59 -3.92 -0.12 0.00 -1.54 0.00 0.00 39.78 34.79 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xn6 s LYS 94 N -5.23 0.95 -0.09 3.52 1.02 0.50 0.22 119.74 120.63 1xn6 s LYS 94 Ca 0.16 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 1xn6 s LYS 94 Cb -0.07 -1.05 0.03 0.00 -0.52 0.00 0.00 37.83 36.22 1xn6 s LYS 94 CO 0.20 0.23 0.32 0.99 -0.92 0.00 0.00 175.35 176.17 1xn6 s THR 95 N -1.32 0.02 -0.23 2.17 2.01 -0.92 -1.77 115.64 115.59 1xn6 s THR 95 Ca 0.02 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.66 1xn6 s THR 95 Cb -0.09 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1xn6 s THR 95 CO 0.03 -0.08 0.74 -0.70 -0.69 0.00 0.00 174.62 173.92 1xn6 s GLU 96 N -0.25 4.17 -0.21 4.92 2.12 0.11 -2.81 118.70 126.77 1xn6 s GLU 96 Ca -0.04 0.78 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 1xn6 s GLU 96 Cb -0.03 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 1xn6 s GLU 96 CO 0.01 -0.43 0.05 0.12 -0.54 0.00 0.00 175.26 174.47 1xn6 s PHE 97 N 2.55 3.14 -0.26 5.30 5.36 0.63 -0.94 117.98 133.76 1xn6 s PHE 97 Ca 0.32 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 1xn6 s PHE 97 Cb -0.16 -2.13 0.07 0.00 -0.34 0.00 0.00 43.02 40.47 1xn6 s PHE 97 CO 0.08 -0.10 0.01 0.99 -1.46 0.00 0.00 175.22 174.74 1xn6 s THR 98 N 0.93 1.27 -0.05 0.12 2.01 -0.90 -0.75 115.64 118.27 1xn6 s THR 98 Ca 0.03 -1.26 -0.18 0.00 0.31 0.00 0.00 61.69 60.59 1xn6 s THR 98 Cb -0.14 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1xn6 s THR 98 CO 0.03 -0.31 0.50 -0.22 -0.69 0.00 0.00 174.62 173.92 1xn6 s LEU 99 N 1.48 4.37 -0.07 4.42 2.96 -0.97 -0.64 118.68 130.24 1xn6 s LEU 99 Ca 0.01 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 1xn6 s LEU 99 Cb -0.18 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.78 1xn6 s LEU 99 CO -0.11 0.11 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.31 1xn6 s ILE 100 N -0.06 0.92 -0.19 6.68 1.09 -0.25 -0.95 121.20 128.44 1xn6 s ILE 100 Ca 0.27 -0.32 -0.02 0.00 -1.10 0.00 0.00 60.65 59.49 1xn6 s ILE 100 Cb -0.17 -0.89 0.05 0.00 -1.06 0.00 0.00 42.46 40.40 1xn6 s ILE 100 CO 0.13 0.32 -0.00 -2.28 -0.10 0.00 0.00 174.94 173.01 1xn6 s HIS 101 N 1.00 1.41 0.00 3.97 5.65 -1.21 -0.92 115.29 125.20 1xn6 s HIS 101 Ca -0.09 -1.04 0.00 0.00 0.25 0.00 0.00 55.06 54.18 1xn6 s HIS 101 Cb -0.15 -1.18 0.00 0.00 -1.18 0.00 0.00 32.58 30.07 1xn6 s HIS 101 CO -0.00 -0.63 0.00 0.41 -0.65 0.00 0.00 174.74 173.87 1xn6 n GLY 102 N 4.94 6.03 0.00 1.59 0.00 -0.39 -3.00 105.19 114.36 1xn6 n GLY 102 Ca -0.10 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1xn6 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xn6 n GLY 103 N 3.82 1.32 2.74 -0.02 0.00 -1.26 -0.28 105.19 111.52 1xn6 n GLY 103 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1xn6 n GLY 103 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn6 n TRP 104 N 0.00 -3.43 0.00 1.61 7.02 -1.26 -4.82 117.44 116.56 1xn6 n TRP 104 Ca 0.00 -1.09 0.00 0.00 -1.02 0.00 0.00 57.50 55.39 1xn6 n TRP 104 Cb 0.00 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.29 1xn6 n TRP 104 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn6 n LYS 105 N -2.58 0.00 -4.03 -0.99 5.02 -1.26 -5.00 118.16 109.32 1xn6 n LYS 105 Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 1xn6 n LYS 105 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xn6 s HIS 106 N -0.94 3.24 -0.47 2.13 3.76 -1.26 -1.87 115.29 119.88 1xn6 s HIS 106 Ca 0.00 0.09 0.26 0.00 -0.15 0.00 0.00 55.06 55.26 1xn6 s HIS 106 Cb 0.00 -1.63 0.89 0.00 1.11 0.00 0.00 32.58 32.95 1xn6 s HIS 106 CO 0.00 0.53 1.76 -1.00 -0.85 0.00 0.00 174.74 175.18 1xn6 h PRO 107 N 3.14 0.00 0.00 8.40 0.13 -1.97 -3.21 132.00 138.49 1xn6 h PRO 107 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1xn6 h PRO 107 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1xn6 h PRO 107 CO 0.67 0.00 -0.69 0.22 -0.23 0.00 0.00 178.00 177.97 1xn6 h ASP 108 N 0.00 0.00 -3.35 1.44 1.82 -2.01 -3.39 116.42 110.94 1xn6 h ASP 108 Ca 0.00 -0.73 -0.57 0.00 -0.39 0.00 0.00 57.03 55.34 1xn6 h ASP 108 Cb 0.61 -0.00 0.14 0.00 0.68 0.00 0.00 39.33 40.76 1xn6 h ASP 108 CO 0.00 1.27 0.24 -1.84 -1.61 0.00 0.00 179.24 177.30 1xn6 n GLU 109 N -4.51 1.37 -4.43 0.28 0.28 -1.21 -4.87 120.64 107.55 1xn6 n GLU 109 Ca -0.22 0.50 -0.24 0.00 -0.16 0.00 0.00 57.16 57.03 1xn6 n GLU 109 Cb 0.59 -2.17 -0.10 0.00 1.43 0.00 0.00 31.44 31.19 1xn6 n GLU 109 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xn6 s ILE 110 N -1.33 2.65 0.36 3.84 -1.09 -1.26 -4.25 121.20 120.13 1xn6 s ILE 110 Ca 0.66 -2.24 -0.06 0.00 -2.23 0.00 0.00 60.65 56.77 1xn6 s ILE 110 Cb -0.50 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 1xn6 s ILE 110 CO 0.54 -0.34 0.66 -0.76 -1.23 0.00 0.00 174.94 173.80 1xn6 s LEU 111 N -3.39 3.92 -0.02 2.97 1.02 -1.26 -4.96 118.68 116.95 1xn6 s LEU 111 Ca 0.29 0.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.27 1xn6 s LEU 111 Cb -0.06 -3.72 -0.02 0.00 0.02 0.00 0.00 46.19 42.41 1xn6 s LEU 111 CO 0.15 -0.32 0.30 1.55 0.02 0.00 0.00 176.35 178.06 1xn6 h PRO 112 N 1.30 -0.13 0.07 1.29 0.13 -1.98 -1.67 132.00 131.01 1xn6 h PRO 112 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xn6 h PRO 112 Cb 1.19 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xn6 h PRO 112 CO 0.64 -0.08 -0.14 0.87 -0.23 0.00 0.00 178.00 179.06 1xn6 h LYS 113 N -0.42 -0.22 0.00 0.86 1.57 -1.97 -3.26 116.57 113.12 1xn6 h LYS 113 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xn6 h LYS 113 Cb 0.10 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xn6 h LYS 113 CO 0.02 -0.15 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 1xn6 n ALA 114 N -2.52 -0.12 -1.42 3.86 0.00 -1.26 -4.96 120.51 114.08 1xn6 n ALA 114 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xn6 n ALA 114 Cb 0.12 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1xn6 n ALA 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xn6 n ASN 115 N -1.46 -1.90 -3.48 0.00 5.15 -0.63 -5.01 115.26 107.94 1xn6 n ASN 115 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1xn6 n ASN 115 Cb 0.00 -0.67 -0.03 0.00 -0.53 0.00 0.00 39.78 38.55 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 s ALA 116 N -2.95 -1.75 -0.23 5.20 0.00 -1.26 -4.97 121.76 115.81 1xn6 s ALA 116 Ca 0.00 0.94 -0.36 0.00 0.00 0.00 0.00 51.96 52.54 1xn6 s ALA 116 Cb 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 23.12 23.38 1xn6 s ALA 116 CO 0.00 -0.62 1.93 1.63 0.00 0.00 0.00 175.76 178.70 1xn6 n LYS 117 N 0.01 1.54 -0.03 0.00 5.02 -1.26 -4.29 118.16 119.15 1xn6 n LYS 117 Ca -0.14 0.53 0.24 0.00 -2.02 0.00 0.00 58.31 56.93 1xn6 n LYS 117 Cb 0.62 -2.43 0.70 0.00 -0.02 0.00 0.00 35.03 33.90 1xn6 n LYS 117 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xn6 h SER 118 N 9.54 0.00 0.02 4.39 4.64 -1.75 0.26 113.55 130.65 1xn6 h SER 118 Ca -0.42 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.85 1xn6 h SER 118 Cb 1.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1xn6 h SER 118 CO 0.97 0.00 -0.23 0.77 -0.87 0.00 0.00 176.83 177.48 1xn6 h SER 119 N 0.00 0.16 -0.60 4.97 4.64 -1.86 -1.29 113.55 119.57 1xn6 h SER 119 Ca 0.30 -0.88 0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1xn6 h SER 119 Cb 1.53 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.51 1xn6 h SER 119 CO -0.00 1.02 0.27 0.40 -0.87 0.00 0.00 176.83 177.65 1xn6 h ILE 120 N -0.68 0.86 -0.48 0.95 2.04 -0.94 -0.22 117.51 119.04 1xn6 h ILE 120 Ca -0.03 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1xn6 h ILE 120 Cb 1.08 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xn6 h ILE 120 CO 0.04 0.09 -0.15 0.40 0.00 0.00 0.00 178.15 178.53 1xn6 h ILE 121 N 0.49 1.27 -0.34 -0.67 1.08 -1.06 -1.27 117.51 117.00 1xn6 h ILE 121 Ca 0.29 -1.28 0.07 0.00 -0.39 0.00 0.00 64.86 63.55 1xn6 h ILE 121 Cb 0.29 1.06 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 1xn6 h ILE 121 CO -0.25 0.44 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.43 1xn6 h ARG 122 N 0.81 -0.07 -0.07 2.37 2.43 0.15 1.30 114.38 121.29 1xn6 h ARG 122 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1xn6 h ARG 122 Cb 0.69 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1xn6 h ARG 122 CO 0.05 -0.05 0.01 0.22 -1.51 0.00 0.00 179.97 178.69 1xn6 h ASP 123 N -0.08 0.11 -0.11 -3.80 3.58 -1.08 1.43 116.42 116.48 1xn6 h ASP 123 Ca 0.17 -0.28 0.04 0.00 0.42 0.00 0.00 57.03 57.38 1xn6 h ASP 123 Cb 0.34 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 1xn6 h ASP 123 CO -0.39 0.36 -0.20 0.03 -2.88 0.00 0.00 179.24 176.16 1xn6 h ARG 124 N -0.15 -0.26 -0.15 0.28 2.47 -0.48 0.75 114.38 116.83 1xn6 h ARG 124 Ca 0.02 0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.61 1xn6 h ARG 124 Cb 0.31 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1xn6 h ARG 124 CO 0.00 -0.17 -0.54 0.52 0.56 0.00 0.00 179.97 180.34 1xn6 h MET 125 N -0.27 0.45 0.31 0.04 2.86 0.17 -2.44 114.93 116.06 1xn6 h MET 125 Ca 0.09 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1xn6 h MET 125 Cb 0.40 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1xn6 h MET 125 CO -0.26 0.88 -0.15 1.03 1.06 0.00 0.00 176.91 179.47 1xn6 h SER 126 N 0.35 -0.35 0.44 1.22 0.87 0.27 -0.75 113.55 115.60 1xn6 h SER 126 Ca 0.01 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1xn6 h SER 126 Cb 1.06 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1xn6 h SER 126 CO 0.10 -0.16 -0.35 1.23 -0.53 0.00 0.00 176.83 177.11 1xn6 h GLY 127 N -0.52 -1.07 -0.42 5.77 0.00 0.47 0.57 103.07 107.87 1xn6 h GLY 127 Ca -0.04 0.47 0.32 0.00 0.00 0.00 0.00 47.33 48.08 1xn6 h GLY 127 CO 0.07 -0.35 0.76 -1.33 0.00 0.00 0.00 176.54 175.69 1xn6 h GLY 128 N -0.76 0.95 1.24 4.60 0.00 -1.48 1.24 103.07 108.85 1xn6 h GLY 128 Ca -0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 47.33 46.90 1xn6 h GLY 128 CO 0.00 -0.16 -0.84 1.49 0.00 0.00 0.00 176.54 177.04 1xn6 h TRP 129 N 0.24 1.01 0.51 5.60 -0.00 -0.44 0.98 115.95 123.86 1xn6 h TRP 129 Ca 0.64 -0.47 -0.03 0.00 -0.00 0.00 0.00 58.89 59.03 1xn6 h TRP 129 Cb 1.93 -0.15 0.01 0.00 -0.00 0.00 0.00 29.16 30.95 1xn6 h TRP 129 CO -0.00 1.30 -0.25 0.28 -0.00 0.00 0.00 178.44 179.77 1xn6 h VAL 130 N 0.48 0.49 0.22 1.49 2.07 0.68 1.03 116.25 122.72 1xn6 h VAL 130 Ca -0.07 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1xn6 h VAL 130 Cb 1.47 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1xn6 h VAL 130 CO 0.17 0.01 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 1xn6 h ALA 131 N -0.23 -0.30 -0.82 1.67 0.00 -0.51 0.85 119.26 119.93 1xn6 h ALA 131 Ca -0.07 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1xn6 h ALA 131 Cb 0.54 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1xn6 h ALA 131 CO 0.12 -0.65 0.54 0.82 0.00 0.00 0.00 179.25 180.07 1xn6 h ILE 132 N -0.33 0.90 -0.18 0.00 2.04 -0.70 1.10 117.51 120.34 1xn6 h ILE 132 Ca -0.03 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 1xn6 h ILE 132 Cb 0.25 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1xn6 h ILE 132 CO 0.05 0.13 -0.31 0.58 0.00 0.00 0.00 178.15 178.60 1xn6 h VAL 133 N 0.70 1.27 -0.89 1.67 2.07 0.19 -1.64 116.25 119.62 1xn6 h VAL 133 Ca 0.39 -1.33 -0.58 0.00 0.82 0.00 0.00 66.70 66.01 1xn6 h VAL 133 Cb 0.56 1.48 -0.40 0.00 -1.52 0.00 0.00 31.29 31.41 1xn6 h VAL 133 CO -0.16 0.41 -0.50 0.59 0.02 0.00 0.00 177.57 177.93 1xn6 n ASN 134 N -4.10 5.41 0.05 0.57 3.02 0.11 -2.91 115.26 117.42 1xn6 n ASN 134 Ca -0.01 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1xn6 n ASN 134 Cb 0.42 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 1xn6 n ASN 134 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xn6 n GLU 135 N -0.72 0.00 -0.02 3.52 -0.58 0.34 -4.89 120.64 118.29 1xn6 n GLU 135 Ca 0.47 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.17 1xn6 n GLU 135 Cb 0.88 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.73 1xn6 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xn6 n LYS 136 N -2.79 0.23 -0.34 3.49 5.02 -0.66 -4.09 118.16 119.01 1xn6 n LYS 136 Ca 0.00 0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1xn6 n LYS 136 Cb 0.00 -0.85 -0.08 0.00 -0.02 0.00 0.00 35.03 34.08 1xn6 n LYS 136 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xn6 n LEU 137 N -3.68 -0.86 0.16 -0.35 -0.00 -0.94 0.19 117.00 111.52 1xn6 n LEU 137 Ca -0.06 1.47 -0.15 0.00 -0.00 0.00 0.00 56.01 57.27 1xn6 n LEU 137 Cb 0.23 -0.20 -0.07 0.00 -0.00 0.00 0.00 43.42 43.38 1xn6 n LEU 137 CO 0.09 -1.20 0.62 0.50 -0.00 0.00 0.00 177.39 177.40 1xn6 h LYS 138 N 0.00 -0.64 -0.60 1.96 3.64 -1.76 0.11 116.57 119.27 1xn6 h LYS 138 Ca 0.14 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1xn6 h LYS 138 Cb 0.34 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.19 1xn6 h LYS 138 CO -0.78 -0.43 -0.19 -0.22 -2.27 0.00 0.00 179.45 175.57 1xn6 h LYS 139 N -0.66 -0.03 -0.02 1.90 3.11 -0.19 1.62 116.57 122.29 1xn6 h LYS 139 Ca 0.00 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.88 1xn6 h LYS 139 Cb 0.65 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.84 1xn6 h LYS 139 CO -0.15 -0.02 -0.31 0.28 -2.81 0.00 0.00 179.45 176.43 1xn6 h VAL 140 N -0.04 0.32 0.62 2.00 2.07 0.28 1.32 116.25 122.82 1xn6 h VAL 140 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 1xn6 h VAL 140 Cb 0.47 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1xn6 h VAL 140 CO -0.64 0.00 -0.35 0.58 0.02 0.00 0.00 177.57 177.18 1xn6 h VAL 141 N -0.45 0.28 -0.71 2.57 2.07 0.13 -2.62 116.25 117.52 1xn6 h VAL 141 Ca 0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.74 1xn6 h VAL 141 Cb 0.55 0.28 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 1xn6 h VAL 141 CO -0.28 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.39 1xn6 h GLU 142 N -0.91 0.25 0.00 1.57 4.81 0.26 -3.48 114.58 117.08 1xn6 h GLU 142 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xn6 h GLU 142 Cb 0.73 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1xn6 h GLU 142 CO 0.10 0.16 0.00 0.41 -0.73 0.00 0.00 179.01 178.95