#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 1.79 -0.39 2.12 0.00 -1.26 -4.92 120.64 117.98 1xn6 n GLU 2 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 57.16 57.63 1xn6 n GLU 2 Cb 0.00 -2.41 0.18 0.00 0.00 0.00 0.00 31.44 29.21 1xn6 n GLU 2 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1xn6 n GLN 3 N 4.76 -2.30 -0.76 5.31 7.27 -1.26 -4.89 117.38 125.51 1xn6 n GLN 3 Ca 0.21 -0.88 -0.33 0.00 0.07 0.00 0.00 57.00 56.07 1xn6 n GLN 3 Cb 0.24 -1.49 0.14 0.00 2.41 0.00 0.00 30.24 31.54 1xn6 n GLN 3 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1xn6 n GLN 4 N -2.54 -0.88 -1.69 3.69 1.13 -1.26 -4.69 117.38 111.14 1xn6 n GLN 4 Ca 0.08 -0.23 -0.29 0.00 -1.94 0.00 0.00 57.00 54.62 1xn6 n GLN 4 Cb 0.36 -1.69 -0.04 0.00 0.11 0.00 0.00 30.24 28.98 1xn6 n GLN 4 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1xn6 s ASN 5 N -1.82 4.48 0.07 1.08 0.01 -1.26 -4.87 114.94 112.62 1xn6 s ASN 5 Ca 0.54 0.47 -0.08 0.00 -0.71 0.00 0.00 52.86 53.09 1xn6 s ASN 5 Cb -0.15 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1xn6 s ASN 5 CO 0.68 -3.08 0.16 0.42 -1.51 0.00 0.00 177.10 173.76 1xn6 s THR 6 N 12.26 0.14 -0.42 1.60 -4.23 -1.26 -4.90 115.64 118.83 1xn6 s THR 6 Ca 0.88 -1.16 -0.43 0.00 -1.18 0.00 0.00 61.69 59.80 1xn6 s THR 6 Cb -0.14 -1.19 -0.18 0.00 1.34 0.00 0.00 72.50 72.33 1xn6 s THR 6 CO 0.17 -0.64 1.84 0.18 -0.54 0.00 0.00 174.62 175.63 1xn6 n LEU 7 N 0.25 1.53 -4.47 4.79 4.77 -1.13 -4.84 117.00 117.91 1xn6 n LEU 7 Ca -0.16 0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 56.44 1xn6 n LEU 7 Cb 0.61 -1.00 0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1xn6 n LEU 7 CO 0.23 -0.69 0.09 0.59 -1.33 0.00 0.00 177.39 176.28 1xn6 n ASN 8 N 5.87 -1.49 -4.87 -1.43 3.02 -1.26 -4.87 115.26 110.23 1xn6 n ASN 8 Ca 0.37 0.32 -0.33 0.00 -0.03 0.00 0.00 54.58 54.90 1xn6 n ASN 8 Cb 0.03 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 37.88 1xn6 n ASN 8 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1xn6 s ASP 9 N -2.17 6.66 -0.85 6.41 1.01 -1.26 -4.94 116.67 121.52 1xn6 s ASP 9 Ca 0.60 0.91 -0.23 0.00 0.71 0.00 0.00 52.55 54.54 1xn6 s ASP 9 Cb -0.21 -2.22 0.06 0.00 1.01 0.00 0.00 42.92 41.56 1xn6 s ASP 9 CO 0.65 -0.01 1.24 -0.63 0.21 0.00 0.00 175.17 176.63 1xn6 s ILE 10 N -1.70 4.11 0.21 0.77 1.01 -0.86 -4.88 121.20 119.87 1xn6 s ILE 10 Ca 0.44 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1xn6 s ILE 10 Cb -0.12 -4.89 -0.07 0.00 0.01 0.00 0.00 42.46 37.39 1xn6 s ILE 10 CO 0.21 -1.73 0.58 -0.75 0.00 0.00 0.00 174.94 173.25 1xn6 s LYS 11 N 4.54 3.90 -0.43 2.79 2.20 -1.24 -2.41 119.74 129.09 1xn6 s LYS 11 Ca 0.35 0.42 0.05 0.00 -0.36 0.00 0.00 55.97 56.43 1xn6 s LYS 11 Cb -0.07 -2.72 0.17 0.00 -1.51 0.00 0.00 37.83 33.71 1xn6 s LYS 11 CO 0.01 0.35 0.47 -0.65 -0.36 0.00 0.00 175.35 175.17 1xn6 s GLN 12 N -2.53 0.86 -0.21 4.03 -0.21 -0.33 -4.91 119.66 116.36 1xn6 s GLN 12 Ca 0.45 -1.35 -0.27 0.00 0.02 0.00 0.00 55.36 54.21 1xn6 s GLN 12 Cb -0.12 -0.75 -0.00 0.00 1.00 0.00 0.00 33.01 33.13 1xn6 s GLN 12 CO 0.20 -1.30 0.93 0.99 -2.12 0.00 0.00 175.29 173.99 1xn6 s THR 13 N 0.80 4.78 0.03 -0.19 2.01 -1.26 -2.38 115.64 119.43 1xn6 s THR 13 Ca 0.26 1.81 -0.05 0.00 0.31 0.00 0.00 61.69 64.03 1xn6 s THR 13 Cb -0.04 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 1xn6 s THR 13 CO -0.09 -0.09 0.08 -0.51 -0.69 0.00 0.00 174.62 173.31 1xn6 s ILE 14 N 2.77 0.13 -0.18 1.82 2.07 0.13 -4.98 121.20 122.95 1xn6 s ILE 14 Ca 0.40 -1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 58.59 1xn6 s ILE 14 Cb -0.16 -0.76 -0.00 0.00 0.13 0.00 0.00 42.46 41.67 1xn6 s ILE 14 CO 0.09 -0.57 -0.11 -0.69 -1.91 0.00 0.00 174.94 171.75 1xn6 s VAL 15 N -2.30 2.92 0.31 4.00 1.01 -1.26 0.50 120.40 125.58 1xn6 s VAL 15 Ca -0.08 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1xn6 s VAL 15 Cb -0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1xn6 s VAL 15 CO -0.03 0.48 0.12 -0.36 0.00 0.00 0.00 175.10 175.31 1xn6 s PHE 16 N 1.12 2.77 -1.21 5.22 0.08 -1.04 -4.99 117.98 119.92 1xn6 s PHE 16 Ca 0.01 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 56.68 1xn6 s PHE 16 Cb -0.14 -1.50 0.21 0.00 -0.57 0.00 0.00 43.02 41.02 1xn6 s PHE 16 CO -0.03 0.42 1.75 -1.71 -0.10 0.00 0.00 175.22 175.55 1xn6 n ASN 17 N -1.10 5.54 -2.61 1.36 2.85 -1.26 -2.79 115.26 117.25 1xn6 n ASN 17 Ca -0.04 -3.21 -0.09 0.00 -0.11 0.00 0.00 54.58 51.12 1xn6 n ASN 17 Cb 0.60 -1.41 0.01 0.00 1.24 0.00 0.00 39.78 40.22 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 3.01 -1.12 -2.80 5.20 0.00 0.35 -4.86 120.51 120.28 1xn6 n ALA 18 Ca 0.35 -1.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.30 1xn6 n ALA 18 Cb 0.35 0.96 -0.06 0.00 0.00 0.00 0.00 19.45 20.70 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 -2.82 5.64 0.40 0.00 0.01 -1.26 -0.87 113.70 114.80 1xn6 s SER 19 Ca 0.18 -0.00 0.20 0.00 1.31 0.00 0.00 55.95 57.63 1xn6 s SER 19 Cb -0.03 -1.54 1.14 0.00 0.21 0.00 0.00 66.02 65.80 1xn6 s SER 19 CO 0.13 0.14 1.75 -0.29 0.41 0.00 0.00 173.24 175.38 1xn6 h ILE 20 N 2.36 0.47 -0.38 1.44 2.10 -1.87 0.78 117.51 122.41 1xn6 h ILE 20 Ca -0.47 -0.12 -0.11 0.00 1.08 0.00 0.00 64.86 65.24 1xn6 h ILE 20 Cb 1.17 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 1xn6 h ILE 20 CO 0.66 0.06 -0.20 1.56 -1.08 0.00 0.00 178.15 179.16 1xn6 h GLN 21 N 0.36 0.80 0.62 2.19 7.50 -1.94 0.50 115.11 125.15 1xn6 h GLN 21 Ca 0.63 -0.36 -0.03 0.00 0.50 0.00 0.00 58.65 59.39 1xn6 h GLN 21 Cb 1.64 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 29.16 1xn6 h GLN 21 CO -0.32 0.98 -0.30 -0.22 -1.50 0.00 0.00 178.83 177.47 1xn6 h LYS 22 N 0.60 -0.81 -0.97 1.46 3.64 0.01 0.34 116.57 120.84 1xn6 h LYS 22 Ca 0.08 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1xn6 h LYS 22 Cb 0.75 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.66 1xn6 h LYS 22 CO 0.06 -0.49 0.59 0.28 -2.27 0.00 0.00 179.45 177.62 1xn6 h VAL 23 N -1.03 0.85 -0.47 2.00 2.07 -0.56 0.22 116.25 119.34 1xn6 h VAL 23 Ca -0.09 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xn6 h VAL 23 Cb 0.69 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1xn6 h VAL 23 CO 0.14 0.16 0.20 -0.25 0.02 0.00 0.00 177.57 177.84 1xn6 h TRP 24 N 0.89 0.69 -0.38 1.57 2.91 -0.67 -1.38 115.95 119.59 1xn6 h TRP 24 Ca 0.50 -0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.53 1xn6 h TRP 24 Cb 0.58 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 1xn6 h TRP 24 CO -0.02 0.58 0.26 1.03 -1.03 0.00 0.00 178.44 179.25 1xn6 h SER 25 N 0.61 0.26 1.24 2.65 0.87 0.27 0.60 113.55 120.05 1xn6 h SER 25 Ca 0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1xn6 h SER 25 Cb 0.16 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1xn6 h SER 25 CO -0.02 0.18 0.00 0.52 -0.53 0.00 0.00 176.83 176.98 1xn6 n VAL 26 N -4.48 0.67 -2.47 2.23 0.31 0.02 -3.22 118.33 111.39 1xn6 n VAL 26 Ca 0.04 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 1xn6 n VAL 26 Cb 0.23 -0.77 0.02 0.00 -0.91 0.00 0.00 33.84 32.41 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 -2.27 1.87 -1.90 2.52 0.24 0.19 -3.56 118.33 115.42 1xn6 n VAL 27 Ca 0.04 -3.88 -0.05 0.00 -2.04 0.00 0.00 64.34 58.41 1xn6 n VAL 27 Cb 0.37 -0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.48 -0.73 -3.01 -1.34 3.41 0.10 -4.90 113.62 106.67 1xn6 n SER 28 Ca 0.27 -1.44 -0.17 0.00 -0.26 0.00 0.00 58.87 57.26 1xn6 n SER 28 Cb 0.81 0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 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 -0.07 0.00 -0.11 6.66 -2.24 -1.24 -4.92 114.28 112.36 1xn6 n THR 29 Ca -0.19 -2.17 -0.22 0.00 -2.27 0.00 0.00 64.05 59.19 1xn6 n THR 29 Cb 0.58 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.92 1.20 0.02 6.98 0.00 -1.26 -3.90 120.51 122.63 1xn6 n ALA 30 Ca -0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 53.44 52.20 1xn6 n ALA 30 Cb 0.55 -0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.37 0.23 -0.75 0.00 4.81 -1.95 -1.98 114.58 114.57 1xn6 h GLU 31 Ca -0.56 -0.39 0.12 0.00 -0.13 0.00 0.00 59.36 58.39 1xn6 h GLU 31 Cb 1.78 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 31.23 1xn6 h GLU 31 CO -0.16 1.19 0.35 0.78 -0.73 0.00 0.00 179.01 180.44 1xn6 h GLY 32 N -0.44 1.15 0.35 1.92 0.00 -1.85 1.05 103.07 105.24 1xn6 h GLY 32 Ca -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1xn6 h GLY 32 CO 0.10 -0.01 -0.08 -2.22 0.00 0.00 0.00 176.54 174.33 1xn6 h ILE 33 N 0.55 0.76 -0.00 2.60 2.04 -1.67 -3.02 117.51 118.77 1xn6 h ILE 33 Ca 0.39 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1xn6 h ILE 33 Cb 0.50 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xn6 h ILE 33 CO -0.33 0.20 0.24 0.00 0.00 0.00 0.00 178.15 178.26 1xn6 h ALA 34 N -0.39 1.25 0.00 1.87 0.00 -0.97 0.59 119.26 121.61 1xn6 h ALA 34 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xn6 h ALA 34 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xn6 h ALA 34 CO 0.04 -0.24 0.05 1.03 0.00 0.00 0.00 179.25 180.13 1xn6 h SER 35 N 0.00 0.00 0.00 0.00 0.87 0.13 -3.35 113.55 111.20 1xn6 h SER 35 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xn6 h SER 35 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1xn6 h SER 35 CO -0.00 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 173.63 1xn6 n TRP 36 N -2.30 -2.21 0.00 2.24 4.27 0.10 -4.92 117.44 114.63 1xn6 n TRP 36 Ca -0.01 0.47 0.00 0.00 -3.89 0.00 0.00 57.50 54.07 1xn6 n TRP 36 Cb 0.08 1.03 0.00 0.00 -1.36 0.00 0.00 31.31 31.06 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 -3.16 0.00 -3.62 -2.67 7.35 0.17 -4.99 117.46 110.54 1xn6 n PHE 37 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 1xn6 n PHE 37 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn6 s MET 38 N -0.21 0.47 -0.04 -4.13 -1.94 -1.25 -4.93 119.30 107.27 1xn6 s MET 38 Ca 0.00 -0.24 -0.30 0.00 -1.71 0.00 0.00 55.69 53.44 1xn6 s MET 38 Cb 0.00 0.17 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 1xn6 s MET 38 CO 0.00 -0.21 1.21 -1.25 -0.01 0.00 0.00 175.02 174.76 1xn6 s PRO 39 N -2.53 4.36 0.23 2.03 0.04 -1.26 -3.30 135.00 134.56 1xn6 s PRO 39 Ca 0.12 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 1xn6 s PRO 39 Cb 0.03 -3.53 0.04 0.00 0.04 0.00 0.00 34.50 31.08 1xn6 s PRO 39 CO -0.04 -0.43 0.85 0.54 0.04 0.00 0.00 177.00 177.96 1xn6 s ASN 40 N 1.45 -0.19 -0.76 6.66 2.20 -1.26 -0.46 114.94 122.59 1xn6 s ASN 40 Ca 0.57 -0.56 -0.02 0.00 -0.94 0.00 0.00 52.86 51.91 1xn6 s ASN 40 Cb -0.26 0.62 0.37 0.00 -2.00 0.00 0.00 41.25 39.99 1xn6 s ASN 40 CO 0.23 -1.16 2.06 -0.67 -2.94 0.00 0.00 177.10 174.63 1xn6 n ASP 41 N -0.57 7.54 -3.20 3.54 -0.08 -1.13 -4.86 116.55 117.80 1xn6 n ASP 41 Ca -0.05 -3.78 -0.37 0.00 -1.51 0.00 0.00 54.79 49.07 1xn6 n ASP 41 Cb 0.60 -1.04 -0.03 0.00 2.34 0.00 0.00 41.12 42.98 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 -0.61 -0.07 -4.53 -0.67 7.35 -1.26 -4.85 117.46 112.82 1xn6 n PHE 42 Ca 0.57 0.72 -0.22 0.00 -0.76 0.00 0.00 57.45 57.76 1xn6 n PHE 42 Cb 0.41 -1.45 -0.16 0.00 0.35 0.00 0.00 39.48 38.63 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 -0.47 0.98 -1.28 -2.13 0.11 -1.26 -4.77 120.40 111.59 1xn6 s VAL 43 Ca 0.53 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1xn6 s VAL 43 Cb -0.76 -0.85 0.17 0.00 -1.53 0.00 0.00 36.38 33.40 1xn6 s VAL 43 CO 0.41 0.29 1.98 -0.11 -3.33 0.00 0.00 175.10 174.34 1xn6 n LEU 44 N 3.17 7.02 -3.79 2.54 7.94 -1.26 -4.89 117.00 127.72 1xn6 n LEU 44 Ca -0.17 -4.76 -0.13 0.00 -1.11 0.00 0.00 56.01 49.84 1xn6 n LEU 44 Cb 0.54 -1.43 -0.13 0.00 0.53 0.00 0.00 43.42 42.93 1xn6 n LEU 44 CO 0.25 1.59 -0.19 -1.61 -1.11 0.00 0.00 177.39 176.31 1xn6 s GLU 45 N -0.30 0.16 0.34 1.96 2.02 -1.26 -5.11 118.70 116.51 1xn6 s GLU 45 Ca 0.43 0.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.41 1xn6 s GLU 45 Cb 0.12 0.01 -0.11 0.00 0.10 0.00 0.00 34.13 34.25 1xn6 s GLU 45 CO -0.01 -0.07 1.39 0.08 0.02 0.00 0.00 175.26 176.67 1xn6 s VAL 46 N 0.43 2.48 -0.93 2.63 1.01 -1.26 -2.07 120.40 122.69 1xn6 s VAL 46 Ca -0.03 0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1xn6 s VAL 46 Cb -0.04 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1xn6 s VAL 46 CO -0.02 0.11 0.15 0.61 0.00 0.00 0.00 175.10 175.95 1xn6 n GLY 47 N 0.87 -0.49 2.93 4.51 0.00 -0.37 -4.84 105.19 107.79 1xn6 n GLY 47 Ca 0.01 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.38 2.40 -1.60 1.61 -0.00 -0.88 -4.92 115.22 108.45 1xn6 n HIS 48 Ca -0.08 -2.76 -0.40 0.00 -0.00 0.00 0.00 57.72 54.49 1xn6 n HIS 48 Cb 0.57 -1.16 0.02 0.00 -0.00 0.00 0.00 29.99 29.42 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 1.23 1.18 -3.05 1.57 0.28 -1.26 -4.52 120.64 116.06 1xn6 n GLU 49 Ca 0.27 0.43 -0.09 0.00 -0.16 0.00 0.00 57.16 57.60 1xn6 n GLU 49 Cb 0.34 -2.05 -0.04 0.00 1.43 0.00 0.00 31.44 31.12 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 -0.90 -0.30 -4.34 -1.84 -1.74 -0.52 -5.00 117.46 102.81 1xn6 n PHE 50 Ca 0.11 -1.29 -0.32 0.00 -0.56 0.00 0.00 57.45 55.39 1xn6 n PHE 50 Cb 0.42 0.11 -0.10 0.00 1.52 0.00 0.00 39.48 41.44 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1xn6 s HIS 51 N -2.57 2.92 0.10 2.97 3.76 -1.26 -3.36 115.29 117.85 1xn6 s HIS 51 Ca 0.17 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 1xn6 s HIS 51 Cb 0.01 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 1xn6 s HIS 51 CO 0.12 0.41 -0.10 0.08 -0.85 0.00 0.00 174.74 174.41 1xn6 s VAL 52 N -1.09 0.94 -0.26 -0.90 1.01 -1.26 -2.84 120.40 115.99 1xn6 s VAL 52 Ca 0.20 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.49 1xn6 s VAL 52 Cb -0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1xn6 s VAL 52 CO 0.11 -0.55 0.05 -1.10 0.00 0.00 0.00 175.10 173.61 1xn6 s GLN 53 N -2.75 3.35 0.12 2.72 -1.52 0.40 -3.89 119.66 118.09 1xn6 s GLN 53 Ca 0.05 -0.68 0.09 0.00 -1.95 0.00 0.00 55.36 52.87 1xn6 s GLN 53 Cb -0.03 -3.29 -0.04 0.00 -0.22 0.00 0.00 33.01 29.43 1xn6 s GLN 53 CO 0.00 -0.31 -0.21 0.45 -0.25 0.00 0.00 175.29 174.98 1xn6 s SER 54 N 1.54 2.66 0.48 5.90 0.15 -1.25 -4.14 113.70 119.03 1xn6 s SER 54 Ca 0.05 -0.74 0.28 0.00 0.70 0.00 0.00 55.95 56.24 1xn6 s SER 54 Cb -0.16 -0.15 0.87 0.00 -1.71 0.00 0.00 66.02 64.86 1xn6 s SER 54 CO 0.02 0.05 1.80 1.55 1.20 0.00 0.00 173.24 177.85 1xn6 h PRO 55 N 3.83 0.00 -1.74 5.44 0.13 -2.01 -3.23 132.00 134.41 1xn6 h PRO 55 Ca -0.46 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1xn6 h PRO 55 Cb 1.19 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.94 1xn6 h PRO 55 CO 0.43 0.00 -0.15 0.34 -0.23 0.00 0.00 178.00 178.39 1xn6 n PHE 56 N -3.03 3.32 0.00 1.56 -0.00 -1.26 -5.04 117.46 113.01 1xn6 n PHE 56 Ca 0.02 -2.94 0.00 0.00 -0.00 0.00 0.00 57.45 54.54 1xn6 n PHE 56 Cb 0.41 -0.47 0.00 0.00 -0.00 0.00 0.00 39.48 39.42 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn6 n GLY 57 N -0.47 -0.20 3.74 7.13 0.00 -1.22 -4.95 105.19 109.22 1xn6 n GLY 57 Ca 0.43 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.11 4.58 -0.33 1.61 0.04 -1.26 -3.80 135.00 132.72 1xn6 s PRO 58 Ca 0.00 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1xn6 s PRO 58 Cb 0.00 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.38 1xn6 s PRO 58 CO 0.00 0.05 0.15 -1.12 0.04 0.00 0.00 177.00 176.12 1xn6 s SER 59 N -0.09 3.59 0.41 6.66 0.01 -1.25 -4.92 113.70 118.10 1xn6 s SER 59 Ca 0.50 -1.75 -0.24 0.00 1.31 0.00 0.00 55.95 55.77 1xn6 s SER 59 Cb -0.30 -0.60 -0.09 0.00 0.21 0.00 0.00 66.02 65.24 1xn6 s SER 59 CO 0.35 -0.38 1.05 -2.16 0.41 0.00 0.00 173.24 172.51 1xn6 s PRO 60 N 1.52 4.12 0.20 12.44 0.04 -1.26 -4.18 135.00 147.87 1xn6 s PRO 60 Ca 0.12 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.77 1xn6 s PRO 60 Cb -0.19 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1xn6 s PRO 60 CO -0.21 -0.18 -0.13 0.00 0.04 0.00 0.00 177.00 176.53 1xn6 s LYS 62 N -2.89 0.66 0.35 0.00 2.20 -1.16 -1.44 119.74 117.46 1xn6 s LYS 62 Ca 0.25 -0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 1xn6 s LYS 62 Cb -0.08 -1.71 -0.11 0.00 -1.51 0.00 0.00 37.83 34.42 1xn6 s LYS 62 CO 0.14 -0.51 1.48 0.08 -0.36 0.00 0.00 175.35 176.18 1xn6 s VAL 63 N 1.90 2.15 -0.18 4.02 1.01 -1.26 -0.19 120.40 127.85 1xn6 s VAL 63 Ca 0.01 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1xn6 s VAL 63 Cb -0.15 -3.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 1xn6 s VAL 63 CO -0.07 0.03 -0.28 0.18 0.00 0.00 0.00 175.10 174.96 1xn6 n LEU 64 N 0.86 1.62 -4.11 3.92 4.77 -0.07 -1.24 117.00 122.75 1xn6 n LEU 64 Ca 0.02 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 1xn6 n LEU 64 Cb 0.39 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.71 1xn6 n LEU 64 CO 0.63 0.11 -0.44 -0.70 -1.33 0.00 0.00 177.39 175.66 1xn6 s GLU 65 N -2.53 0.76 -0.08 3.23 2.56 -1.06 -4.53 118.70 117.05 1xn6 s GLU 65 Ca -0.27 -0.76 0.01 0.00 0.00 0.00 0.00 54.97 53.94 1xn6 s GLU 65 Cb 0.08 -0.70 0.02 0.00 2.00 0.00 0.00 34.13 35.53 1xn6 s GLU 65 CO 0.36 0.16 -0.08 0.42 -0.56 0.00 0.00 175.26 175.57 1xn6 s ILE 66 N -1.03 0.87 -0.50 -3.70 1.01 -1.26 -1.06 121.20 115.53 1xn6 s ILE 66 Ca -0.02 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1xn6 s ILE 66 Cb -0.08 -0.87 0.19 0.00 0.01 0.00 0.00 42.46 41.71 1xn6 s ILE 66 CO 0.01 0.32 0.69 0.47 0.00 0.00 0.00 174.94 176.43 1xn6 n ASP 67 N 4.37 -2.97 -0.25 3.58 8.00 0.05 -4.99 116.55 124.34 1xn6 n ASP 67 Ca -0.18 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1xn6 n ASP 67 Cb 0.51 1.43 0.07 0.00 -0.02 0.00 0.00 41.12 43.11 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 4.96 -0.03 -2.69 -1.24 4.81 -1.98 1.27 114.58 119.67 1xn6 h GLU 68 Ca 0.06 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.00 1xn6 h GLU 68 Cb 1.07 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1xn6 h GLU 68 CO 0.10 -0.02 1.29 -0.35 -0.73 0.00 0.00 179.01 179.30 1xn6 n PRO 69 N -5.48 2.06 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.22 1xn6 n PRO 69 Ca 0.09 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1xn6 n PRO 69 Cb 0.38 -2.19 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 0.09 -0.04 0.00 0.00 175.50 175.55 1xn6 n ASN 70 N 3.20 0.00 0.00 3.54 5.03 -0.45 -5.14 115.26 121.44 1xn6 n ASN 70 Ca 0.44 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1xn6 n ASN 70 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 1xn6 n ASN 70 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xn6 n HIS 71 N 0.00 0.00 -3.84 3.10 1.44 0.43 -2.06 115.22 114.28 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 -0.06 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 0.87 0.06 2.39 2.34 -1.25 -0.77 118.68 122.32 1xn6 s LEU 72 Ca 0.00 -0.66 0.02 0.00 0.06 0.00 0.00 54.13 53.55 1xn6 s LEU 72 Cb 0.00 1.39 -0.03 0.00 -0.56 0.00 0.00 46.19 46.99 1xn6 s LEU 72 CO 0.00 -0.86 -0.07 -0.94 -1.06 0.00 0.00 176.35 173.42 1xn6 s SER 73 N -2.90 0.93 0.02 1.48 1.04 -0.22 -3.39 113.70 110.66 1xn6 s SER 73 Ca 0.10 -0.76 -0.22 0.00 0.48 0.00 0.00 55.95 55.55 1xn6 s SER 73 Cb 0.03 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1xn6 s SER 73 CO -0.06 -0.33 0.50 0.72 0.98 0.00 0.00 173.24 175.05 1xn6 s PHE 74 N -2.43 -0.41 0.53 5.02 -0.71 -1.18 -0.89 117.98 117.90 1xn6 s PHE 74 Ca -0.00 0.52 0.01 0.00 -1.04 0.00 0.00 56.93 56.42 1xn6 s PHE 74 Cb -0.03 0.30 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1xn6 s PHE 74 CO -0.02 -0.59 0.75 -1.54 -1.34 0.00 0.00 175.22 172.48 1xn6 s SER 75 N -1.74 5.38 -0.18 1.98 1.04 0.74 -2.60 113.70 118.32 1xn6 s SER 75 Ca -0.08 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 1xn6 s SER 75 Cb -0.01 -0.99 0.05 0.00 0.10 0.00 0.00 66.02 65.17 1xn6 s SER 75 CO 0.01 -1.06 -0.03 0.86 0.98 0.00 0.00 173.24 174.00 1xn6 s TRP 76 N -2.72 1.63 0.79 5.02 -0.11 -0.40 -2.99 118.94 120.15 1xn6 s TRP 76 Ca 0.56 -1.12 -0.13 0.00 1.22 0.00 0.00 56.10 56.62 1xn6 s TRP 76 Cb -0.10 -1.27 0.20 0.00 -1.50 0.00 0.00 33.47 30.79 1xn6 s TRP 76 CO 0.38 -0.63 0.69 -0.25 -4.62 0.00 0.00 176.95 172.52 1xn6 n ASP 77 N 4.89 -1.74 -2.91 5.86 9.92 -0.74 0.54 116.55 132.37 1xn6 n ASP 77 Ca -0.11 -0.92 -0.13 0.00 -0.53 0.00 0.00 54.79 53.11 1xn6 n ASP 77 Cb 0.47 -0.64 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 1xn6 n ASP 77 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xn6 n THR 78 N -4.03 0.00 0.00 -3.53 -2.24 -1.26 -3.98 114.28 99.24 1xn6 n THR 78 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1xn6 n THR 78 Cb 0.37 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.57 0.00 0.00 3.42 8.00 -1.24 -4.81 116.55 120.36 1xn6 n ASP 79 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1xn6 n ASP 79 Cb 0.43 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 -1.42 0.76 3.79 0.44 0.00 0.19 -4.57 105.19 104.37 1xn6 n GLY 80 Ca 0.00 0.00 -0.36 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 -2.00 3.42 -0.07 1.61 0.51 -1.23 -4.67 118.94 116.50 1xn6 s TRP 81 Ca 0.00 1.69 0.04 0.00 -2.12 0.00 0.00 56.10 55.70 1xn6 s TRP 81 Cb 0.00 -3.00 -0.02 0.00 -0.81 0.00 0.00 33.47 29.64 1xn6 s TRP 81 CO 0.00 -0.23 -0.18 0.08 -0.51 0.00 0.00 176.95 176.11 1xn6 s VAL 82 N -1.75 2.69 -0.09 4.03 1.01 0.28 -1.28 120.40 125.30 1xn6 s VAL 82 Ca 0.56 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1xn6 s VAL 82 Cb -0.18 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1xn6 s VAL 82 CO 0.23 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 175.03 1xn6 s VAL 83 N -0.25 1.63 -0.01 2.92 1.01 -1.07 -0.58 120.40 124.06 1xn6 s VAL 83 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1xn6 s VAL 83 Cb -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1xn6 s VAL 83 CO 0.03 0.47 -0.04 -0.94 0.00 0.00 0.00 175.10 174.62 1xn6 s SER 84 N 0.63 0.49 -0.27 3.32 1.04 0.08 -3.13 113.70 115.86 1xn6 s SER 84 Ca -0.14 -0.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.21 1xn6 s SER 84 Cb -0.16 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 65.91 1xn6 s SER 84 CO 0.04 0.03 -0.04 -0.36 0.98 0.00 0.00 173.24 173.89 1xn6 s PHE 85 N 0.06 3.16 0.44 5.02 0.08 -1.22 -0.27 117.98 125.25 1xn6 s PHE 85 Ca -0.00 -1.73 -0.15 0.00 0.12 0.00 0.00 56.93 55.17 1xn6 s PHE 85 Cb -0.03 -2.07 -0.08 0.00 -0.57 0.00 0.00 43.02 40.26 1xn6 s PHE 85 CO -0.00 -0.77 0.88 -0.51 -0.10 0.00 0.00 175.22 174.72 1xn6 s ASP 86 N 1.28 6.67 -0.01 1.36 1.11 0.38 -3.91 116.67 123.55 1xn6 s ASP 86 Ca -0.03 1.42 0.01 0.00 0.18 0.00 0.00 52.55 54.13 1xn6 s ASP 86 Cb -0.18 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1xn6 s ASP 86 CO -0.03 -0.44 -0.03 -0.76 1.18 0.00 0.00 175.17 175.09 1xn6 s LEU 87 N -3.70 1.71 -0.05 1.23 1.02 -0.88 -2.70 118.68 115.31 1xn6 s LEU 87 Ca 0.56 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.65 1xn6 s LEU 87 Cb -0.10 -0.24 0.02 0.00 0.02 0.00 0.00 46.19 45.90 1xn6 s LEU 87 CO 0.26 -0.00 -0.03 -0.75 0.02 0.00 0.00 176.35 175.85 1xn6 s LYS 88 N 0.31 0.74 -0.25 1.70 2.20 -0.66 -4.74 119.74 119.05 1xn6 s LYS 88 Ca -0.03 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 1xn6 s LYS 88 Cb -0.06 -0.85 0.01 0.00 -1.51 0.00 0.00 37.83 35.42 1xn6 s LYS 88 CO -0.01 -0.14 1.05 0.34 -0.36 0.00 0.00 175.35 176.24 1xn6 s ASP 89 N 1.16 7.06 -0.13 1.43 2.15 -1.26 -0.77 116.67 126.31 1xn6 s ASP 89 Ca -0.07 1.32 0.05 0.00 0.43 0.00 0.00 52.55 54.27 1xn6 s ASP 89 Cb -0.14 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.83 1xn6 s ASP 89 CO -0.01 -0.71 -0.06 0.18 -0.17 0.00 0.00 175.17 174.39 1xn6 n LEU 90 N 6.44 1.75 0.00 -1.34 4.77 -1.07 -4.95 117.00 122.60 1xn6 n LEU 90 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1xn6 n LEU 90 Cb 0.46 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1xn6 n LEU 90 CO 0.54 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1xn6 n GLY 91 N 2.59 -1.14 3.34 -0.72 0.00 -0.75 -4.93 105.19 103.58 1xn6 n GLY 91 Ca -0.23 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.30 -3.18 1.61 8.00 -1.26 0.19 116.55 118.61 1xn6 n ASP 92 Ca 0.00 -0.35 -0.23 0.00 0.71 0.00 0.00 54.79 54.92 1xn6 n ASP 92 Cb 0.00 -2.76 0.05 0.00 -0.02 0.00 0.00 41.12 38.39 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 -6.22 -4.14 -2.24 3.02 -1.26 -4.89 115.26 97.31 1xn6 n ASN 93 Ca -0.01 -0.36 -0.19 0.00 -0.03 0.00 0.00 54.58 53.99 1xn6 n ASN 93 Cb 0.53 -4.97 -0.13 0.00 -0.61 0.00 0.00 39.78 34.60 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xn6 s LYS 94 N -5.89 0.86 -0.07 3.52 1.02 0.51 0.13 119.74 119.82 1xn6 s LYS 94 Ca 0.39 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.46 1xn6 s LYS 94 Cb -0.17 -0.85 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 1xn6 s LYS 94 CO 0.48 0.20 0.28 0.99 -0.92 0.00 0.00 175.35 176.39 1xn6 s THR 95 N -1.01 0.03 -0.24 2.17 2.01 -1.03 -1.81 115.64 115.76 1xn6 s THR 95 Ca -0.00 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.56 1xn6 s THR 95 Cb -0.09 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1xn6 s THR 95 CO 0.02 -0.12 0.73 -0.70 -0.69 0.00 0.00 174.62 173.86 1xn6 s GLU 96 N -0.45 4.15 -0.26 4.92 2.12 0.05 -2.51 118.70 126.72 1xn6 s GLU 96 Ca -0.06 0.76 -0.06 0.00 0.36 0.00 0.00 54.97 55.97 1xn6 s GLU 96 Cb -0.04 -3.64 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 1xn6 s GLU 96 CO 0.02 -0.46 0.04 0.12 -0.54 0.00 0.00 175.26 174.43 1xn6 s PHE 97 N 2.65 3.08 -0.25 5.30 5.36 0.18 -1.65 117.98 132.65 1xn6 s PHE 97 Ca 0.31 -0.88 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 1xn6 s PHE 97 Cb -0.15 -2.20 0.06 0.00 -0.34 0.00 0.00 43.02 40.39 1xn6 s PHE 97 CO 0.08 -0.53 -0.06 0.99 -1.46 0.00 0.00 175.22 174.24 1xn6 s THR 98 N 1.51 1.71 -0.10 0.12 2.01 -1.10 0.18 115.64 119.97 1xn6 s THR 98 Ca 0.04 -1.38 -0.19 0.00 0.31 0.00 0.00 61.69 60.47 1xn6 s THR 98 Cb -0.16 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1xn6 s THR 98 CO 0.01 -0.12 0.50 -0.22 -0.69 0.00 0.00 174.62 174.10 1xn6 s LEU 99 N 1.30 4.30 -0.13 4.42 2.96 -1.00 -0.47 118.68 130.06 1xn6 s LEU 99 Ca -0.05 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1xn6 s LEU 99 Cb -0.19 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.78 1xn6 s LEU 99 CO -0.06 0.02 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.24 1xn6 s ILE 100 N 0.49 1.31 -0.20 6.68 1.09 0.63 -1.19 121.20 130.01 1xn6 s ILE 100 Ca 0.27 -0.47 0.01 0.00 -1.10 0.00 0.00 60.65 59.36 1xn6 s ILE 100 Cb -0.16 -1.27 0.04 0.00 -1.06 0.00 0.00 42.46 40.01 1xn6 s ILE 100 CO 0.12 0.41 -0.15 -2.28 -0.10 0.00 0.00 174.94 172.94 1xn6 s HIS 101 N 1.56 2.73 0.00 3.97 5.65 -1.01 -0.74 115.29 127.44 1xn6 s HIS 101 Ca 0.04 -1.74 0.00 0.00 0.25 0.00 0.00 55.06 53.61 1xn6 s HIS 101 Cb -0.13 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.46 1xn6 s HIS 101 CO -0.09 -0.79 0.00 0.41 -0.65 0.00 0.00 174.74 173.62 1xn6 n GLY 102 N 4.61 5.34 0.00 1.59 0.00 0.25 -2.03 105.19 114.95 1xn6 n GLY 102 Ca -0.17 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 0.13 1.55 2.97 -0.02 0.00 -1.26 0.10 105.19 108.65 1xn6 n GLY 103 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.70 0.10 1.61 7.02 -1.26 -4.90 117.44 116.31 1xn6 n TRP 104 Ca 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 57.50 55.68 1xn6 n TRP 104 Cb 0.00 -1.08 0.00 0.00 -2.42 0.00 0.00 31.31 27.81 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 -5.03 0.00 -3.91 -0.99 5.02 -1.26 -4.82 118.16 107.17 1xn6 n LYS 105 Ca 0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.31 1xn6 n LYS 105 Cb 0.53 -0.16 -0.11 0.00 -0.02 0.00 0.00 35.03 35.27 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 -1.88 0.09 0.05 2.13 3.76 -1.26 -2.83 115.29 115.35 1xn6 s HIS 106 Ca 0.00 -0.20 -0.17 0.00 -0.15 0.00 0.00 55.06 54.55 1xn6 s HIS 106 Cb 0.00 -0.08 -0.21 0.00 1.11 0.00 0.00 32.58 33.40 1xn6 s HIS 106 CO 0.00 -0.18 1.19 -1.00 -0.85 0.00 0.00 174.74 173.90 1xn6 h PRO 107 N 4.91 0.58 -0.70 8.40 0.13 -1.96 -3.14 132.00 140.23 1xn6 h PRO 107 Ca -0.30 -0.56 0.16 0.00 -0.87 0.00 0.00 66.00 64.43 1xn6 h PRO 107 Cb 1.20 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 1xn6 h PRO 107 CO 0.42 1.18 0.48 -0.44 -0.23 0.00 0.00 178.00 179.41 1xn6 h ASP 108 N 0.19 0.27 -3.28 1.44 5.19 -2.02 -3.40 116.42 114.80 1xn6 h ASP 108 Ca -0.08 0.02 -0.56 0.00 -0.62 0.00 0.00 57.03 55.78 1xn6 h ASP 108 Cb 1.41 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.84 1xn6 h ASP 108 CO 0.15 0.14 -0.20 -1.83 -3.12 0.00 0.00 179.24 174.37 1xn6 s GLU 109 N -5.28 3.74 0.17 3.56 -1.05 -1.19 -5.08 118.70 113.58 1xn6 s GLU 109 Ca -0.07 0.14 0.06 0.00 -0.15 0.00 0.00 54.97 54.95 1xn6 s GLU 109 Cb 0.21 -2.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.07 1xn6 s GLU 109 CO 0.76 0.42 0.05 0.42 0.95 0.00 0.00 175.26 177.85 1xn6 s ILE 110 N -1.68 4.01 0.52 1.83 -1.09 -1.26 -4.59 121.20 118.94 1xn6 s ILE 110 Ca 0.42 -1.31 -0.10 0.00 -2.23 0.00 0.00 60.65 57.44 1xn6 s ILE 110 Cb -0.12 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 1xn6 s ILE 110 CO 0.22 -0.12 0.89 -0.76 -1.23 0.00 0.00 174.94 173.94 1xn6 s LEU 111 N -3.03 3.53 -0.08 2.97 1.02 -1.26 -4.95 118.68 116.89 1xn6 s LEU 111 Ca 0.29 1.21 -0.23 0.00 0.02 0.00 0.00 54.13 55.42 1xn6 s LEU 111 Cb -0.09 -4.18 -0.19 0.00 0.02 0.00 0.00 46.19 41.75 1xn6 s LEU 111 CO 0.20 -0.64 0.86 1.55 0.02 0.00 0.00 176.35 178.35 1xn6 h PRO 112 N 0.33 -0.08 0.00 1.29 0.13 -1.95 -2.80 132.00 128.91 1xn6 h PRO 112 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xn6 h PRO 112 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xn6 h PRO 112 CO 0.62 0.52 0.00 1.63 -0.23 0.00 0.00 178.00 180.54 1xn6 n LYS 113 N -4.79 0.00 -0.33 0.86 4.76 -1.26 -4.28 118.16 113.11 1xn6 n LYS 113 Ca -0.08 0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 1xn6 n LYS 113 Cb 0.31 -0.73 -0.08 0.00 -1.84 0.00 0.00 35.03 32.69 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xn6 n ALA 114 N -0.87 -0.50 -0.58 7.82 0.00 -1.26 -4.91 120.51 120.21 1xn6 n ALA 114 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 53.44 54.17 1xn6 n ALA 114 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -4.76 -3.46 -0.70 0.00 2.85 -1.06 -4.98 115.26 103.14 1xn6 n ASN 115 Ca 0.02 0.38 0.09 0.00 -0.11 0.00 0.00 54.58 54.95 1xn6 n ASN 115 Cb 0.20 -1.84 -0.05 0.00 1.24 0.00 0.00 39.78 39.33 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 n ALA 116 N -2.61 -1.85 -1.63 5.20 0.00 -1.26 -4.71 120.51 113.65 1xn6 n ALA 116 Ca -0.01 0.46 -0.50 0.00 0.00 0.00 0.00 53.44 53.38 1xn6 n ALA 116 Cb 0.27 -0.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 -3.15 1.51 -0.25 0.00 5.02 -1.26 -4.43 118.16 115.60 1xn6 n LYS 117 Ca -0.05 0.55 -0.07 0.00 -2.02 0.00 0.00 58.31 56.72 1xn6 n LYS 117 Cb 0.33 -2.24 0.06 0.00 -0.02 0.00 0.00 35.03 33.16 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 5.44 1.07 -0.75 4.39 0.02 -1.81 -2.56 113.55 119.35 1xn6 h SER 118 Ca -0.47 -0.23 0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1xn6 h SER 118 Cb 1.31 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 1xn6 h SER 118 CO 0.84 1.02 0.38 0.77 -1.14 0.00 0.00 176.83 178.70 1xn6 h SER 119 N 1.07 0.50 -0.39 3.07 4.64 -1.88 1.49 113.55 122.06 1xn6 h SER 119 Ca 0.22 0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1xn6 h SER 119 Cb 0.37 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1xn6 h SER 119 CO 0.00 0.28 0.22 0.40 -0.87 0.00 0.00 176.83 176.86 1xn6 h ILE 120 N 0.63 1.04 -0.42 0.95 2.04 -1.84 0.42 117.51 120.33 1xn6 h ILE 120 Ca 0.37 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.93 1xn6 h ILE 120 Cb 0.41 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1xn6 h ILE 120 CO -0.28 0.08 -0.31 0.40 0.00 0.00 0.00 178.15 178.05 1xn6 h ILE 121 N 0.46 1.27 -0.46 -0.67 1.08 -0.86 0.16 117.51 118.48 1xn6 h ILE 121 Ca 0.15 -1.47 0.07 0.00 -0.39 0.00 0.00 64.86 63.22 1xn6 h ILE 121 Cb 0.01 1.26 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 1xn6 h ILE 121 CO -0.07 0.50 0.12 0.03 -0.69 0.00 0.00 178.15 178.03 1xn6 h ARG 122 N 0.79 0.25 -0.03 2.37 3.08 0.27 1.36 114.38 122.48 1xn6 h ARG 122 Ca 0.08 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1xn6 h ARG 122 Cb 0.89 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1xn6 h ARG 122 CO 0.08 0.17 -0.08 0.22 -1.07 0.00 0.00 179.97 179.29 1xn6 h ASP 123 N 0.26 0.12 -0.23 7.04 1.82 -0.82 0.29 116.42 124.90 1xn6 h ASP 123 Ca 0.23 -0.60 0.05 0.00 -0.39 0.00 0.00 57.03 56.32 1xn6 h ASP 123 Cb 0.27 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 1xn6 h ASP 123 CO -0.28 0.70 -0.11 0.03 -1.61 0.00 0.00 179.24 177.97 1xn6 h ARG 124 N -0.45 -0.08 -0.19 0.28 3.08 -0.25 0.17 114.38 116.94 1xn6 h ARG 124 Ca -0.00 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1xn6 h ARG 124 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1xn6 h ARG 124 CO 0.02 -0.06 -0.45 1.98 -1.07 0.00 0.00 179.97 180.40 1xn6 h MET 125 N -0.09 0.46 0.31 0.04 4.05 0.18 -2.84 114.93 117.03 1xn6 h MET 125 Ca 0.13 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 1xn6 h MET 125 Cb 0.28 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1xn6 h MET 125 CO -0.29 0.82 -0.20 1.03 0.23 0.00 0.00 176.91 178.50 1xn6 h SER 126 N 0.37 -0.50 0.14 1.39 0.87 0.55 0.18 113.55 116.54 1xn6 h SER 126 Ca 0.03 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1xn6 h SER 126 Cb 0.93 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 1xn6 h SER 126 CO 0.08 -0.32 -0.39 1.23 -0.53 0.00 0.00 176.83 176.90 1xn6 h GLY 127 N -0.49 -0.79 0.17 5.77 0.00 -0.68 0.62 103.07 107.67 1xn6 h GLY 127 Ca -0.03 0.47 0.18 0.00 0.00 0.00 0.00 47.33 47.95 1xn6 h GLY 127 CO 0.02 -0.27 0.59 -1.33 0.00 0.00 0.00 176.54 175.55 1xn6 h GLY 128 N -0.64 1.72 0.99 4.60 0.00 -1.40 0.41 103.07 108.74 1xn6 h GLY 128 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1xn6 h GLY 128 CO -0.22 -0.04 -0.14 1.49 0.00 0.00 0.00 176.54 177.63 1xn6 h TRP 129 N 0.77 0.90 -0.37 5.60 -0.00 0.05 1.03 115.95 123.92 1xn6 h TRP 129 Ca 0.55 -0.21 0.03 0.00 -0.00 0.00 0.00 58.89 59.26 1xn6 h TRP 129 Cb 0.82 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 29.74 1xn6 h TRP 129 CO -0.02 0.94 0.18 0.28 -0.00 0.00 0.00 178.44 179.82 1xn6 h VAL 130 N 0.59 0.97 0.13 1.49 2.07 0.34 1.43 116.25 123.27 1xn6 h VAL 130 Ca 0.09 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1xn6 h VAL 130 Cb 0.68 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xn6 h VAL 130 CO 0.05 0.07 -0.06 0.00 0.02 0.00 0.00 177.57 177.64 1xn6 h ALA 131 N 1.20 -0.18 -0.76 1.67 0.00 -0.19 -1.25 119.26 119.76 1xn6 h ALA 131 Ca 0.16 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1xn6 h ALA 131 Cb 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xn6 h ALA 131 CO -0.12 -0.34 0.50 0.82 0.00 0.00 0.00 179.25 180.12 1xn6 h ILE 132 N -0.70 0.82 -0.11 0.00 2.04 0.13 1.34 117.51 121.03 1xn6 h ILE 132 Ca -0.02 -0.16 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1xn6 h ILE 132 Cb 0.52 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1xn6 h ILE 132 CO 0.03 0.09 -0.52 0.58 0.00 0.00 0.00 178.15 178.33 1xn6 h VAL 133 N 0.47 1.35 -0.93 1.67 2.07 0.21 -1.85 116.25 119.24 1xn6 h VAL 133 Ca 0.37 -1.77 -0.58 0.00 0.82 0.00 0.00 66.70 65.54 1xn6 h VAL 133 Cb 0.77 1.83 -0.41 0.00 -1.52 0.00 0.00 31.29 31.96 1xn6 h VAL 133 CO -0.13 0.53 -0.53 0.59 0.02 0.00 0.00 177.57 178.06 1xn6 n ASN 134 N -3.95 5.34 0.11 0.57 3.02 0.15 -2.55 115.26 117.96 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 0.56 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.70 0.00 -0.02 3.52 -0.58 0.41 -4.88 120.64 118.39 1xn6 n GLU 135 Ca 0.46 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.16 1xn6 n GLU 135 Cb 0.86 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.72 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 -3.21 0.22 -0.18 3.49 5.02 -0.87 -4.13 118.16 118.51 1xn6 n LYS 136 Ca 0.00 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.33 1xn6 n LYS 136 Cb 0.00 -0.83 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 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 -3.61 -0.46 -0.15 -0.35 -0.00 -0.75 0.21 117.00 111.89 1xn6 n LEU 137 Ca -0.06 1.13 -0.03 0.00 -0.00 0.00 0.00 56.01 57.06 1xn6 n LEU 137 Cb 0.22 -0.28 0.04 0.00 -0.00 0.00 0.00 43.42 43.40 1xn6 n LEU 137 CO 0.09 -0.81 0.80 0.50 -0.00 0.00 0.00 177.39 177.97 1xn6 h LYS 138 N 0.00 0.05 -0.91 1.96 3.64 -1.71 0.28 116.57 119.89 1xn6 h LYS 138 Ca 0.07 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1xn6 h LYS 138 Cb 0.18 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1xn6 h LYS 138 CO -0.40 0.03 0.54 0.87 -2.27 0.00 0.00 179.45 178.21 1xn6 h LYS 139 N 0.05 0.83 0.49 1.90 1.57 0.93 1.50 116.57 123.85 1xn6 h LYS 139 Ca 0.24 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1xn6 h LYS 139 Cb 0.37 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xn6 h LYS 139 CO -0.46 0.55 -0.26 0.28 -0.57 0.00 0.00 179.45 179.00 1xn6 h VAL 140 N 0.86 0.48 0.68 0.50 2.07 0.59 1.52 116.25 122.94 1xn6 h VAL 140 Ca 0.45 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.94 1xn6 h VAL 140 Cb 0.46 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1xn6 h VAL 140 CO -0.27 0.00 -0.33 0.58 0.02 0.00 0.00 177.57 177.57 1xn6 h VAL 141 N -0.69 0.27 -0.73 2.57 2.07 0.01 -2.94 116.25 116.82 1xn6 h VAL 141 Ca -0.06 -0.15 0.13 0.00 0.82 0.00 0.00 66.70 67.44 1xn6 h VAL 141 Cb 0.54 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1xn6 h VAL 141 CO 0.09 0.02 0.29 -0.08 0.02 0.00 0.00 177.57 177.91 1xn6 h GLU 142 N -1.02 0.43 0.00 1.57 4.81 0.21 -3.48 114.58 117.09 1xn6 h GLU 142 Ca -0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1xn6 h GLU 142 Cb 0.73 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1xn6 h GLU 142 CO 0.15 0.28 0.00 0.41 -0.73 0.00 0.00 179.01 179.13