#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 -1.80 -4.48 0.03 4.07 -1.26 -5.07 120.64 112.13 1xn6 n GLU 2 Ca 0.00 0.34 -0.23 0.00 -0.06 0.00 0.00 57.16 57.21 1xn6 n GLU 2 Cb 0.00 -3.55 -0.10 0.00 -0.06 0.00 0.00 31.44 27.73 1xn6 n GLU 2 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1xn6 s GLN 3 N -4.06 1.75 -0.18 5.31 -2.07 -1.26 -5.17 119.66 113.98 1xn6 s GLN 3 Ca 0.09 -2.01 -0.21 0.00 -1.82 0.00 0.00 55.36 51.41 1xn6 s GLN 3 Cb -0.01 -0.83 0.06 0.00 -1.09 0.00 0.00 33.01 31.14 1xn6 s GLN 3 CO 0.29 -0.28 0.58 -0.65 -1.32 0.00 0.00 175.29 173.92 1xn6 s GLN 4 N -3.84 0.73 0.69 9.60 -1.52 -1.26 -5.17 119.66 118.88 1xn6 s GLN 4 Ca 0.32 0.68 0.00 0.00 -1.95 0.00 0.00 55.36 54.41 1xn6 s GLN 4 Cb 0.07 0.35 0.11 0.00 -0.22 0.00 0.00 33.01 33.32 1xn6 s GLN 4 CO 0.15 -0.12 0.95 -0.80 -0.25 0.00 0.00 175.29 175.21 1xn6 s ASN 5 N 0.01 4.53 0.25 5.90 0.01 -1.26 -4.98 114.94 119.40 1xn6 s ASN 5 Ca -0.02 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.76 1xn6 s ASN 5 Cb -0.04 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.53 1xn6 s ASN 5 CO 0.02 -1.73 0.00 0.41 -1.51 0.00 0.00 177.10 174.30 1xn6 n THR 6 N -2.72 0.00 -2.80 1.60 -1.04 -1.26 -4.53 114.28 103.53 1xn6 n THR 6 Ca 0.14 0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.78 1xn6 n THR 6 Cb 0.61 -0.40 -0.03 0.00 -1.82 0.00 0.00 70.33 68.69 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 -5.36 4.05 0.92 -4.42 1.43 -0.50 -4.87 118.68 109.93 1xn6 s LEU 7 Ca 0.00 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.99 1xn6 s LEU 7 Cb 0.00 -3.32 0.15 0.00 0.03 0.00 0.00 46.19 43.05 1xn6 s LEU 7 CO 0.00 -0.66 1.11 0.20 0.23 0.00 0.00 176.35 177.23 1xn6 s ASN 8 N 1.46 3.32 -0.08 2.29 -0.87 -1.26 -4.86 114.94 114.94 1xn6 s ASN 8 Ca 0.39 1.17 -0.17 0.00 -1.57 0.00 0.00 52.86 52.68 1xn6 s ASN 8 Cb -0.14 -1.82 -0.05 0.00 -0.02 0.00 0.00 41.25 39.22 1xn6 s ASN 8 CO 0.10 -2.69 0.44 -1.81 -2.57 0.00 0.00 177.10 170.57 1xn6 s ASP 9 N -3.71 6.71 -0.99 -1.22 1.01 -1.26 -4.94 116.67 112.27 1xn6 s ASP 9 Ca 0.64 0.84 -0.26 0.00 0.71 0.00 0.00 52.55 54.48 1xn6 s ASP 9 Cb -0.17 -2.27 -0.17 0.00 1.01 0.00 0.00 42.92 41.33 1xn6 s ASP 9 CO 0.56 0.11 2.17 -0.63 0.21 0.00 0.00 175.17 177.59 1xn6 s ILE 10 N 0.06 3.12 0.04 0.77 1.01 -0.97 -4.80 121.20 120.44 1xn6 s ILE 10 Ca 0.24 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 1xn6 s ILE 10 Cb -0.15 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 1xn6 s ILE 10 CO 0.11 -0.23 0.57 -0.75 0.00 0.00 0.00 174.94 174.63 1xn6 s LYS 11 N 8.24 4.23 -0.36 2.79 2.20 -1.23 -2.61 119.74 132.99 1xn6 s LYS 11 Ca 0.82 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1xn6 s LYS 11 Cb -0.07 -3.27 0.14 0.00 -1.51 0.00 0.00 37.83 33.11 1xn6 s LYS 11 CO 0.13 0.55 0.21 -0.65 -0.36 0.00 0.00 175.35 175.22 1xn6 s GLN 12 N -0.79 0.69 -0.26 4.03 -0.21 -0.24 -4.92 119.66 117.96 1xn6 s GLN 12 Ca 0.29 -1.41 -0.25 0.00 0.02 0.00 0.00 55.36 54.02 1xn6 s GLN 12 Cb -0.19 -1.53 -0.00 0.00 1.00 0.00 0.00 33.01 32.29 1xn6 s GLN 12 CO 0.18 -1.18 0.84 0.99 -2.12 0.00 0.00 175.29 174.00 1xn6 s THR 13 N 1.00 4.80 0.03 -0.19 2.01 -1.26 -2.30 115.64 119.74 1xn6 s THR 13 Ca 0.17 1.48 -0.10 0.00 0.31 0.00 0.00 61.69 63.55 1xn6 s THR 13 Cb -0.23 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.14 1xn6 s THR 13 CO -0.02 -0.15 0.21 -0.51 -0.69 0.00 0.00 174.62 173.45 1xn6 s ILE 14 N 2.93 0.10 -0.17 1.82 2.07 0.04 -5.01 121.20 122.98 1xn6 s ILE 14 Ca 0.35 -0.80 -0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1xn6 s ILE 14 Cb -0.15 -0.80 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 1xn6 s ILE 14 CO 0.09 -0.44 -0.03 -0.69 -1.91 0.00 0.00 174.94 171.96 1xn6 s VAL 15 N -2.24 3.80 -0.01 4.00 1.01 -1.26 0.06 120.40 125.77 1xn6 s VAL 15 Ca -0.08 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1xn6 s VAL 15 Cb -0.03 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1xn6 s VAL 15 CO -0.02 0.47 -0.04 -0.36 0.00 0.00 0.00 175.10 175.15 1xn6 s PHE 16 N 0.64 2.97 -1.51 5.22 0.08 -0.56 -4.97 117.98 119.84 1xn6 s PHE 16 Ca -0.02 0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 1xn6 s PHE 16 Cb -0.14 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1xn6 s PHE 16 CO 0.02 0.40 2.71 -1.71 -0.10 0.00 0.00 175.22 176.55 1xn6 n ASN 17 N 1.58 7.24 -1.35 1.36 2.85 -1.26 -1.98 115.26 123.70 1xn6 n ASN 17 Ca -0.15 -2.61 -0.02 0.00 -0.11 0.00 0.00 54.58 51.69 1xn6 n ASN 17 Cb 0.53 -1.53 -0.00 0.00 1.24 0.00 0.00 39.78 40.02 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 4.27 -0.14 -2.64 5.20 0.00 0.10 -4.84 120.51 122.46 1xn6 n ALA 18 Ca 0.69 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.58 1xn6 n ALA 18 Cb 0.26 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.39 4.70 0.20 0.00 0.01 -1.26 -0.51 113.70 115.46 1xn6 s SER 19 Ca 0.05 -0.38 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1xn6 s SER 19 Cb -0.00 -0.99 0.24 0.00 0.21 0.00 0.00 66.02 65.48 1xn6 s SER 19 CO 0.03 0.12 1.66 -0.29 0.41 0.00 0.00 173.24 175.17 1xn6 h ILE 20 N 2.68 0.49 -0.60 1.44 2.10 -1.88 1.01 117.51 122.74 1xn6 h ILE 20 Ca -0.47 -0.02 0.10 0.00 1.08 0.00 0.00 64.86 65.55 1xn6 h ILE 20 Cb 1.19 0.41 -0.04 0.00 -1.09 0.00 0.00 36.82 37.30 1xn6 h ILE 20 CO 0.57 0.01 0.40 1.56 -1.08 0.00 0.00 178.15 179.61 1xn6 h GLN 21 N 0.07 0.38 0.11 2.19 1.08 -1.95 1.05 115.11 118.03 1xn6 h GLN 21 Ca 0.29 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1xn6 h GLN 21 Cb 0.46 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1xn6 h GLN 21 CO -0.53 0.25 -0.05 -0.22 -0.95 0.00 0.00 178.83 177.33 1xn6 h LYS 22 N 0.39 -0.14 -0.89 1.46 3.64 -0.17 -2.50 116.57 118.36 1xn6 h LYS 22 Ca 0.28 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 1xn6 h LYS 22 Cb 0.57 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1xn6 h LYS 22 CO -0.08 0.13 0.58 0.28 -2.27 0.00 0.00 179.45 178.09 1xn6 h VAL 23 N -1.00 0.79 -0.17 2.00 2.07 0.11 0.17 116.25 120.22 1xn6 h VAL 23 Ca -0.01 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xn6 h VAL 23 Cb 0.33 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1xn6 h VAL 23 CO 0.02 0.11 0.09 -0.25 0.02 0.00 0.00 177.57 177.57 1xn6 h TRP 24 N 0.62 0.23 -0.56 1.57 2.91 0.11 -1.25 115.95 119.58 1xn6 h TRP 24 Ca 0.46 -0.01 0.15 0.00 1.13 0.00 0.00 58.89 60.62 1xn6 h TRP 24 Cb 0.83 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1xn6 h TRP 24 CO -0.00 0.23 0.40 1.03 -1.03 0.00 0.00 178.44 179.07 1xn6 h SER 25 N 0.16 0.09 0.83 2.65 0.87 -0.22 1.39 113.55 119.32 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 0.08 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1xn6 h SER 25 CO -0.01 0.05 0.00 0.52 -0.53 0.00 0.00 176.83 176.86 1xn6 n VAL 26 N -4.40 0.58 -2.61 2.23 0.31 -0.50 -3.07 118.33 110.86 1xn6 n VAL 26 Ca 0.10 0.09 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 1xn6 n VAL 26 Cb 0.57 -0.80 0.03 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.71 1.46 -1.90 2.52 0.24 0.46 -4.06 118.33 115.34 1xn6 n VAL 27 Ca 0.05 -3.46 -0.05 0.00 -2.04 0.00 0.00 64.34 58.84 1xn6 n VAL 27 Cb 0.27 0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.34 -0.74 -3.73 -1.34 3.41 -0.43 -4.93 113.62 105.51 1xn6 n SER 28 Ca 0.17 -1.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.08 1xn6 n SER 28 Cb 0.80 0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.00 0.00 -0.22 6.66 -4.23 -1.25 -4.94 115.64 111.67 1xn6 s THR 29 Ca 0.00 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.60 1xn6 s THR 29 Cb 0.00 -2.48 -0.18 0.00 1.34 0.00 0.00 72.50 71.18 1xn6 s THR 29 CO 0.00 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.09 1xn6 n ALA 30 N -0.44 1.01 -0.01 3.99 0.00 -1.26 -3.62 120.51 120.17 1xn6 n ALA 30 Ca 0.02 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.56 1xn6 n ALA 30 Cb 0.63 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 1xn6 n ALA 30 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xn6 h GLU 31 N -0.70 0.04 -0.15 0.00 3.07 -1.96 0.16 114.58 115.04 1xn6 h GLU 31 Ca -0.50 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.39 1xn6 h GLU 31 Cb 1.60 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.45 1xn6 h GLU 31 CO -0.21 0.46 -0.22 0.78 -1.40 0.00 0.00 179.01 178.41 1xn6 h GLY 32 N -0.38 -0.20 0.88 -3.84 0.00 -1.88 0.39 103.07 98.04 1xn6 h GLY 32 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1xn6 h GLY 32 CO 0.00 -0.19 0.07 -2.22 0.00 0.00 0.00 176.54 174.20 1xn6 h ILE 33 N -0.28 1.17 -0.01 2.60 2.04 -1.62 -1.17 117.51 120.25 1xn6 h ILE 33 Ca 0.11 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1xn6 h ILE 33 Cb 0.43 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1xn6 h ILE 33 CO -0.31 0.17 0.14 0.00 0.00 0.00 0.00 178.15 178.15 1xn6 h ALA 34 N 0.91 1.19 0.00 1.87 0.00 -0.04 0.88 119.26 124.07 1xn6 h ALA 34 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xn6 h ALA 34 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xn6 h ALA 34 CO -0.00 -0.15 0.00 0.45 0.00 0.00 0.00 179.25 179.55 1xn6 n SER 35 N -3.07 0.00 -2.68 0.00 2.88 0.13 -3.93 113.62 106.95 1xn6 n SER 35 Ca -0.02 -0.61 -0.05 0.00 -1.33 0.00 0.00 58.87 56.85 1xn6 n SER 35 Cb 0.21 -0.09 0.10 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.09 -1.18 0.01 0.66 4.27 0.29 -4.68 117.44 115.73 1xn6 n TRP 36 Ca 0.18 -1.09 0.00 0.00 -3.89 0.00 0.00 57.50 52.70 1xn6 n TRP 36 Cb 0.13 1.28 0.00 0.00 -1.36 0.00 0.00 31.31 31.36 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 0.78 -1.24 0.00 -2.67 7.35 -0.35 -4.85 117.46 116.48 1xn6 n PHE 37 Ca -0.01 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1xn6 n PHE 37 Cb 0.73 0.34 0.00 0.00 0.35 0.00 0.00 39.48 40.90 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1xn6 n MET 38 N -2.20 0.00 -2.42 -4.13 2.81 -1.25 -5.01 117.12 104.92 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 4.26 0.10 0.03 0.04 -1.26 -3.90 135.00 132.27 1xn6 s PRO 39 Ca 0.00 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1xn6 s PRO 39 Cb 0.00 -3.72 0.08 0.00 0.04 0.00 0.00 34.50 30.90 1xn6 s PRO 39 CO 0.00 -0.65 1.04 0.54 0.04 0.00 0.00 177.00 177.97 1xn6 s ASN 40 N 1.89 -0.15 -0.86 6.66 4.22 -1.26 -0.72 114.94 124.71 1xn6 s ASN 40 Ca 0.55 -0.32 0.01 0.00 -2.14 0.00 0.00 52.86 50.97 1xn6 s ASN 40 Cb -0.23 0.40 0.29 0.00 1.28 0.00 0.00 41.25 42.99 1xn6 s ASN 40 CO 0.17 -0.73 1.17 0.47 -2.04 0.00 0.00 177.10 176.14 1xn6 n ASP 41 N -0.46 5.29 -4.44 3.54 8.00 -1.26 -4.78 116.55 122.43 1xn6 n ASP 41 Ca -0.07 -3.47 -0.40 0.00 0.71 0.00 0.00 54.79 51.56 1xn6 n ASP 41 Cb 0.61 -0.96 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xn6 n PHE 42 N 0.89 -0.79 -4.34 1.24 7.35 -1.26 -4.89 117.46 115.66 1xn6 n PHE 42 Ca 0.30 0.51 -0.19 0.00 -0.76 0.00 0.00 57.45 57.31 1xn6 n PHE 42 Cb 0.36 -1.95 -0.14 0.00 0.35 0.00 0.00 39.48 38.10 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 -1.64 0.83 -0.94 -2.13 0.11 -1.26 -4.65 120.40 110.72 1xn6 s VAL 43 Ca 0.65 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 59.02 1xn6 s VAL 43 Cb -0.52 -0.74 0.26 0.00 -1.53 0.00 0.00 36.38 33.85 1xn6 s VAL 43 CO 0.57 0.08 1.01 -0.11 -3.33 0.00 0.00 175.10 173.32 1xn6 n LEU 44 N 2.40 4.91 -3.67 2.54 7.94 -1.26 -4.96 117.00 124.90 1xn6 n LEU 44 Ca -0.16 -5.19 -0.10 0.00 -1.11 0.00 0.00 56.01 49.45 1xn6 n LEU 44 Cb 0.56 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 43.28 1xn6 n LEU 44 CO 0.24 1.64 0.21 -1.61 -1.11 0.00 0.00 177.39 176.76 1xn6 s GLU 45 N -1.90 0.57 0.17 1.96 2.02 -1.26 -5.09 118.70 115.16 1xn6 s GLU 45 Ca 0.31 0.97 -0.31 0.00 0.02 0.00 0.00 54.97 55.95 1xn6 s GLU 45 Cb -0.01 0.11 -0.10 0.00 0.10 0.00 0.00 34.13 34.23 1xn6 s GLU 45 CO -0.04 -0.14 1.55 0.08 0.02 0.00 0.00 175.26 176.72 1xn6 s VAL 46 N 1.29 2.66 0.00 2.63 1.01 -1.26 -1.07 120.40 125.65 1xn6 s VAL 46 Ca -0.08 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1xn6 s VAL 46 Cb -0.06 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1xn6 s VAL 46 CO -0.13 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1xn6 n GLY 47 N 3.61 0.87 3.68 4.51 0.00 -1.25 -4.99 105.19 111.62 1xn6 n GLY 47 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.49 3.47 0.36 1.61 5.04 -0.24 -4.89 115.29 117.15 1xn6 s HIS 48 Ca 0.00 1.40 0.08 0.00 -1.54 0.00 0.00 55.06 55.00 1xn6 s HIS 48 Cb 0.00 -3.08 -0.03 0.00 0.04 0.00 0.00 32.58 29.51 1xn6 s HIS 48 CO 0.00 -0.22 0.29 -1.21 -2.34 0.00 0.00 174.74 171.25 1xn6 s GLU 49 N 2.05 2.60 0.17 2.88 2.02 -1.26 -2.59 118.70 124.57 1xn6 s GLU 49 Ca 0.43 -1.41 -0.17 0.00 0.02 0.00 0.00 54.97 53.83 1xn6 s GLU 49 Cb -0.17 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.73 1xn6 s GLU 49 CO 0.15 0.02 0.82 1.97 0.02 0.00 0.00 175.26 178.23 1xn6 n PHE 50 N -1.38 -1.32 -4.28 1.61 -1.74 -1.01 -4.98 117.46 104.36 1xn6 n PHE 50 Ca -0.01 -1.09 -0.16 0.00 -0.56 0.00 0.00 57.45 55.63 1xn6 n PHE 50 Cb 0.61 0.53 -0.10 0.00 1.52 0.00 0.00 39.48 42.04 1xn6 n PHE 50 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 1xn6 s HIS 51 N -2.91 1.41 0.04 2.97 -3.43 -1.26 -2.41 115.29 109.69 1xn6 s HIS 51 Ca 0.18 -0.69 0.04 0.00 -0.80 0.00 0.00 55.06 53.78 1xn6 s HIS 51 Cb -0.03 -0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 30.41 1xn6 s HIS 51 CO 0.05 0.17 -0.11 0.14 -2.00 0.00 0.00 174.74 172.99 1xn6 s VAL 52 N -3.16 0.83 -0.19 -5.38 -7.23 -1.24 -3.99 120.40 100.04 1xn6 s VAL 52 Ca 0.18 -0.94 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 1xn6 s VAL 52 Cb 0.01 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 1xn6 s VAL 52 CO 0.03 -0.13 0.47 -1.10 -0.31 0.00 0.00 175.10 174.06 1xn6 s GLN 53 N -1.19 4.21 0.05 4.82 -1.52 0.10 -3.28 119.66 122.85 1xn6 s GLN 53 Ca -0.02 0.34 0.05 0.00 -1.95 0.00 0.00 55.36 53.78 1xn6 s GLN 53 Cb -0.08 -3.53 -0.02 0.00 -0.22 0.00 0.00 33.01 29.15 1xn6 s GLN 53 CO 0.01 -0.06 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.72 1xn6 s SER 54 N 1.03 1.69 -0.66 5.90 0.01 -1.26 -4.07 113.70 116.35 1xn6 s SER 54 Ca 0.23 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 56.92 1xn6 s SER 54 Cb -0.15 -0.09 -0.13 0.00 0.21 0.00 0.00 66.02 65.86 1xn6 s SER 54 CO 0.09 0.01 2.64 -0.81 0.41 0.00 0.00 173.24 175.58 1xn6 n PRO 55 N 1.74 2.18 0.01 12.44 -0.04 -1.26 -3.51 135.00 146.56 1xn6 n PRO 55 Ca -0.19 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.97 1xn6 n PRO 55 Cb 0.54 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1xn6 n PRO 55 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn6 n PHE 56 N 3.33 -2.57 -3.64 0.54 -0.00 -1.26 -5.15 117.46 108.72 1xn6 n PHE 56 Ca 0.47 0.06 -0.16 0.00 -0.00 0.00 0.00 57.45 57.82 1xn6 n PHE 56 Cb 0.41 0.62 -0.07 0.00 -0.00 0.00 0.00 39.48 40.44 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1xn6 s GLY 57 N -2.00 -0.38 -0.07 7.13 0.00 -1.23 -5.14 107.32 105.64 1xn6 s GLY 57 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 44.72 45.30 1xn6 s GLY 57 CO 0.00 0.59 1.23 2.56 0.00 0.00 0.00 173.10 177.48 1xn6 s PRO 58 N -1.18 4.32 -0.35 2.90 0.04 -1.26 -4.05 135.00 135.42 1xn6 s PRO 58 Ca -0.12 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1xn6 s PRO 58 Cb -0.03 -3.60 0.10 0.00 0.04 0.00 0.00 34.50 31.02 1xn6 s PRO 58 CO 0.07 -0.51 0.09 -1.12 0.04 0.00 0.00 177.00 175.57 1xn6 s SER 59 N 1.62 4.45 0.94 6.66 0.01 -1.20 -4.87 113.70 121.30 1xn6 s SER 59 Ca 0.56 -2.08 -0.13 0.00 1.31 0.00 0.00 55.95 55.61 1xn6 s SER 59 Cb -0.25 -1.36 0.16 0.00 0.21 0.00 0.00 66.02 64.78 1xn6 s SER 59 CO 0.21 -0.37 1.15 -2.16 0.41 0.00 0.00 173.24 172.48 1xn6 s PRO 60 N 1.01 0.91 0.05 12.44 0.04 -1.26 -3.65 135.00 144.53 1xn6 s PRO 60 Ca 0.11 0.20 -0.03 0.00 0.04 0.00 0.00 61.00 61.33 1xn6 s PRO 60 Cb -0.19 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1xn6 s PRO 60 CO -0.12 -2.34 0.02 0.00 0.04 0.00 0.00 177.00 174.60 1xn6 s LYS 62 N -3.40 1.00 0.39 0.00 2.20 -1.07 -2.42 119.74 116.45 1xn6 s LYS 62 Ca 0.02 -0.11 -0.27 0.00 -0.36 0.00 0.00 55.97 55.26 1xn6 s LYS 62 Cb 0.04 -1.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.18 1xn6 s LYS 62 CO -0.08 -0.17 1.37 0.08 -0.36 0.00 0.00 175.35 176.19 1xn6 s VAL 63 N 1.35 2.41 -0.11 4.02 1.01 -1.07 0.09 120.40 128.10 1xn6 s VAL 63 Ca -0.04 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 1xn6 s VAL 63 Cb -0.14 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1xn6 s VAL 63 CO -0.03 0.07 -0.22 0.18 0.00 0.00 0.00 175.10 175.10 1xn6 n LEU 64 N 0.27 1.51 -3.96 3.92 4.77 0.21 -3.83 117.00 119.90 1xn6 n LEU 64 Ca 0.03 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 1xn6 n LEU 64 Cb 0.42 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1xn6 n LEU 64 CO 0.59 -0.20 -0.33 -0.70 -1.33 0.00 0.00 177.39 175.42 1xn6 s GLU 65 N -2.49 0.31 -0.10 3.23 2.56 -0.88 -4.76 118.70 116.57 1xn6 s GLU 65 Ca -0.20 -0.53 0.01 0.00 0.00 0.00 0.00 54.97 54.24 1xn6 s GLU 65 Cb 0.05 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.31 1xn6 s GLU 65 CO 0.28 -0.06 -0.10 0.42 -0.56 0.00 0.00 175.26 175.24 1xn6 s ILE 66 N -1.34 1.13 -0.50 -3.70 1.01 -1.26 -0.91 121.20 115.63 1xn6 s ILE 66 Ca -0.15 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1xn6 s ILE 66 Cb -0.09 -1.09 0.20 0.00 0.01 0.00 0.00 42.46 41.50 1xn6 s ILE 66 CO -0.01 0.37 0.71 0.47 0.00 0.00 0.00 174.94 176.49 1xn6 n ASP 67 N 4.45 -2.89 -0.24 3.58 9.92 0.09 -4.99 116.55 126.47 1xn6 n ASP 67 Ca -0.17 -2.93 -0.00 0.00 -0.53 0.00 0.00 54.79 51.16 1xn6 n ASP 67 Cb 0.51 1.43 0.07 0.00 -0.64 0.00 0.00 41.12 42.48 1xn6 n ASP 67 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xn6 h GLU 68 N 4.83 -0.03 -2.67 -1.24 4.81 -1.98 1.45 114.58 119.77 1xn6 h GLU 68 Ca 0.04 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.98 1xn6 h GLU 68 Cb 1.06 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1xn6 h GLU 68 CO 0.13 -0.02 1.22 -0.35 -0.73 0.00 0.00 179.01 179.27 1xn6 n PRO 69 N -5.47 2.04 0.00 0.92 -0.04 -1.26 -3.97 135.00 127.22 1xn6 n PRO 69 Ca 0.08 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1xn6 n PRO 69 Cb 0.36 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.17 0.00 0.00 3.54 4.05 -0.50 -5.14 115.26 120.38 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 0.47 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.48 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 -3.93 1.20 1.44 0.49 -2.23 115.22 112.19 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 0.66 0.04 2.39 2.34 -1.25 -0.73 118.68 122.13 1xn6 s LEU 72 Ca 0.00 -0.81 0.01 0.00 0.06 0.00 0.00 54.13 53.39 1xn6 s LEU 72 Cb 0.00 1.47 -0.03 0.00 -0.56 0.00 0.00 46.19 47.08 1xn6 s LEU 72 CO 0.00 -0.97 -0.05 -0.94 -1.06 0.00 0.00 176.35 173.33 1xn6 s SER 73 N -2.96 0.60 -0.13 1.48 1.04 -0.08 -3.49 113.70 110.15 1xn6 s SER 73 Ca 0.17 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.74 1xn6 s SER 73 Cb 0.02 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.28 1xn6 s SER 73 CO 0.01 -0.30 0.60 0.72 0.98 0.00 0.00 173.24 175.25 1xn6 s PHE 74 N -1.87 -0.60 0.56 5.02 -0.71 -1.09 -0.61 117.98 118.68 1xn6 s PHE 74 Ca -0.09 1.26 0.01 0.00 -1.04 0.00 0.00 56.93 57.07 1xn6 s PHE 74 Cb -0.07 0.28 0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1xn6 s PHE 74 CO -0.02 -0.45 0.78 -1.54 -1.34 0.00 0.00 175.22 172.66 1xn6 s SER 75 N -0.49 5.24 -0.15 1.98 1.04 0.11 -1.65 113.70 119.77 1xn6 s SER 75 Ca -0.06 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1xn6 s SER 75 Cb -0.03 -0.84 0.02 0.00 0.10 0.00 0.00 66.02 65.28 1xn6 s SER 75 CO 0.05 -1.17 -0.15 0.86 0.98 0.00 0.00 173.24 173.80 1xn6 s TRP 76 N -2.78 2.26 0.95 5.02 -0.11 0.48 -2.59 118.94 122.18 1xn6 s TRP 76 Ca 0.58 -1.28 -0.16 0.00 1.22 0.00 0.00 56.10 56.46 1xn6 s TRP 76 Cb -0.10 -1.64 0.22 0.00 -1.50 0.00 0.00 33.47 30.44 1xn6 s TRP 76 CO 0.39 -0.69 1.30 -0.25 -4.62 0.00 0.00 176.95 173.08 1xn6 n ASP 77 N 4.73 0.14 -2.87 5.86 8.00 0.74 -0.44 116.55 132.71 1xn6 n ASP 77 Ca -0.18 -1.50 -0.09 0.00 0.71 0.00 0.00 54.79 53.74 1xn6 n ASP 77 Cb 0.50 -0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xn6 n THR 78 N -3.77 0.00 0.19 -3.53 -1.04 -1.26 -4.04 114.28 100.82 1xn6 n THR 78 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1xn6 n THR 78 Cb 0.57 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1xn6 n THR 78 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1xn6 n ASP 79 N -1.66 -3.38 -0.04 8.00 8.00 -1.25 -4.88 116.55 121.32 1xn6 n ASP 79 Ca 0.02 0.78 0.00 0.00 0.71 0.00 0.00 54.79 56.31 1xn6 n ASP 79 Cb 0.48 3.24 0.00 0.00 -0.02 0.00 0.00 41.12 44.82 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 -1.44 1.34 3.69 0.44 0.00 0.42 -4.79 105.19 104.85 1xn6 n GLY 80 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.09 2.75 -0.01 1.61 0.51 -1.12 -4.67 118.94 115.93 1xn6 s TRP 81 Ca 0.00 -0.25 0.04 0.00 -2.12 0.00 0.00 56.10 53.77 1xn6 s TRP 81 Cb 0.00 -1.35 -0.01 0.00 -0.81 0.00 0.00 33.47 31.30 1xn6 s TRP 81 CO 0.00 0.53 -0.14 0.08 -0.51 0.00 0.00 176.95 176.91 1xn6 s VAL 82 N -2.33 1.10 -0.05 4.03 1.01 0.47 0.18 120.40 124.80 1xn6 s VAL 82 Ca 0.33 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1xn6 s VAL 82 Cb -0.05 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1xn6 s VAL 82 CO 0.21 0.28 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 1xn6 s VAL 83 N -0.37 0.51 -0.01 2.92 1.01 -0.66 -1.44 120.40 122.36 1xn6 s VAL 83 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xn6 s VAL 83 Cb -0.06 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1xn6 s VAL 83 CO -0.00 0.24 0.02 -0.55 0.00 0.00 0.00 175.10 174.81 1xn6 s SER 84 N 1.23 0.04 -0.26 3.32 0.15 0.39 -2.66 113.70 115.91 1xn6 s SER 84 Ca -0.06 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 1xn6 s SER 84 Cb -0.14 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1xn6 s SER 84 CO -0.02 -0.08 -0.05 -0.36 1.20 0.00 0.00 173.24 173.94 1xn6 s PHE 85 N 0.63 3.09 0.41 3.44 0.08 -1.23 -0.58 117.98 123.83 1xn6 s PHE 85 Ca -0.05 -1.55 -0.13 0.00 0.12 0.00 0.00 56.93 55.31 1xn6 s PHE 85 Cb -0.08 -2.07 -0.08 0.00 -0.57 0.00 0.00 43.02 40.22 1xn6 s PHE 85 CO -0.02 -0.73 0.82 -0.51 -0.10 0.00 0.00 175.22 174.69 1xn6 s ASP 86 N 1.33 6.62 -0.00 1.36 1.01 -0.03 -3.93 116.67 123.03 1xn6 s ASP 86 Ca -0.00 1.30 0.01 0.00 0.71 0.00 0.00 52.55 54.57 1xn6 s ASP 86 Cb -0.17 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 1xn6 s ASP 86 CO -0.04 -0.40 -0.05 -0.76 0.21 0.00 0.00 175.17 174.14 1xn6 s LEU 87 N -3.67 2.00 -0.06 1.23 1.02 -0.95 -2.33 118.68 115.92 1xn6 s LEU 87 Ca 0.54 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.60 1xn6 s LEU 87 Cb -0.10 -0.24 0.03 0.00 0.02 0.00 0.00 46.19 45.90 1xn6 s LEU 87 CO 0.27 0.06 0.00 -0.75 0.02 0.00 0.00 176.35 175.95 1xn6 s LYS 88 N -0.10 0.51 -0.42 1.70 2.20 -0.84 -4.78 119.74 118.02 1xn6 s LYS 88 Ca 0.02 0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 1xn6 s LYS 88 Cb -0.02 -0.84 -0.02 0.00 -1.51 0.00 0.00 37.83 35.44 1xn6 s LYS 88 CO -0.00 -0.26 1.80 0.34 -0.36 0.00 0.00 175.35 176.87 1xn6 s ASP 89 N 1.75 5.71 -0.19 1.43 -1.08 -1.26 -1.62 116.67 121.42 1xn6 s ASP 89 Ca 0.01 0.99 -0.15 0.00 -0.52 0.00 0.00 52.55 52.88 1xn6 s ASP 89 Cb -0.13 -2.53 -0.21 0.00 -1.46 0.00 0.00 42.92 38.60 1xn6 s ASP 89 CO -0.04 -1.91 0.20 0.18 0.52 0.00 0.00 175.17 174.12 1xn6 n LEU 90 N 11.01 2.16 0.00 -1.34 4.77 -1.08 -4.97 117.00 127.55 1xn6 n LEU 90 Ca 0.22 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1xn6 n LEU 90 Cb 0.49 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1xn6 n LEU 90 CO 0.69 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1xn6 n GLY 91 N 1.63 -1.17 3.31 -0.72 0.00 -0.12 -4.93 105.19 103.19 1xn6 n GLY 91 Ca -0.35 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.37 -2.69 1.61 8.00 -1.26 0.20 116.55 119.04 1xn6 n ASP 92 Ca 0.00 -0.34 -0.19 0.00 0.71 0.00 0.00 54.79 54.97 1xn6 n ASP 92 Cb 0.00 -2.81 0.04 0.00 -0.02 0.00 0.00 41.12 38.32 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 -2.20 -5.52 -4.11 -2.24 4.13 -1.26 -4.93 115.26 99.13 1xn6 n ASN 93 Ca -0.01 -0.28 -0.16 0.00 1.68 0.00 0.00 54.58 55.80 1xn6 n ASN 93 Cb 0.54 -4.31 -0.12 0.00 -1.54 0.00 0.00 39.78 34.35 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 -5.63 0.69 -0.05 3.52 1.02 0.53 0.03 119.74 119.85 1xn6 s LYS 94 Ca 0.30 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.37 1xn6 s LYS 94 Cb -0.13 -0.59 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 1xn6 s LYS 94 CO 0.37 0.13 0.25 0.99 -0.92 0.00 0.00 175.35 176.17 1xn6 s THR 95 N -1.21 0.04 -0.26 2.17 2.01 -0.84 -0.95 115.64 116.60 1xn6 s THR 95 Ca -0.05 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.45 1xn6 s THR 95 Cb -0.09 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1xn6 s THR 95 CO 0.01 -0.18 0.50 -0.70 -0.69 0.00 0.00 174.62 173.57 1xn6 s GLU 96 N -0.72 4.06 -0.14 4.92 2.12 -0.64 -1.50 118.70 126.81 1xn6 s GLU 96 Ca -0.08 0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.50 1xn6 s GLU 96 Cb -0.04 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 1xn6 s GLU 96 CO 0.02 -0.34 0.01 0.12 -0.54 0.00 0.00 175.26 174.53 1xn6 s PHE 97 N 2.28 3.15 -0.25 5.30 2.19 0.11 -1.98 117.98 128.78 1xn6 s PHE 97 Ca 0.21 0.00 -0.01 0.00 0.33 0.00 0.00 56.93 57.46 1xn6 s PHE 97 Cb -0.16 -1.93 0.08 0.00 -1.31 0.00 0.00 43.02 39.70 1xn6 s PHE 97 CO 0.09 0.22 0.05 0.99 1.83 0.00 0.00 175.22 178.39 1xn6 s THR 98 N -0.12 0.88 -0.34 0.12 2.01 -0.99 -0.78 115.64 116.43 1xn6 s THR 98 Ca 0.05 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 60.77 1xn6 s THR 98 Cb -0.13 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.92 1xn6 s THR 98 CO 0.02 -0.39 0.69 -0.22 -0.69 0.00 0.00 174.62 174.03 1xn6 s LEU 99 N 1.66 4.17 -0.17 4.42 0.20 -0.97 -0.85 118.68 127.14 1xn6 s LEU 99 Ca 0.03 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.20 1xn6 s LEU 99 Cb -0.17 -2.90 0.01 0.00 -0.43 0.00 0.00 46.19 42.70 1xn6 s LEU 99 CO -0.15 -0.60 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.51 1xn6 s ILE 100 N 2.81 2.34 -0.22 6.68 1.09 0.26 -1.07 121.20 133.08 1xn6 s ILE 100 Ca 0.27 -0.86 -0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1xn6 s ILE 100 Cb -0.14 -1.99 0.06 0.00 -1.06 0.00 0.00 42.46 39.33 1xn6 s ILE 100 CO 0.14 0.52 -0.02 -2.28 -0.10 0.00 0.00 174.94 173.20 1xn6 s HIS 101 N 1.16 1.94 0.00 3.97 5.65 -1.07 -0.46 115.29 126.47 1xn6 s HIS 101 Ca 0.01 -1.47 0.00 0.00 0.25 0.00 0.00 55.06 53.85 1xn6 s HIS 101 Cb -0.14 -1.41 0.00 0.00 -1.18 0.00 0.00 32.58 29.85 1xn6 s HIS 101 CO -0.08 -0.72 0.00 0.41 -0.65 0.00 0.00 174.74 173.70 1xn6 n GLY 102 N 4.80 6.59 0.00 1.59 0.00 -0.52 -2.29 105.19 115.36 1xn6 n GLY 102 Ca -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 2.78 2.71 0.00 -0.02 0.00 -1.26 -0.40 105.19 109.01 1xn6 n GLY 103 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.66 0.00 1.61 7.02 -1.26 -4.96 117.44 117.19 1xn6 n TRP 104 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xn6 n TRP 104 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 -1.59 0.00 -4.01 -0.99 4.01 -1.26 -4.97 118.16 109.35 1xn6 n LYS 105 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 1xn6 n LYS 105 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1xn6 s HIS 106 N -0.03 3.36 -1.78 2.13 2.46 -1.26 -1.41 115.29 118.76 1xn6 s HIS 106 Ca 0.00 0.21 0.23 0.00 0.47 0.00 0.00 55.06 55.98 1xn6 s HIS 106 Cb 0.00 -1.73 1.32 0.00 -0.13 0.00 0.00 32.58 32.04 1xn6 s HIS 106 CO 0.00 0.57 1.77 -0.35 -2.47 0.00 0.00 174.74 174.27 1xn6 n PRO 107 N 0.78 0.58 -0.13 2.88 -0.04 -1.26 -3.12 135.00 134.68 1xn6 n PRO 107 Ca -0.10 0.03 -0.27 0.00 -0.04 0.00 0.00 63.50 63.12 1xn6 n PRO 107 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1xn6 n PRO 107 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xn6 n ASP 108 N -1.11 1.96 -4.62 3.54 2.03 -1.26 -4.40 116.55 112.69 1xn6 n ASP 108 Ca 0.15 0.27 -0.36 0.00 0.52 0.00 0.00 54.79 55.37 1xn6 n ASP 108 Cb 0.12 -0.76 0.08 0.00 -0.72 0.00 0.00 41.12 39.84 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1xn6 n GLU 109 N -4.09 0.62 -4.28 -0.67 0.28 -1.18 -4.89 120.64 106.43 1xn6 n GLU 109 Ca -0.52 0.27 -0.23 0.00 -0.16 0.00 0.00 57.16 56.52 1xn6 n GLU 109 Cb 0.89 -2.23 -0.12 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.73 1.65 0.51 3.84 -1.09 -1.26 -4.26 121.20 118.86 1xn6 s ILE 110 Ca 0.75 -1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.49 1xn6 s ILE 110 Cb -0.36 -1.50 -0.08 0.00 -1.58 0.00 0.00 42.46 38.94 1xn6 s ILE 110 CO 0.49 -0.07 0.98 -0.76 -1.23 0.00 0.00 174.94 174.35 1xn6 s LEU 111 N -1.87 3.64 -0.07 2.97 1.02 -1.26 -4.96 118.68 118.15 1xn6 s LEU 111 Ca 0.06 1.57 -0.18 0.00 0.02 0.00 0.00 54.13 55.60 1xn6 s LEU 111 Cb -0.10 -4.51 -0.14 0.00 0.02 0.00 0.00 46.19 41.47 1xn6 s LEU 111 CO 0.04 -0.57 0.68 1.55 0.02 0.00 0.00 176.35 178.07 1xn6 h PRO 112 N 0.98 -0.18 0.00 1.29 0.13 -1.98 -2.46 132.00 129.78 1xn6 h PRO 112 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xn6 h PRO 112 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xn6 h PRO 112 CO 0.61 0.23 0.00 1.63 -0.23 0.00 0.00 178.00 180.24 1xn6 n LYS 113 N -4.88 0.00 -0.18 0.86 5.02 -1.26 -3.91 118.16 113.82 1xn6 n LYS 113 Ca -0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.18 1xn6 n LYS 113 Cb 0.24 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 n ALA 114 N -0.78 -0.27 -2.12 7.82 0.00 -1.26 -4.90 120.51 119.00 1xn6 n ALA 114 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1xn6 n ALA 114 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.95 -4.41 -3.56 0.00 5.15 -0.93 -5.03 115.26 102.54 1xn6 n ASN 115 Ca 0.01 0.03 -0.09 0.00 -0.60 0.00 0.00 54.58 53.93 1xn6 n ASN 115 Cb 0.11 -2.79 -0.04 0.00 -0.53 0.00 0.00 39.78 36.53 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 -2.66 -1.92 -0.22 5.20 0.00 -1.26 -4.98 121.76 115.91 1xn6 s ALA 116 Ca 0.03 1.46 -0.37 0.00 0.00 0.00 0.00 51.96 53.08 1xn6 s ALA 116 Cb -0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 23.12 22.56 1xn6 s ALA 116 CO 0.31 -0.42 1.88 1.63 0.00 0.00 0.00 175.76 179.16 1xn6 n LYS 117 N 0.43 1.56 0.31 0.00 5.02 -1.26 -4.35 118.16 119.87 1xn6 n LYS 117 Ca -0.09 0.55 0.17 0.00 -2.02 0.00 0.00 58.31 56.93 1xn6 n LYS 117 Cb 0.59 -2.39 1.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 8.97 0.00 0.35 4.39 4.64 -1.80 0.17 113.55 130.28 1xn6 h SER 118 Ca -0.44 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.66 1xn6 h SER 118 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1xn6 h SER 118 CO 0.97 0.00 -0.94 0.77 -0.87 0.00 0.00 176.83 176.76 1xn6 h SER 119 N 0.00 0.52 0.01 4.97 4.64 -1.87 -1.72 113.55 120.09 1xn6 h SER 119 Ca -0.00 -0.41 -0.20 0.00 -0.47 0.00 0.00 61.79 60.70 1xn6 h SER 119 Cb 0.00 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1xn6 h SER 119 CO 0.00 1.22 -0.80 0.40 -0.87 0.00 0.00 176.83 176.78 1xn6 h ILE 120 N 0.22 1.37 -0.90 0.95 2.04 -1.33 -2.70 117.51 117.16 1xn6 h ILE 120 Ca -0.08 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.61 1xn6 h ILE 120 Cb 1.58 2.53 -0.04 0.00 -0.74 0.00 0.00 36.82 40.14 1xn6 h ILE 120 CO 0.16 0.65 0.55 0.40 0.00 0.00 0.00 178.15 179.90 1xn6 h ILE 121 N 0.10 1.25 -0.08 -0.67 1.08 -0.81 0.60 117.51 118.98 1xn6 h ILE 121 Ca -0.10 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1xn6 h ILE 121 Cb 1.49 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1xn6 h ILE 121 CO 0.16 0.26 0.05 -0.09 -0.69 0.00 0.00 178.15 177.84 1xn6 h ARG 122 N 1.24 0.10 -0.26 2.37 2.43 -1.32 1.16 114.38 120.10 1xn6 h ARG 122 Ca 0.32 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1xn6 h ARG 122 Cb -0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1xn6 h ARG 122 CO -0.06 0.07 0.02 0.22 -1.51 0.00 0.00 179.97 178.71 1xn6 h ASP 123 N 0.10 0.44 0.17 -3.80 3.58 -1.10 1.22 116.42 117.02 1xn6 h ASP 123 Ca 0.03 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1xn6 h ASP 123 Cb -0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1xn6 h ASP 123 CO -0.01 0.61 -0.08 0.03 -2.88 0.00 0.00 179.24 176.92 1xn6 h ARG 124 N 0.24 -0.22 -0.32 0.28 3.08 0.46 1.22 114.38 119.13 1xn6 h ARG 124 Ca 0.08 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1xn6 h ARG 124 Cb 0.38 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1xn6 h ARG 124 CO 0.01 -0.15 -0.07 1.98 -1.07 0.00 0.00 179.97 180.67 1xn6 h MET 125 N -0.23 0.61 0.19 0.04 4.05 0.14 -2.10 114.93 117.63 1xn6 h MET 125 Ca -0.02 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1xn6 h MET 125 Cb 0.18 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1xn6 h MET 125 CO 0.04 0.79 -0.09 1.03 0.23 0.00 0.00 176.91 178.91 1xn6 h SER 126 N 0.38 -0.21 -0.36 1.39 0.87 0.17 0.23 113.55 116.01 1xn6 h SER 126 Ca 0.08 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1xn6 h SER 126 Cb 0.56 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.49 1xn6 h SER 126 CO 0.03 -0.01 -0.25 1.23 -0.53 0.00 0.00 176.83 177.30 1xn6 h GLY 127 N -0.41 -0.08 2.00 5.77 0.00 0.15 1.13 103.07 111.64 1xn6 h GLY 127 Ca -0.03 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1xn6 h GLY 127 CO 0.04 -0.20 -0.06 -1.33 0.00 0.00 0.00 176.54 174.99 1xn6 h GLY 128 N -0.20 0.00 1.31 4.60 0.00 -1.30 -2.46 103.07 105.02 1xn6 h GLY 128 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.21 1xn6 h GLY 128 CO -0.48 0.00 -1.27 1.49 0.00 0.00 0.00 176.54 176.28 1xn6 h TRP 129 N 0.00 0.93 -0.74 5.60 -0.00 0.30 -0.03 115.95 122.01 1xn6 h TRP 129 Ca -0.00 -0.61 0.05 0.00 -0.00 0.00 0.00 58.89 58.33 1xn6 h TRP 129 Cb 0.51 -0.07 -0.05 0.00 -0.00 0.00 0.00 29.16 29.55 1xn6 h TRP 129 CO 0.00 1.45 0.45 0.28 -0.00 0.00 0.00 178.44 180.62 1xn6 h VAL 130 N 0.23 1.04 0.06 1.49 2.07 0.16 1.50 116.25 122.79 1xn6 h VAL 130 Ca -0.19 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1xn6 h VAL 130 Cb 1.95 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1xn6 h VAL 130 CO 0.24 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.95 1xn6 h ALA 131 N 1.34 -0.08 -1.00 1.67 0.00 -1.52 -1.74 119.26 117.92 1xn6 h ALA 131 Ca 0.31 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1xn6 h ALA 131 Cb 0.11 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 1xn6 h ALA 131 CO -0.15 -0.21 0.63 0.82 0.00 0.00 0.00 179.25 180.35 1xn6 h ILE 132 N -0.75 0.93 -0.12 0.00 2.04 -0.70 1.18 117.51 120.08 1xn6 h ILE 132 Ca -0.01 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1xn6 h ILE 132 Cb 0.62 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1xn6 h ILE 132 CO 0.01 0.18 -0.28 0.58 0.00 0.00 0.00 178.15 178.64 1xn6 h VAL 133 N 1.01 1.25 -0.82 1.67 2.07 0.21 -2.19 116.25 119.45 1xn6 h VAL 133 Ca 0.49 -1.18 -0.58 0.00 0.82 0.00 0.00 66.70 66.25 1xn6 h VAL 133 Cb 0.47 1.47 -0.39 0.00 -1.52 0.00 0.00 31.29 31.32 1xn6 h VAL 133 CO -0.26 0.36 -0.36 0.59 0.02 0.00 0.00 177.57 177.91 1xn6 n ASN 134 N -4.14 5.68 0.00 0.57 3.02 0.11 -3.46 115.26 117.05 1xn6 n ASN 134 Ca -0.01 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 1xn6 n ASN 134 Cb 0.38 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.77 0.00 -0.02 3.52 -0.58 0.36 -4.88 120.64 118.28 1xn6 n GLU 135 Ca 0.49 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1xn6 n GLU 135 Cb 0.89 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.76 1xn6 n GLU 135 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xn6 h LYS 136 N 0.00 0.00 -0.97 3.49 1.57 -1.60 -3.02 116.57 116.04 1xn6 h LYS 136 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1xn6 h LYS 136 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.14 1xn6 h LYS 136 CO 0.00 0.00 -0.33 -0.11 -0.57 0.00 0.00 179.45 178.44 1xn6 n LEU 137 N -3.27 -0.53 -0.16 2.94 7.94 -1.09 0.19 117.00 123.02 1xn6 n LEU 137 Ca -0.00 1.68 -0.02 0.00 -1.11 0.00 0.00 56.01 56.55 1xn6 n LEU 137 Cb 0.01 -0.43 0.06 0.00 0.53 0.00 0.00 43.42 43.59 1xn6 n LEU 137 CO 0.00 -1.54 0.84 0.50 -1.11 0.00 0.00 177.39 176.08 1xn6 h LYS 138 N 0.00 0.10 -0.08 1.96 1.63 -1.71 0.92 116.57 119.40 1xn6 h LYS 138 Ca 0.38 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.09 1xn6 h LYS 138 Cb 0.62 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1xn6 h LYS 138 CO -0.97 0.07 -0.33 -0.22 -3.45 0.00 0.00 179.45 174.55 1xn6 h LYS 139 N 0.11 0.15 0.37 1.90 3.64 0.20 0.68 116.57 123.61 1xn6 h LYS 139 Ca 0.25 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1xn6 h LYS 139 Cb 0.38 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1xn6 h LYS 139 CO -0.42 0.47 -0.18 0.28 -2.27 0.00 0.00 179.45 177.33 1xn6 h VAL 140 N 0.13 0.59 0.51 2.00 2.07 0.61 1.30 116.25 123.46 1xn6 h VAL 140 Ca 0.02 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1xn6 h VAL 140 Cb 0.65 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1xn6 h VAL 140 CO 0.05 0.09 -0.24 0.58 0.02 0.00 0.00 177.57 178.07 1xn6 h VAL 141 N -0.81 0.35 -0.95 2.57 2.07 0.76 -3.08 116.25 117.16 1xn6 h VAL 141 Ca -0.05 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.12 1xn6 h VAL 141 Cb 0.53 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1xn6 h VAL 141 CO 0.08 0.05 0.61 -0.08 0.02 0.00 0.00 177.57 178.26 1xn6 h GLU 142 N -0.99 1.03 0.00 1.57 4.81 0.29 -3.49 114.58 117.80 1xn6 h GLU 142 Ca -0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xn6 h GLU 142 Cb 0.61 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1xn6 h GLU 142 CO 0.11 0.68 0.00 0.41 -0.73 0.00 0.00 179.01 179.48