#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 n GLU 2 N 0.00 -0.67 -1.46 2.12 4.07 -1.26 -4.95 120.64 118.49 1xn6 n GLU 2 Ca 0.00 -1.71 -0.52 0.00 -0.06 0.00 0.00 57.16 54.87 1xn6 n GLU 2 Cb 0.00 -0.88 -0.05 0.00 -0.06 0.00 0.00 31.44 30.46 1xn6 n GLU 2 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1xn6 n GLN 3 N -2.91 0.18 -2.19 5.31 7.27 -1.26 -4.85 117.38 118.93 1xn6 n GLN 3 Ca 0.13 0.06 -0.39 0.00 0.07 0.00 0.00 57.00 56.87 1xn6 n GLN 3 Cb 0.44 -1.30 -0.01 0.00 2.41 0.00 0.00 30.24 31.78 1xn6 n GLN 3 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1xn6 s GLN 4 N -0.63 4.04 0.19 3.69 0.74 -1.26 -5.02 119.66 121.41 1xn6 s GLN 4 Ca 0.74 1.98 -0.23 0.00 0.05 0.00 0.00 55.36 57.89 1xn6 s GLN 4 Cb -1.02 -2.74 0.05 0.00 1.10 0.00 0.00 33.01 30.40 1xn6 s GLN 4 CO 0.56 -0.37 0.75 -0.80 -0.55 0.00 0.00 175.29 174.88 1xn6 s ASN 5 N -0.95 -0.34 0.37 6.67 0.01 -1.26 -5.15 114.94 114.30 1xn6 s ASN 5 Ca 0.56 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1xn6 s ASN 5 Cb -0.34 0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.93 1xn6 s ASN 5 CO 0.43 -1.08 0.00 0.41 -1.51 0.00 0.00 177.10 175.35 1xn6 n THR 6 N -0.42 0.00 -2.60 1.60 -1.04 -1.26 -4.91 114.28 105.66 1xn6 n THR 6 Ca -0.08 0.33 -0.24 0.00 -2.04 0.00 0.00 64.05 62.01 1xn6 n THR 6 Cb 0.61 -0.72 0.13 0.00 -1.82 0.00 0.00 70.33 68.53 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 -6.33 2.91 0.00 -4.42 1.43 0.46 -4.85 118.68 107.89 1xn6 s LEU 7 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1xn6 s LEU 7 Cb 0.00 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 1xn6 s LEU 7 CO 0.00 -2.04 0.02 -3.20 0.23 0.00 0.00 176.35 171.35 1xn6 n ASN 8 N -2.94 0.02 -4.47 2.29 5.15 -1.26 -4.96 115.26 109.09 1xn6 n ASN 8 Ca 0.17 -1.13 -0.40 0.00 -0.60 0.00 0.00 54.58 52.62 1xn6 n ASN 8 Cb 0.61 0.10 -0.11 0.00 -0.53 0.00 0.00 39.78 39.85 1xn6 n ASN 8 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1xn6 s ASP 9 N -1.14 5.84 -0.85 1.20 1.11 -1.26 -4.83 116.67 116.73 1xn6 s ASP 9 Ca 0.02 -0.56 -0.22 0.00 0.18 0.00 0.00 52.55 51.97 1xn6 s ASP 9 Cb 0.00 -2.08 -0.21 0.00 1.07 0.00 0.00 42.92 41.70 1xn6 s ASP 9 CO 0.02 -0.25 2.41 -0.38 1.18 0.00 0.00 175.17 178.15 1xn6 n ILE 10 N 5.05 -0.02 -3.69 0.77 5.41 -0.89 -4.69 119.36 121.31 1xn6 n ILE 10 Ca -0.13 -0.42 -0.34 0.00 1.00 0.00 0.00 62.75 62.86 1xn6 n ILE 10 Cb 0.49 -1.14 -0.05 0.00 -0.71 0.00 0.00 39.64 38.23 1xn6 n ILE 10 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn6 s LYS 11 N 8.23 3.64 -0.35 0.38 2.20 -1.25 -2.19 119.74 130.41 1xn6 s LYS 11 Ca 1.18 -0.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.81 1xn6 s LYS 11 Cb -0.67 -3.01 0.15 0.00 -1.51 0.00 0.00 37.83 32.79 1xn6 s LYS 11 CO 0.38 0.59 0.35 -0.65 -0.36 0.00 0.00 175.35 175.66 1xn6 s GLN 12 N -1.98 0.56 -0.17 4.03 -0.21 -0.46 -4.94 119.66 116.49 1xn6 s GLN 12 Ca 0.32 -0.69 -0.22 0.00 0.02 0.00 0.00 55.36 54.78 1xn6 s GLN 12 Cb -0.13 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 1xn6 s GLN 12 CO 0.19 -1.16 0.67 0.99 -2.12 0.00 0.00 175.29 173.86 1xn6 s THR 13 N 1.65 5.00 0.04 -0.19 2.01 -1.26 -2.22 115.64 120.68 1xn6 s THR 13 Ca 0.15 1.30 -0.14 0.00 0.31 0.00 0.00 61.69 63.30 1xn6 s THR 13 Cb -0.15 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1xn6 s THR 13 CO -0.11 0.12 0.32 -0.51 -0.69 0.00 0.00 174.62 173.75 1xn6 s ILE 14 N 1.76 0.08 -0.16 1.82 2.07 0.57 -5.00 121.20 122.33 1xn6 s ILE 14 Ca 0.32 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1xn6 s ILE 14 Cb -0.16 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1xn6 s ILE 14 CO 0.12 -0.36 -0.16 -0.69 -1.91 0.00 0.00 174.94 171.94 1xn6 s VAL 15 N -2.52 2.51 0.13 4.00 1.01 -1.26 0.65 120.40 124.91 1xn6 s VAL 15 Ca -0.05 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1xn6 s VAL 15 Cb -0.01 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1xn6 s VAL 15 CO -0.03 0.52 0.07 -0.36 0.00 0.00 0.00 175.10 175.29 1xn6 s PHE 16 N 0.97 3.07 -1.42 5.22 0.08 -0.95 -4.98 117.98 119.97 1xn6 s PHE 16 Ca -0.03 -0.01 -0.15 0.00 0.12 0.00 0.00 56.93 56.86 1xn6 s PHE 16 Cb -0.15 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.83 1xn6 s PHE 16 CO -0.03 0.51 2.12 -1.71 -0.10 0.00 0.00 175.22 176.01 1xn6 n ASN 17 N 0.12 4.11 -1.75 1.36 2.85 -1.26 -2.71 115.26 117.99 1xn6 n ASN 17 Ca -0.09 -2.86 -0.02 0.00 -0.11 0.00 0.00 54.58 51.49 1xn6 n ASN 17 Cb 0.53 -1.67 0.01 0.00 1.24 0.00 0.00 39.78 39.89 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 n ALA 18 N 6.43 -0.82 -2.71 5.20 0.00 0.35 -4.82 120.51 124.15 1xn6 n ALA 18 Ca 0.51 -0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.28 1xn6 n ALA 18 Cb 0.40 0.30 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 1xn6 n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xn6 s SER 19 N -1.83 4.94 0.30 0.00 0.01 -1.26 -0.06 113.70 115.80 1xn6 s SER 19 Ca 0.07 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.92 1xn6 s SER 19 Cb -0.01 -1.08 0.65 0.00 0.21 0.00 0.00 66.02 65.79 1xn6 s SER 19 CO 0.03 0.01 1.81 -0.29 0.41 0.00 0.00 173.24 175.21 1xn6 h ILE 20 N 1.86 0.82 -0.64 1.44 2.10 -1.85 0.43 117.51 121.66 1xn6 h ILE 20 Ca -0.46 -0.30 0.03 0.00 1.08 0.00 0.00 64.86 65.20 1xn6 h ILE 20 Cb 1.24 -0.13 -0.04 0.00 -1.09 0.00 0.00 36.82 36.79 1xn6 h ILE 20 CO 0.60 0.16 0.40 1.56 -1.08 0.00 0.00 178.15 179.79 1xn6 h GLN 21 N 0.88 0.77 0.12 2.19 1.08 -1.94 1.01 115.11 119.21 1xn6 h GLN 21 Ca 0.53 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 1xn6 h GLN 21 Cb 0.69 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1xn6 h GLN 21 CO -0.31 0.51 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.80 1xn6 h LYS 22 N 0.79 -0.16 -0.73 1.46 3.11 -1.21 0.14 116.57 119.97 1xn6 h LYS 22 Ca 0.26 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.20 1xn6 h LYS 22 Cb 0.01 0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.23 1xn6 h LYS 22 CO -0.10 0.26 0.48 0.28 -2.81 0.00 0.00 179.45 177.56 1xn6 h VAL 23 N -0.63 0.95 0.02 2.00 2.07 -0.05 0.11 116.25 120.72 1xn6 h VAL 23 Ca -0.02 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1xn6 h VAL 23 Cb 0.49 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xn6 h VAL 23 CO 0.03 0.12 -0.01 -0.25 0.02 0.00 0.00 177.57 177.48 1xn6 h TRP 24 N 0.65 -0.03 -0.83 1.57 2.91 0.12 -1.71 115.95 118.64 1xn6 h TRP 24 Ca 0.33 -0.00 0.18 0.00 1.13 0.00 0.00 58.89 60.53 1xn6 h TRP 24 Cb 0.44 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 29.04 1xn6 h TRP 24 CO -0.00 0.39 0.55 1.03 -1.03 0.00 0.00 178.44 179.38 1xn6 h SER 25 N -0.45 0.37 1.32 2.65 0.87 0.63 1.19 113.55 120.12 1xn6 h SER 25 Ca -0.00 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1xn6 h SER 25 Cb 0.43 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1xn6 h SER 25 CO 0.01 0.17 -0.19 0.58 -0.53 0.00 0.00 176.83 176.87 1xn6 h VAL 26 N 0.38 0.38 -1.16 2.23 2.07 -0.58 -3.15 116.25 116.42 1xn6 h VAL 26 Ca 0.42 -1.20 -0.57 0.00 0.82 0.00 0.00 66.70 66.17 1xn6 h VAL 26 Cb 1.05 1.91 -0.42 0.00 -1.52 0.00 0.00 31.29 32.31 1xn6 h VAL 26 CO -0.14 0.18 -0.78 1.33 0.02 0.00 0.00 177.57 178.19 1xn6 n VAL 27 N -3.23 2.42 -1.97 2.57 0.24 0.38 -3.24 118.33 115.50 1xn6 n VAL 27 Ca 0.02 -4.58 -0.05 0.00 -2.04 0.00 0.00 64.34 57.69 1xn6 n VAL 27 Cb 0.49 -1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.58 -0.77 -2.39 -1.34 3.41 0.47 -4.89 113.62 107.53 1xn6 n SER 28 Ca 0.41 -1.50 -0.12 0.00 -0.26 0.00 0.00 58.87 57.40 1xn6 n SER 28 Cb 0.80 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 1xn6 n SER 28 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn6 n THR 29 N -0.16 0.00 -0.07 6.66 -2.24 -1.24 -4.92 114.28 112.32 1xn6 n THR 29 Ca -0.19 -1.45 -0.08 0.00 -2.27 0.00 0.00 64.05 60.05 1xn6 n THR 29 Cb 0.60 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 1xn6 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xn6 n ALA 30 N -1.53 1.69 0.08 6.98 0.00 -1.26 -4.02 120.51 122.44 1xn6 n ALA 30 Ca -0.08 -0.70 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 1xn6 n ALA 30 Cb 0.38 0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 0.38 0.25 0.00 4.81 -1.96 -2.25 114.58 115.80 1xn6 h GLU 31 Ca -0.33 -0.64 -0.01 0.00 -0.13 0.00 0.00 59.36 58.25 1xn6 h GLU 31 Cb 1.61 0.24 0.00 0.00 0.63 0.00 0.00 28.75 31.24 1xn6 h GLU 31 CO -0.02 1.31 -0.12 0.78 -0.73 0.00 0.00 179.01 180.23 1xn6 h GLY 32 N -0.07 -0.36 0.99 1.92 0.00 -1.86 -2.08 103.07 101.61 1xn6 h GLY 32 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xn6 h GLY 32 CO 0.18 -0.13 0.21 -2.22 0.00 0.00 0.00 176.54 174.58 1xn6 h ILE 33 N -0.58 1.10 -0.02 2.60 2.04 -1.68 0.29 117.51 121.26 1xn6 h ILE 33 Ca -0.03 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1xn6 h ILE 33 Cb 0.42 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xn6 h ILE 33 CO 0.06 0.10 0.23 0.00 0.00 0.00 0.00 178.15 178.53 1xn6 h ALA 34 N 1.10 1.27 -0.12 1.87 0.00 -1.36 1.22 119.26 123.24 1xn6 h ALA 34 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xn6 h ALA 34 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xn6 h ALA 34 CO -0.02 -0.24 0.00 0.45 0.00 0.00 0.00 179.25 179.44 1xn6 n SER 35 N -3.01 0.74 -2.67 0.00 2.88 0.09 -3.76 113.62 107.88 1xn6 n SER 35 Ca -0.02 -1.87 -0.05 0.00 -1.33 0.00 0.00 58.87 55.61 1xn6 n SER 35 Cb 0.29 -0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.16 -0.97 0.00 0.66 4.27 0.41 -4.46 117.44 117.19 1xn6 n TRP 36 Ca 0.08 -1.05 0.00 0.00 -3.89 0.00 0.00 57.50 52.63 1xn6 n TRP 36 Cb 0.13 1.29 0.00 0.00 -1.36 0.00 0.00 31.31 31.38 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 -0.13 -0.21 0.00 -2.67 -0.00 -0.37 -4.86 117.46 109.21 1xn6 n PHE 37 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 1xn6 n PHE 37 Cb 0.72 0.04 0.00 0.00 -0.00 0.00 0.00 39.48 40.24 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1xn6 n MET 38 N -1.58 0.00 -2.40 -4.13 2.81 -1.25 -5.01 117.12 105.57 1xn6 n MET 38 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1xn6 n MET 38 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xn6 n MET 38 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1xn6 s PRO 39 N -2.00 4.12 0.34 0.03 0.04 -1.26 -3.90 135.00 132.36 1xn6 s PRO 39 Ca 0.00 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 1xn6 s PRO 39 Cb 0.00 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.76 1xn6 s PRO 39 CO 0.00 -0.86 0.72 0.54 0.04 0.00 0.00 177.00 177.44 1xn6 s ASN 40 N 2.34 -0.01 -0.79 6.66 2.20 -1.26 -1.47 114.94 122.62 1xn6 s ASN 40 Ca 0.56 -0.99 0.02 0.00 -0.94 0.00 0.00 52.86 51.51 1xn6 s ASN 40 Cb -0.21 0.78 0.32 0.00 -2.00 0.00 0.00 41.25 40.14 1xn6 s ASN 40 CO 0.18 -1.51 1.28 -0.67 -2.94 0.00 0.00 177.10 173.44 1xn6 n ASP 41 N -1.04 5.58 -3.73 3.54 -0.08 -1.23 -4.84 116.55 114.76 1xn6 n ASP 41 Ca -0.06 -3.64 -0.34 0.00 -1.51 0.00 0.00 54.79 49.24 1xn6 n ASP 41 Cb 0.60 -0.85 0.01 0.00 2.34 0.00 0.00 41.12 43.23 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1xn6 n PHE 42 N 0.08 -2.92 -3.69 -0.67 7.35 -1.26 -4.78 117.46 111.57 1xn6 n PHE 42 Ca 0.36 0.33 -0.13 0.00 -0.76 0.00 0.00 57.45 57.25 1xn6 n PHE 42 Cb 0.34 -1.46 -0.13 0.00 0.35 0.00 0.00 39.48 38.59 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 -1.77 -0.27 -1.19 -2.13 0.11 -1.26 -4.80 120.40 109.09 1xn6 s VAL 43 Ca 0.48 0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 59.62 1xn6 s VAL 43 Cb -0.39 -0.43 0.17 0.00 -1.53 0.00 0.00 36.38 34.20 1xn6 s VAL 43 CO 0.61 0.09 1.40 -0.22 -3.33 0.00 0.00 175.10 173.65 1xn6 s LEU 44 N 1.98 5.12 -0.20 2.54 2.96 -1.26 -4.86 118.68 124.95 1xn6 s LEU 44 Ca -0.03 -2.97 -0.12 0.00 -0.22 0.00 0.00 54.13 50.79 1xn6 s LEU 44 Cb -0.11 -2.39 0.06 0.00 0.50 0.00 0.00 46.19 44.25 1xn6 s LEU 44 CO -0.09 -0.74 0.50 -1.61 -1.32 0.00 0.00 176.35 173.09 1xn6 s GLU 45 N 1.49 0.51 0.12 1.98 2.02 -1.26 -5.10 118.70 118.46 1xn6 s GLU 45 Ca 0.41 0.89 -0.31 0.00 0.02 0.00 0.00 54.97 55.99 1xn6 s GLU 45 Cb -0.03 0.07 -0.08 0.00 0.10 0.00 0.00 34.13 34.19 1xn6 s GLU 45 CO -0.01 -0.14 1.40 0.08 0.02 0.00 0.00 175.26 176.61 1xn6 s VAL 46 N 1.28 3.23 0.00 2.63 1.01 -1.26 -1.70 120.40 125.59 1xn6 s VAL 46 Ca -0.08 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1xn6 s VAL 46 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1xn6 s VAL 46 CO -0.12 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1xn6 n GLY 47 N 3.45 0.69 3.80 4.51 0.00 -1.17 -5.02 105.19 111.45 1xn6 n GLY 47 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1xn6 n GLY 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xn6 s HIS 48 N -2.66 3.21 0.26 1.61 5.04 -0.69 -4.94 115.29 117.11 1xn6 s HIS 48 Ca 0.00 0.06 0.01 0.00 -1.54 0.00 0.00 55.06 53.59 1xn6 s HIS 48 Cb 0.00 -1.59 -0.05 0.00 0.04 0.00 0.00 32.58 30.98 1xn6 s HIS 48 CO 0.00 0.52 0.10 -1.83 -2.34 0.00 0.00 174.74 171.20 1xn6 s GLU 49 N -2.67 1.41 -0.01 2.88 -1.05 -1.26 -0.44 118.70 117.55 1xn6 s GLU 49 Ca 0.30 -1.76 -0.07 0.00 -0.15 0.00 0.00 54.97 53.29 1xn6 s GLU 49 Cb -0.11 -0.21 0.01 0.00 -0.44 0.00 0.00 34.13 33.37 1xn6 s GLU 49 CO 0.23 -0.31 0.16 -0.59 0.95 0.00 0.00 175.26 175.69 1xn6 s PHE 50 N -3.78 -0.02 -0.00 4.83 -0.71 -0.46 -4.86 117.98 112.97 1xn6 s PHE 50 Ca 0.38 0.03 -0.20 0.00 -1.04 0.00 0.00 56.93 56.10 1xn6 s PHE 50 Cb 0.08 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 1xn6 s PHE 50 CO 0.14 -0.25 0.56 -1.58 -1.34 0.00 0.00 175.22 172.76 1xn6 s HIS 51 N -1.03 3.69 0.28 3.49 2.46 -1.26 -2.35 115.29 120.56 1xn6 s HIS 51 Ca -0.11 1.16 0.10 0.00 0.47 0.00 0.00 55.06 56.68 1xn6 s HIS 51 Cb -0.06 -2.56 -0.05 0.00 -0.13 0.00 0.00 32.58 29.78 1xn6 s HIS 51 CO 0.01 0.39 -0.14 0.54 -2.47 0.00 0.00 174.74 173.08 1xn6 s VAL 52 N -0.32 2.11 -0.57 0.89 0.11 -1.26 -3.52 120.40 117.84 1xn6 s VAL 52 Ca 0.30 -2.27 -0.01 0.00 -2.93 0.00 0.00 61.98 57.07 1xn6 s VAL 52 Cb -0.18 -2.34 0.15 0.00 -1.53 0.00 0.00 36.38 32.48 1xn6 s VAL 52 CO 0.16 -0.38 0.36 -1.10 -3.33 0.00 0.00 175.10 170.81 1xn6 s GLN 53 N -3.60 2.33 1.04 1.54 -1.52 -0.54 -4.20 119.66 114.70 1xn6 s GLN 53 Ca 0.29 -2.49 -0.14 0.00 -1.95 0.00 0.00 55.36 51.06 1xn6 s GLN 53 Cb -0.01 -3.59 0.21 0.00 -0.22 0.00 0.00 33.01 29.40 1xn6 s GLN 53 CO 0.13 -1.14 1.11 0.45 -0.25 0.00 0.00 175.29 175.59 1xn6 s SER 54 N 0.49 2.35 0.26 5.90 0.15 -1.26 -4.44 113.70 117.15 1xn6 s SER 54 Ca 0.16 0.96 0.25 0.00 0.70 0.00 0.00 55.95 58.02 1xn6 s SER 54 Cb -0.22 -1.48 0.90 0.00 -1.71 0.00 0.00 66.02 63.50 1xn6 s SER 54 CO -0.03 -3.28 1.75 1.55 1.20 0.00 0.00 173.24 174.44 1xn6 h PRO 55 N -2.00 0.00 -0.64 5.44 0.13 -1.98 -3.41 132.00 129.55 1xn6 h PRO 55 Ca -0.51 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1xn6 h PRO 55 Cb 1.32 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.27 1xn6 h PRO 55 CO 0.52 0.00 -0.28 0.12 -0.23 0.00 0.00 178.00 178.14 1xn6 s PHE 56 N -3.23 -1.13 0.00 1.56 2.19 -1.26 -5.12 117.98 111.00 1xn6 s PHE 56 Ca 0.07 0.26 0.00 0.00 0.33 0.00 0.00 56.93 57.59 1xn6 s PHE 56 Cb 0.11 0.20 0.00 0.00 -1.31 0.00 0.00 43.02 42.02 1xn6 s PHE 56 CO 0.51 -0.74 0.00 0.41 1.83 0.00 0.00 175.22 177.22 1xn6 n GLY 57 N 4.30 1.44 3.73 13.12 0.00 -1.26 -5.03 105.19 121.48 1xn6 n GLY 57 Ca 0.08 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.49 4.52 -0.30 1.61 0.04 -1.26 -4.14 135.00 131.97 1xn6 s PRO 58 Ca 0.00 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1xn6 s PRO 58 Cb 0.00 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.33 1xn6 s PRO 58 CO 0.00 -0.08 0.12 -1.12 0.04 0.00 0.00 177.00 175.96 1xn6 s SER 59 N 0.47 3.73 0.22 6.66 0.01 -1.26 -4.90 113.70 118.62 1xn6 s SER 59 Ca 0.54 -1.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 1xn6 s SER 59 Cb -0.29 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.28 1xn6 s SER 59 CO 0.32 -0.42 1.10 -2.16 0.41 0.00 0.00 173.24 172.49 1xn6 s PRO 60 N 1.85 4.62 0.04 12.44 0.04 -1.26 -4.39 135.00 148.33 1xn6 s PRO 60 Ca 0.10 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1xn6 s PRO 60 Cb -0.17 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1xn6 s PRO 60 CO -0.31 0.14 0.05 0.00 0.04 0.00 0.00 177.00 176.93 1xn6 s LYS 62 N -1.99 2.35 0.05 0.00 2.20 -0.29 -1.36 119.74 120.70 1xn6 s LYS 62 Ca 0.25 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 54.93 1xn6 s LYS 62 Cb -0.12 -1.91 -0.08 0.00 -1.51 0.00 0.00 37.83 34.21 1xn6 s LYS 62 CO 0.16 0.02 1.64 0.08 -0.36 0.00 0.00 175.35 176.90 1xn6 s VAL 63 N 0.74 3.13 -0.18 4.02 1.01 0.42 -0.12 120.40 129.43 1xn6 s VAL 63 Ca -0.11 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 1xn6 s VAL 63 Cb -0.16 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1xn6 s VAL 63 CO 0.02 -0.01 -0.10 0.18 0.00 0.00 0.00 175.10 175.19 1xn6 n LEU 64 N 5.77 1.85 -4.08 3.92 4.77 0.30 -3.05 117.00 126.49 1xn6 n LEU 64 Ca 0.16 0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 56.49 1xn6 n LEU 64 Cb 0.41 -0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 40.50 1xn6 n LEU 64 CO 0.62 -0.14 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.42 1xn6 s GLU 65 N -2.39 0.64 -0.09 3.23 2.56 -1.10 -4.68 118.70 116.89 1xn6 s GLU 65 Ca -0.23 -0.70 0.02 0.00 0.00 0.00 0.00 54.97 54.06 1xn6 s GLU 65 Cb 0.05 -0.53 0.01 0.00 2.00 0.00 0.00 34.13 35.66 1xn6 s GLU 65 CO 0.38 0.12 -0.14 0.42 -0.56 0.00 0.00 175.26 175.48 1xn6 s ILE 66 N -1.06 1.33 -0.50 -3.70 1.01 -1.26 -1.36 121.20 115.65 1xn6 s ILE 66 Ca -0.04 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.10 1xn6 s ILE 66 Cb -0.08 -1.21 0.20 0.00 0.01 0.00 0.00 42.46 41.38 1xn6 s ILE 66 CO 0.01 0.40 0.79 0.47 0.00 0.00 0.00 174.94 176.61 1xn6 n ASP 67 N 3.98 -3.21 -0.24 3.58 8.00 -0.27 -4.99 116.55 123.41 1xn6 n ASP 67 Ca -0.21 -2.86 -0.01 0.00 0.71 0.00 0.00 54.79 52.43 1xn6 n ASP 67 Cb 0.52 1.70 0.06 0.00 -0.02 0.00 0.00 41.12 43.37 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 4.73 -0.05 -2.69 -1.24 4.81 -1.98 1.26 114.58 119.43 1xn6 h GLU 68 Ca 0.01 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.94 1xn6 h GLU 68 Cb 1.10 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1xn6 h GLU 68 CO 0.06 -0.03 1.31 -0.35 -0.73 0.00 0.00 179.01 179.27 1xn6 n PRO 69 N -5.47 2.08 0.00 0.92 -0.04 -1.26 -3.97 135.00 127.26 1xn6 n PRO 69 Ca 0.08 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1xn6 n PRO 69 Cb 0.36 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 -0.51 -5.14 115.26 120.41 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 -4.06 1.20 1.44 0.42 -2.14 115.22 112.09 1xn6 n HIS 71 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 1xn6 n HIS 71 Cb 0.00 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.05 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 0.57 0.05 2.39 2.34 -1.25 -1.12 118.68 121.66 1xn6 s LEU 72 Ca 0.00 -1.08 -0.04 0.00 0.06 0.00 0.00 54.13 53.07 1xn6 s LEU 72 Cb 0.00 1.39 -0.02 0.00 -0.56 0.00 0.00 46.19 47.00 1xn6 s LEU 72 CO 0.00 -1.07 0.06 -0.94 -1.06 0.00 0.00 176.35 173.34 1xn6 s SER 73 N -3.07 0.28 0.02 1.48 1.04 -0.47 -3.52 113.70 109.46 1xn6 s SER 73 Ca 0.27 -0.71 -0.24 0.00 0.48 0.00 0.00 55.95 55.75 1xn6 s SER 73 Cb 0.01 0.23 0.06 0.00 0.10 0.00 0.00 66.02 66.42 1xn6 s SER 73 CO 0.11 -0.57 0.55 0.72 0.98 0.00 0.00 173.24 175.03 1xn6 s PHE 74 N -3.20 -0.48 0.30 5.02 -0.71 -1.11 -0.54 117.98 117.25 1xn6 s PHE 74 Ca 0.00 0.64 0.07 0.00 -1.04 0.00 0.00 56.93 56.60 1xn6 s PHE 74 Cb 0.02 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 1xn6 s PHE 74 CO -0.07 -0.62 0.28 -1.54 -1.34 0.00 0.00 175.22 171.93 1xn6 s SER 75 N -1.72 5.51 -0.24 1.98 1.04 0.83 -2.51 113.70 118.60 1xn6 s SER 75 Ca -0.07 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1xn6 s SER 75 Cb -0.01 -1.22 0.04 0.00 0.10 0.00 0.00 66.02 64.93 1xn6 s SER 75 CO 0.02 -0.23 -0.11 0.86 0.98 0.00 0.00 173.24 174.77 1xn6 s TRP 76 N -2.21 3.08 1.07 5.02 -0.11 0.87 -1.14 118.94 125.54 1xn6 s TRP 76 Ca 0.38 -1.87 -0.16 0.00 1.22 0.00 0.00 56.10 55.67 1xn6 s TRP 76 Cb -0.07 -1.98 0.23 0.00 -1.50 0.00 0.00 33.47 30.14 1xn6 s TRP 76 CO 0.27 -0.81 1.15 -0.51 -4.62 0.00 0.00 176.95 172.43 1xn6 s ASP 77 N 1.23 2.07 -0.50 5.86 1.01 0.59 -0.50 116.67 126.43 1xn6 s ASP 77 Ca -0.02 0.69 -0.05 0.00 0.71 0.00 0.00 52.55 53.88 1xn6 s ASP 77 Cb -0.17 -1.02 0.05 0.00 1.01 0.00 0.00 42.92 42.79 1xn6 s ASP 77 CO -0.06 -3.42 0.14 1.07 0.21 0.00 0.00 175.17 173.10 1xn6 n THR 78 N -4.30 -0.10 0.00 -1.27 5.66 -1.26 -4.27 114.28 108.74 1xn6 n THR 78 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1xn6 n THR 78 Cb 0.59 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1xn6 n ASP 79 N -1.74 0.00 0.00 1.09 8.00 -1.23 -4.81 116.55 117.85 1xn6 n ASP 79 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1xn6 n ASP 79 Cb 0.50 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 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 -1.06 1.98 3.69 0.44 0.00 0.35 -4.20 105.19 106.40 1xn6 n GLY 80 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 3.07 -0.09 1.61 0.51 -1.22 -4.71 118.94 116.11 1xn6 s TRP 81 Ca 0.00 0.06 0.03 0.00 -2.12 0.00 0.00 56.10 54.07 1xn6 s TRP 81 Cb 0.00 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 31.03 1xn6 s TRP 81 CO 0.00 0.47 -0.20 0.08 -0.51 0.00 0.00 176.95 176.79 1xn6 s VAL 82 N -1.16 1.76 -0.02 4.03 1.01 -0.34 -0.09 120.40 125.59 1xn6 s VAL 82 Ca 0.22 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1xn6 s VAL 82 Cb -0.12 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 1xn6 s VAL 82 CO 0.13 0.49 -0.12 -0.69 0.00 0.00 0.00 175.10 174.91 1xn6 s VAL 83 N 0.46 0.99 -0.08 2.92 1.01 -1.04 -1.01 120.40 123.65 1xn6 s VAL 83 Ca -0.17 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1xn6 s VAL 83 Cb -0.17 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1xn6 s VAL 83 CO 0.07 0.29 0.25 -0.55 0.00 0.00 0.00 175.10 175.17 1xn6 s SER 84 N -0.07 -0.23 -0.27 3.32 0.15 0.17 -2.76 113.70 114.00 1xn6 s SER 84 Ca 0.01 0.40 -0.02 0.00 0.70 0.00 0.00 55.95 57.03 1xn6 s SER 84 Cb -0.07 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1xn6 s SER 84 CO 0.00 -0.16 -0.03 -0.36 1.20 0.00 0.00 173.24 173.89 1xn6 s PHE 85 N -0.20 3.14 0.39 3.44 0.08 -1.23 -0.71 117.98 122.90 1xn6 s PHE 85 Ca -0.03 -1.63 -0.15 0.00 0.12 0.00 0.00 56.93 55.24 1xn6 s PHE 85 Cb -0.03 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.25 1xn6 s PHE 85 CO 0.01 -0.75 0.82 -0.51 -0.10 0.00 0.00 175.22 174.70 1xn6 s ASP 86 N 1.31 6.72 0.01 1.36 1.11 0.22 -3.93 116.67 123.47 1xn6 s ASP 86 Ca -0.02 1.37 0.05 0.00 0.18 0.00 0.00 52.55 54.13 1xn6 s ASP 86 Cb -0.18 -2.41 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 1xn6 s ASP 86 CO -0.03 -0.34 -0.14 -0.76 1.18 0.00 0.00 175.17 175.08 1xn6 s LEU 87 N -3.40 2.08 -0.05 1.23 1.02 -0.91 -2.56 118.68 116.10 1xn6 s LEU 87 Ca 0.56 -0.33 -0.00 0.00 0.02 0.00 0.00 54.13 54.37 1xn6 s LEU 87 Cb -0.10 -0.69 0.03 0.00 0.02 0.00 0.00 46.19 45.45 1xn6 s LEU 87 CO 0.22 0.12 -0.01 -0.75 0.02 0.00 0.00 176.35 175.95 1xn6 s LYS 88 N -0.65 0.60 -0.64 1.70 2.20 -0.57 -4.83 119.74 117.57 1xn6 s LYS 88 Ca 0.04 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 1xn6 s LYS 88 Cb -0.06 -0.80 0.03 0.00 -1.51 0.00 0.00 37.83 35.49 1xn6 s LYS 88 CO 0.00 -0.18 1.27 0.34 -0.36 0.00 0.00 175.35 176.42 1xn6 s ASP 89 N 1.36 6.28 -0.16 1.43 2.15 -1.26 -1.10 116.67 125.37 1xn6 s ASP 89 Ca -0.05 -0.07 -0.05 0.00 0.43 0.00 0.00 52.55 52.81 1xn6 s ASP 89 Cb -0.13 -2.55 -0.24 0.00 -0.30 0.00 0.00 42.92 39.70 1xn6 s ASP 89 CO -0.02 -1.66 0.21 0.18 -0.17 0.00 0.00 175.17 173.71 1xn6 n LEU 90 N 9.02 2.70 0.00 -1.34 4.77 -1.05 -4.97 117.00 126.13 1xn6 n LEU 90 Ca 0.07 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1xn6 n LEU 90 Cb 0.49 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1xn6 n LEU 90 CO 0.71 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.24 1xn6 n GLY 91 N 2.04 -1.67 3.28 -0.72 0.00 -0.10 -4.92 105.19 103.09 1xn6 n GLY 91 Ca -0.36 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.61 -2.54 1.61 9.92 -1.26 0.18 116.55 120.86 1xn6 n ASP 92 Ca 0.00 -0.33 -0.19 0.00 -0.53 0.00 0.00 54.79 53.74 1xn6 n ASP 92 Cb 0.00 -3.00 0.02 0.00 -0.64 0.00 0.00 41.12 37.50 1xn6 n ASP 92 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1xn6 n ASN 93 N -2.22 -5.50 -4.11 -2.24 4.13 -1.26 -4.90 115.26 99.15 1xn6 n ASN 93 Ca -0.02 -0.21 -0.18 0.00 1.68 0.00 0.00 54.58 55.85 1xn6 n ASN 93 Cb 0.54 -4.37 -0.13 0.00 -1.54 0.00 0.00 39.78 34.28 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 -5.43 0.80 -0.03 3.52 1.02 0.49 0.13 119.74 120.24 1xn6 s LYS 94 Ca 0.22 -0.70 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 1xn6 s LYS 94 Cb -0.09 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1xn6 s LYS 94 CO 0.27 0.19 0.16 0.99 -0.92 0.00 0.00 175.35 176.03 1xn6 s THR 95 N -0.87 0.04 -0.30 2.17 2.01 -0.72 -0.93 115.64 117.04 1xn6 s THR 95 Ca -0.01 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1xn6 s THR 95 Cb -0.08 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1xn6 s THR 95 CO 0.01 -0.19 0.59 -0.70 -0.69 0.00 0.00 174.62 173.64 1xn6 s GLU 96 N -0.65 3.90 -0.20 4.92 2.12 -0.26 -2.25 118.70 126.28 1xn6 s GLU 96 Ca -0.07 0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.43 1xn6 s GLU 96 Cb -0.04 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1xn6 s GLU 96 CO 0.01 -0.54 0.06 0.12 -0.54 0.00 0.00 175.26 174.38 1xn6 s PHE 97 N 2.52 3.19 -0.23 5.30 5.36 0.21 -1.51 117.98 132.83 1xn6 s PHE 97 Ca 0.24 -0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 56.13 1xn6 s PHE 97 Cb -0.15 -2.12 0.07 0.00 -0.34 0.00 0.00 43.02 40.47 1xn6 s PHE 97 CO 0.11 0.01 0.01 0.99 -1.46 0.00 0.00 175.22 174.88 1xn6 s THR 98 N 0.72 0.97 -0.09 0.12 2.01 -1.06 -0.31 115.64 118.00 1xn6 s THR 98 Ca 0.03 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 1xn6 s THR 98 Cb -0.13 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1xn6 s THR 98 CO 0.02 -0.24 0.49 -0.22 -0.69 0.00 0.00 174.62 173.99 1xn6 s LEU 99 N 1.64 4.31 -0.09 4.42 2.96 -0.94 -0.61 118.68 130.38 1xn6 s LEU 99 Ca -0.01 0.89 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 1xn6 s LEU 99 Cb -0.18 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.80 1xn6 s LEU 99 CO -0.09 0.04 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.23 1xn6 s ILE 100 N 0.36 1.20 -0.24 6.68 1.09 0.12 -1.36 121.20 129.05 1xn6 s ILE 100 Ca 0.27 -0.48 -0.02 0.00 -1.10 0.00 0.00 60.65 59.33 1xn6 s ILE 100 Cb -0.16 -1.12 0.07 0.00 -1.06 0.00 0.00 42.46 40.20 1xn6 s ILE 100 CO 0.12 0.38 0.04 -2.28 -0.10 0.00 0.00 174.94 173.09 1xn6 s HIS 101 N 0.97 1.47 0.00 3.97 5.65 -0.93 -0.65 115.29 125.77 1xn6 s HIS 101 Ca -0.08 -1.29 0.00 0.00 0.25 0.00 0.00 55.06 53.94 1xn6 s HIS 101 Cb -0.15 -1.33 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 1xn6 s HIS 101 CO -0.00 -0.72 0.00 0.41 -0.65 0.00 0.00 174.74 173.78 1xn6 n GLY 102 N 4.92 4.76 0.00 1.59 0.00 -0.18 -2.09 105.19 114.19 1xn6 n GLY 102 Ca -0.07 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 4.43 0.83 3.98 -0.02 0.00 -1.26 -1.19 105.19 111.96 1xn6 n GLY 103 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xn6 n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 104 N -0.75 1.49 0.00 1.61 0.52 -1.26 -4.93 118.94 115.62 1xn6 s TRP 104 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.35 1xn6 s TRP 104 Cb 0.00 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 1xn6 s TRP 104 CO 0.00 -0.88 0.00 1.63 0.02 0.00 0.00 176.95 177.72 1xn6 n LYS 105 N -2.05 0.00 -3.91 4.98 5.02 -1.26 -4.94 118.16 116.00 1xn6 n LYS 105 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 1xn6 n LYS 105 Cb 0.63 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.58 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 -0.19 3.57 -0.14 2.13 3.76 -1.26 -0.40 115.29 122.76 1xn6 s HIS 106 Ca 0.00 0.46 0.27 0.00 -0.15 0.00 0.00 55.06 55.64 1xn6 s HIS 106 Cb 0.00 -1.90 0.82 0.00 1.11 0.00 0.00 32.58 32.61 1xn6 s HIS 106 CO 0.00 0.70 1.78 -1.00 -0.85 0.00 0.00 174.74 175.37 1xn6 h PRO 107 N 4.61 0.00 0.14 8.40 0.13 -1.98 -3.25 132.00 140.06 1xn6 h PRO 107 Ca -0.53 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1xn6 h PRO 107 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xn6 h PRO 107 CO 0.61 0.05 -0.07 0.22 -0.23 0.00 0.00 178.00 178.59 1xn6 h ASP 108 N 0.00 -0.16 -3.70 1.44 3.58 -2.00 -3.41 116.42 112.18 1xn6 h ASP 108 Ca -0.00 -0.37 -0.48 0.00 0.42 0.00 0.00 57.03 56.59 1xn6 h ASP 108 Cb 0.79 0.04 0.21 0.00 1.72 0.00 0.00 39.33 42.09 1xn6 h ASP 108 CO 0.01 0.43 0.02 -1.84 -2.88 0.00 0.00 179.24 174.98 1xn6 n GLU 109 N -4.88 -1.34 -4.38 0.28 0.28 -1.23 -4.95 120.64 104.41 1xn6 n GLU 109 Ca -0.07 -0.34 -0.20 0.00 -0.16 0.00 0.00 57.16 56.39 1xn6 n GLU 109 Cb 0.26 -2.23 -0.10 0.00 1.43 0.00 0.00 31.44 30.80 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 -2.51 1.58 0.36 3.84 -1.09 -1.26 -4.50 121.20 117.62 1xn6 s ILE 110 Ca 0.67 -2.14 -0.02 0.00 -2.23 0.00 0.00 60.65 56.92 1xn6 s ILE 110 Cb -0.23 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1xn6 s ILE 110 CO 0.62 -0.41 0.60 -0.76 -1.23 0.00 0.00 174.94 173.75 1xn6 s LEU 111 N -3.38 3.95 -0.08 2.97 1.02 -1.26 -4.96 118.68 116.94 1xn6 s LEU 111 Ca 0.27 0.62 -0.23 0.00 0.02 0.00 0.00 54.13 54.80 1xn6 s LEU 111 Cb 0.02 -3.49 -0.19 0.00 0.02 0.00 0.00 46.19 42.56 1xn6 s LEU 111 CO 0.09 -0.33 0.85 1.55 0.02 0.00 0.00 176.35 178.54 1xn6 h PRO 112 N 0.89 -0.09 0.00 1.29 0.13 -1.95 -2.84 132.00 129.42 1xn6 h PRO 112 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xn6 h PRO 112 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xn6 h PRO 112 CO 0.63 0.50 0.00 1.63 -0.23 0.00 0.00 178.00 180.52 1xn6 n LYS 113 N -4.80 0.00 -0.27 0.86 4.76 -1.26 -4.33 118.16 113.12 1xn6 n LYS 113 Ca -0.08 0.42 -0.08 0.00 -2.87 0.00 0.00 58.31 55.70 1xn6 n LYS 113 Cb 0.31 -0.94 -0.07 0.00 -1.84 0.00 0.00 35.03 32.48 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xn6 h ALA 114 N -2.00 -0.45 -1.44 7.82 0.00 -1.80 -3.47 119.26 117.92 1xn6 h ALA 114 Ca 0.00 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1xn6 h ALA 114 Cb 0.00 1.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1xn6 h ALA 114 CO 0.00 -0.73 -0.36 -1.71 0.00 0.00 0.00 179.25 176.45 1xn6 n ASN 115 N -4.64 -3.75 -0.86 0.00 5.15 -1.07 -4.98 115.26 105.11 1xn6 n ASN 115 Ca 0.01 0.41 0.05 0.00 -0.60 0.00 0.00 54.58 54.45 1xn6 n ASN 115 Cb 0.20 -2.00 -0.03 0.00 -0.53 0.00 0.00 39.78 37.43 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 n ALA 116 N -2.59 -1.78 -1.70 5.20 0.00 -1.26 -4.70 120.51 113.68 1xn6 n ALA 116 Ca -0.01 0.42 -0.54 0.00 0.00 0.00 0.00 53.44 53.30 1xn6 n ALA 116 Cb 0.29 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1xn6 n ALA 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xn6 n LYS 117 N -2.78 1.53 -0.20 0.00 5.02 -1.26 -4.48 118.16 115.99 1xn6 n LYS 117 Ca -0.03 0.56 -0.07 0.00 -2.02 0.00 0.00 58.31 56.75 1xn6 n LYS 117 Cb 0.34 -2.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.07 1xn6 n LYS 117 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1xn6 h SER 118 N 7.97 0.72 -0.98 4.39 0.02 -1.79 -2.12 113.55 121.77 1xn6 h SER 118 Ca -0.47 -0.10 0.33 0.00 -0.84 0.00 0.00 61.79 60.70 1xn6 h SER 118 Cb 1.30 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 63.50 1xn6 h SER 118 CO 0.96 0.62 0.43 0.77 -1.14 0.00 0.00 176.83 178.46 1xn6 h SER 119 N 0.77 0.23 0.03 3.07 4.64 -1.88 1.41 113.55 121.81 1xn6 h SER 119 Ca 0.20 0.23 -0.26 0.00 -0.47 0.00 0.00 61.79 61.49 1xn6 h SER 119 Cb 0.07 0.25 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1xn6 h SER 119 CO -0.03 -0.26 -1.00 0.40 -0.87 0.00 0.00 176.83 175.07 1xn6 h ILE 120 N 0.16 1.29 -0.19 0.95 2.04 -1.80 -2.19 117.51 117.78 1xn6 h ILE 120 Ca 0.72 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 64.37 1xn6 h ILE 120 Cb 1.69 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 40.07 1xn6 h ILE 120 CO -0.71 0.69 0.03 0.40 0.00 0.00 0.00 178.15 178.56 1xn6 h ILE 121 N 0.39 0.90 0.00 -0.67 1.08 0.21 0.39 117.51 119.82 1xn6 h ILE 121 Ca -0.11 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1xn6 h ILE 121 Cb 1.64 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1xn6 h ILE 121 CO 0.19 0.02 -0.18 0.08 -0.69 0.00 0.00 178.15 177.57 1xn6 h ARG 122 N 0.10 0.00 0.07 2.37 0.11 0.45 0.14 114.38 117.61 1xn6 h ARG 122 Ca 0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 1xn6 h ARG 122 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1xn6 h ARG 122 CO -0.12 0.18 -0.03 0.22 0.10 0.00 0.00 179.97 180.31 1xn6 h ASP 123 N 0.00 -0.08 -0.80 0.08 3.58 -0.41 0.69 116.42 119.48 1xn6 h ASP 123 Ca -0.00 -0.51 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 1xn6 h ASP 123 Cb 0.46 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.49 1xn6 h ASP 123 CO 0.02 0.52 0.41 0.03 -2.88 0.00 0.00 179.24 177.34 1xn6 h ARG 124 N -0.74 1.14 0.01 0.28 3.08 -0.09 0.11 114.38 118.18 1xn6 h ARG 124 Ca -0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1xn6 h ARG 124 Cb 0.59 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xn6 h ARG 124 CO 0.02 0.86 -0.00 0.52 -1.07 0.00 0.00 179.97 180.30 1xn6 h MET 125 N 1.14 -0.01 -0.07 0.04 2.86 -1.01 -2.86 114.93 115.03 1xn6 h MET 125 Ca 0.28 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.96 1xn6 h MET 125 Cb 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 1xn6 h MET 125 CO -0.04 0.67 -0.19 1.03 1.06 0.00 0.00 176.91 179.44 1xn6 h SER 126 N -0.71 -0.58 -0.23 1.22 0.87 0.51 0.98 113.55 115.61 1xn6 h SER 126 Ca -0.00 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1xn6 h SER 126 Cb 0.69 0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 1xn6 h SER 126 CO 0.00 -0.25 -0.38 1.23 -0.53 0.00 0.00 176.83 176.90 1xn6 h GLY 127 N -0.28 -0.54 1.38 5.77 0.00 -0.87 0.69 103.07 109.23 1xn6 h GLY 127 Ca 0.08 0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.83 1xn6 h GLY 127 CO -0.23 -0.21 0.07 -1.33 0.00 0.00 0.00 176.54 174.84 1xn6 h GLY 128 N -0.40 0.83 1.01 4.60 0.00 -1.22 -1.46 103.07 106.44 1xn6 h GLY 128 Ca 0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1xn6 h GLY 128 CO -0.45 0.47 0.45 1.49 0.00 0.00 0.00 176.54 178.50 1xn6 h TRP 129 N 0.74 1.05 0.20 5.60 -0.00 0.25 1.51 115.95 125.30 1xn6 h TRP 129 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1xn6 h TRP 129 Cb 0.35 -0.34 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 1xn6 h TRP 129 CO 0.02 0.72 -0.09 0.28 -0.00 0.00 0.00 178.44 179.37 1xn6 h VAL 130 N 1.07 0.85 0.21 1.49 2.07 0.95 0.91 116.25 123.80 1xn6 h VAL 130 Ca 0.28 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1xn6 h VAL 130 Cb 0.00 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1xn6 h VAL 130 CO -0.05 0.04 -0.10 0.00 0.02 0.00 0.00 177.57 177.49 1xn6 h ALA 131 N 0.43 -0.28 -0.95 1.67 0.00 -0.88 0.66 119.26 119.92 1xn6 h ALA 131 Ca -0.03 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1xn6 h ALA 131 Cb 0.27 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1xn6 h ALA 131 CO 0.04 -0.59 0.58 0.82 0.00 0.00 0.00 179.25 180.10 1xn6 h ILE 132 N -0.42 0.93 0.00 0.00 2.04 0.22 1.41 117.51 121.69 1xn6 h ILE 132 Ca -0.03 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 1xn6 h ILE 132 Cb 0.32 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1xn6 h ILE 132 CO 0.05 0.17 -0.27 0.58 0.00 0.00 0.00 178.15 178.68 1xn6 h VAL 133 N 0.95 1.12 -0.85 1.67 2.07 0.13 -1.61 116.25 119.73 1xn6 h VAL 133 Ca 0.46 -0.94 -0.56 0.00 0.82 0.00 0.00 66.70 66.48 1xn6 h VAL 133 Cb 0.42 1.52 -0.43 0.00 -1.52 0.00 0.00 31.29 31.28 1xn6 h VAL 133 CO -0.25 0.26 -0.81 0.59 0.02 0.00 0.00 177.57 177.38 1xn6 n ASN 134 N -4.12 4.90 0.10 0.57 3.02 0.14 -3.31 115.26 116.57 1xn6 n ASN 134 Ca -0.02 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1xn6 n ASN 134 Cb 0.33 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.68 0.00 0.00 3.52 -0.58 0.44 -4.87 120.64 118.47 1xn6 n GLU 135 Ca 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1xn6 n GLU 135 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.80 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 -3.11 0.00 -0.28 3.49 5.02 -0.64 -3.87 118.16 118.77 1xn6 n LYS 136 Ca 0.00 0.00 0.24 0.00 -2.02 0.00 0.00 58.31 56.53 1xn6 n LYS 136 Cb 0.00 -0.33 0.45 0.00 -0.02 0.00 0.00 35.03 35.12 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 -2.21 0.20 0.28 -0.35 7.94 -1.12 0.22 117.00 121.95 1xn6 n LEU 137 Ca 0.00 1.45 -0.16 0.00 -1.11 0.00 0.00 56.01 56.19 1xn6 n LEU 137 Cb 0.00 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.20 1xn6 n LEU 137 CO 0.00 -1.58 0.69 0.50 -1.11 0.00 0.00 177.39 175.88 1xn6 h LYS 138 N 0.00 -0.65 -0.01 1.96 3.64 -1.76 0.29 116.57 120.04 1xn6 h LYS 138 Ca 0.68 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 60.06 1xn6 h LYS 138 Cb 1.73 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.69 1xn6 h LYS 138 CO -0.71 -0.42 -0.24 -0.22 -2.27 0.00 0.00 179.45 175.59 1xn6 h LYS 139 N -0.71 0.01 0.47 1.90 3.64 0.21 1.52 116.57 123.61 1xn6 h LYS 139 Ca -0.07 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1xn6 h LYS 139 Cb 0.53 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1xn6 h LYS 139 CO 0.11 0.26 -0.23 0.28 -2.27 0.00 0.00 179.45 177.60 1xn6 h VAL 140 N 0.01 0.50 -0.18 2.00 2.07 0.32 1.48 116.25 122.45 1xn6 h VAL 140 Ca 0.00 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.07 1xn6 h VAL 140 Cb 0.44 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xn6 h VAL 140 CO 0.03 0.05 -0.58 0.58 0.02 0.00 0.00 177.57 177.67 1xn6 h VAL 141 N -0.81 1.31 0.00 2.57 2.07 -0.20 -2.88 116.25 118.31 1xn6 h VAL 141 Ca -0.06 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 1xn6 h VAL 141 Cb 0.56 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1xn6 h VAL 141 CO 0.11 0.57 -0.05 -0.08 0.02 0.00 0.00 177.57 178.13 1xn6 h GLU 142 N 0.41 0.00 -0.00 1.57 4.81 0.22 -3.47 114.58 118.12 1xn6 h GLU 142 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xn6 h GLU 142 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1xn6 h GLU 142 CO 0.12 0.05 0.00 0.41 -0.73 0.00 0.00 179.01 178.86