#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 s GLU 2 N 0.00 1.33 0.30 0.03 2.02 -1.26 -5.10 118.70 116.02 1xn6 s GLU 2 Ca 0.00 -0.12 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 1xn6 s GLU 2 Cb 0.00 -1.90 0.06 0.00 0.10 0.00 0.00 34.13 32.39 1xn6 s GLU 2 CO 0.00 -1.99 0.75 1.04 0.02 0.00 0.00 175.26 175.08 1xn6 n GLN 3 N -3.54 0.89 -3.17 1.61 6.02 -1.26 -5.16 117.38 112.76 1xn6 n GLN 3 Ca 0.11 -1.78 -0.35 0.00 -0.01 0.00 0.00 57.00 54.97 1xn6 n GLN 3 Cb 0.60 2.26 -0.06 0.00 1.02 0.00 0.00 30.24 34.07 1xn6 n GLN 3 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xn6 s GLN 4 N -2.07 4.14 0.00 -1.09 -0.21 -1.26 -5.05 119.66 114.11 1xn6 s GLN 4 Ca 0.16 0.73 0.00 0.00 0.02 0.00 0.00 55.36 56.27 1xn6 s GLN 4 Cb -0.04 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1xn6 s GLN 4 CO 0.09 0.37 0.00 0.09 -2.12 0.00 0.00 175.29 173.72 1xn6 n ASN 5 N 0.54 0.00 -4.70 5.90 3.02 -1.26 -5.14 115.26 113.62 1xn6 n ASN 5 Ca -0.02 -0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 53.90 1xn6 n ASN 5 Cb 0.52 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1xn6 n ASN 5 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xn6 n THR 6 N 0.00 3.44 -1.50 3.41 -2.24 -1.26 -4.80 114.28 111.33 1xn6 n THR 6 Ca 0.00 -0.50 -0.58 0.00 -2.27 0.00 0.00 64.05 60.70 1xn6 n THR 6 Cb 0.00 -1.51 -0.08 0.00 -2.10 0.00 0.00 70.33 66.65 1xn6 n THR 6 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xn6 n LEU 7 N -0.59 0.11 -4.59 3.22 4.77 -0.83 -4.88 117.00 114.20 1xn6 n LEU 7 Ca 0.10 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.95 1xn6 n LEU 7 Cb 0.44 -0.95 0.21 0.00 -2.33 0.00 0.00 43.42 40.79 1xn6 n LEU 7 CO 0.54 -1.87 0.59 0.20 -1.33 0.00 0.00 177.39 175.52 1xn6 s ASN 8 N 0.00 1.88 0.10 -1.43 0.01 -1.26 -4.89 114.94 109.35 1xn6 s ASN 8 Ca 0.89 1.36 -0.10 0.00 -0.71 0.00 0.00 52.86 54.31 1xn6 s ASN 8 Cb -1.22 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 38.30 1xn6 s ASN 8 CO 0.56 -3.62 0.42 -1.81 -1.51 0.00 0.00 177.10 171.13 1xn6 s ASP 9 N -3.02 6.63 -1.13 -1.22 1.11 -1.26 -4.89 116.67 112.89 1xn6 s ASP 9 Ca 0.67 0.79 -0.21 0.00 0.18 0.00 0.00 52.55 53.98 1xn6 s ASP 9 Cb -0.22 -2.18 0.02 0.00 1.07 0.00 0.00 42.92 41.61 1xn6 s ASP 9 CO 0.61 0.14 1.72 -0.63 1.18 0.00 0.00 175.17 178.19 1xn6 s ILE 10 N -1.46 3.84 0.08 0.77 1.01 -0.77 -4.85 121.20 119.83 1xn6 s ILE 10 Ca 0.35 -1.13 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 1xn6 s ILE 10 Cb -0.14 -4.85 -0.06 0.00 0.01 0.00 0.00 42.46 37.42 1xn6 s ILE 10 CO 0.19 -1.63 0.74 -0.75 0.00 0.00 0.00 174.94 173.48 1xn6 s LYS 11 N 5.33 4.48 -0.51 2.79 2.20 -1.23 -2.43 119.74 130.36 1xn6 s LYS 11 Ca 0.57 1.04 0.04 0.00 -0.36 0.00 0.00 55.97 57.26 1xn6 s LYS 11 Cb 0.00 -3.32 0.17 0.00 -1.51 0.00 0.00 37.83 33.17 1xn6 s LYS 11 CO 0.02 0.41 0.39 1.04 -0.36 0.00 0.00 175.35 176.86 1xn6 n GLN 12 N 2.33 0.73 -2.73 4.03 6.02 0.23 -4.90 117.38 123.09 1xn6 n GLN 12 Ca -0.04 -3.61 -0.43 0.00 -0.01 0.00 0.00 57.00 52.91 1xn6 n GLN 12 Cb 0.50 -1.87 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1xn6 n GLN 12 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xn6 s THR 13 N -0.46 4.70 0.00 5.09 2.01 -1.25 -2.58 115.64 123.16 1xn6 s THR 13 Ca 0.30 1.82 -0.16 0.00 0.31 0.00 0.00 61.69 63.97 1xn6 s THR 13 Cb 0.01 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1xn6 s THR 13 CO -0.19 -0.20 0.35 -0.51 -0.69 0.00 0.00 174.62 173.38 1xn6 s ILE 14 N 3.16 0.06 -0.25 1.82 2.07 0.74 -5.00 121.20 123.79 1xn6 s ILE 14 Ca 0.41 -0.49 -0.08 0.00 -1.41 0.00 0.00 60.65 59.08 1xn6 s ILE 14 Cb -0.15 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1xn6 s ILE 14 CO 0.08 -0.27 0.09 -0.69 -1.91 0.00 0.00 174.94 172.24 1xn6 s VAL 15 N -1.74 4.58 0.19 4.00 1.01 -1.26 -0.04 120.40 127.15 1xn6 s VAL 15 Ca -0.10 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1xn6 s VAL 15 Cb -0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1xn6 s VAL 15 CO 0.02 0.34 0.09 -0.36 0.00 0.00 0.00 175.10 175.19 1xn6 s PHE 16 N 1.46 3.01 -1.28 5.22 0.40 -1.08 -5.00 117.98 120.70 1xn6 s PHE 16 Ca 0.06 -0.09 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 1xn6 s PHE 16 Cb -0.15 -1.42 0.13 0.00 0.51 0.00 0.00 43.02 42.09 1xn6 s PHE 16 CO 0.05 0.53 1.71 -1.71 0.70 0.00 0.00 175.22 176.50 1xn6 n ASN 17 N -0.50 4.96 -3.52 1.36 2.85 -1.26 -3.03 115.26 116.11 1xn6 n ASN 17 Ca -0.08 -2.98 -0.04 0.00 -0.11 0.00 0.00 54.58 51.37 1xn6 n ASN 17 Cb 0.56 -1.60 0.00 0.00 1.24 0.00 0.00 39.78 39.98 1xn6 n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xn6 s ALA 18 N 2.12 -1.58 0.27 5.20 0.00 0.94 -4.79 121.76 123.92 1xn6 s ALA 18 Ca 0.45 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1xn6 s ALA 18 Cb 0.04 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1xn6 s ALA 18 CO 0.01 -1.05 0.40 -1.12 0.00 0.00 0.00 175.76 174.00 1xn6 s SER 19 N -3.16 6.25 0.23 0.00 0.01 -1.25 -1.62 113.70 114.16 1xn6 s SER 19 Ca 0.17 0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.44 1xn6 s SER 19 Cb -0.02 -1.77 0.33 0.00 0.21 0.00 0.00 66.02 64.76 1xn6 s SER 19 CO 0.04 -0.16 1.80 -0.29 0.41 0.00 0.00 173.24 175.04 1xn6 h ILE 20 N 1.06 0.92 -0.17 1.44 2.10 -1.87 0.99 117.51 121.98 1xn6 h ILE 20 Ca -0.51 -0.24 -0.06 0.00 1.08 0.00 0.00 64.86 65.13 1xn6 h ILE 20 Cb 1.23 0.14 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1xn6 h ILE 20 CO 0.60 0.13 -0.16 1.56 -1.08 0.00 0.00 178.15 179.20 1xn6 h GLN 21 N 0.71 0.27 0.12 2.19 1.08 -1.95 0.29 115.11 117.82 1xn6 h GLN 21 Ca 0.35 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 1xn6 h GLN 21 Cb 0.30 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1xn6 h GLN 21 CO -0.23 0.44 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.81 1xn6 h LYS 22 N 0.26 -0.15 -0.72 1.46 3.64 -1.21 -1.81 116.57 118.04 1xn6 h LYS 22 Ca 0.05 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1xn6 h LYS 22 Cb 0.44 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 1xn6 h LYS 22 CO 0.03 0.28 0.48 0.28 -2.27 0.00 0.00 179.45 178.24 1xn6 h VAL 23 N -0.93 0.91 -0.35 2.00 2.07 0.96 0.99 116.25 121.89 1xn6 h VAL 23 Ca -0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 1xn6 h VAL 23 Cb 0.50 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1xn6 h VAL 23 CO 0.03 0.11 0.04 -0.25 0.02 0.00 0.00 177.57 177.51 1xn6 h TRP 24 N 0.59 0.64 -0.44 1.57 2.91 -0.46 -2.00 115.95 118.75 1xn6 h TRP 24 Ca 0.34 -0.10 0.11 0.00 1.13 0.00 0.00 58.89 60.37 1xn6 h TRP 24 Cb 0.52 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.98 1xn6 h TRP 24 CO -0.00 0.67 0.31 1.03 -1.03 0.00 0.00 178.44 179.42 1xn6 h SER 25 N 0.42 0.08 1.27 2.65 0.87 0.07 1.00 113.55 119.91 1xn6 h SER 25 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1xn6 h SER 25 Cb 0.39 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xn6 h SER 25 CO 0.01 0.05 0.00 0.58 -0.53 0.00 0.00 176.83 176.94 1xn6 h VAL 26 N 0.09 0.00 -1.47 2.23 2.07 -0.57 -3.24 116.25 115.36 1xn6 h VAL 26 Ca 0.21 -0.43 -0.48 0.00 0.82 0.00 0.00 66.70 66.82 1xn6 h VAL 26 Cb 0.72 1.35 -0.41 0.00 -1.52 0.00 0.00 31.29 31.43 1xn6 h VAL 26 CO -0.02 0.00 -0.99 1.33 0.02 0.00 0.00 177.57 177.91 1xn6 n VAL 27 N -2.33 1.49 -1.92 2.57 0.24 0.33 -3.97 118.33 114.75 1xn6 n VAL 27 Ca 0.04 -4.18 -0.04 0.00 -2.04 0.00 0.00 64.34 58.11 1xn6 n VAL 27 Cb 0.37 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.16 -0.71 -4.09 -1.34 3.41 -0.42 -4.89 113.62 105.42 1xn6 n SER 28 Ca 0.24 -1.41 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 1xn6 n SER 28 Cb 0.69 0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 64.78 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 0.01 0.13 -0.12 6.66 -4.23 -1.26 -4.96 115.64 111.87 1xn6 s THR 29 Ca 0.01 -1.76 -0.24 0.00 -1.18 0.00 0.00 61.69 58.52 1xn6 s THR 29 Cb 0.03 -1.85 -0.21 0.00 1.34 0.00 0.00 72.50 71.81 1xn6 s THR 29 CO -0.01 -0.57 0.72 0.00 -0.54 0.00 0.00 174.62 174.22 1xn6 h ALA 30 N 2.87 -0.02 0.23 3.99 0.00 -1.95 -3.00 119.26 121.39 1xn6 h ALA 30 Ca -0.34 -0.39 -0.34 0.00 0.00 0.00 0.00 54.91 53.84 1xn6 h ALA 30 Cb 1.19 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.02 1xn6 h ALA 30 CO 0.59 -0.05 -1.53 1.49 0.00 0.00 0.00 179.25 179.75 1xn6 h GLU 31 N -0.94 0.49 -0.84 0.00 4.81 -1.97 -2.40 114.58 113.73 1xn6 h GLU 31 Ca -0.00 -0.84 0.12 0.00 -0.13 0.00 0.00 59.36 58.51 1xn6 h GLU 31 Cb 0.78 0.31 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 1xn6 h GLU 31 CO 0.00 1.40 0.46 0.78 -0.73 0.00 0.00 179.01 180.92 1xn6 h GLY 32 N 0.41 1.33 0.23 1.92 0.00 -1.90 0.64 103.07 105.70 1xn6 h GLY 32 Ca -0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1xn6 h GLY 32 CO 0.25 0.05 -0.04 -2.22 0.00 0.00 0.00 176.54 174.59 1xn6 h ILE 33 N 0.72 1.10 -0.02 2.60 2.04 -1.62 -3.09 117.51 119.23 1xn6 h ILE 33 Ca 0.43 -1.48 0.01 0.00 1.00 0.00 0.00 64.86 64.81 1xn6 h ILE 33 Cb 0.50 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1xn6 h ILE 33 CO -0.30 0.32 0.30 0.00 0.00 0.00 0.00 178.15 178.47 1xn6 h ALA 34 N -0.20 1.34 -0.61 1.87 0.00 -1.03 0.13 119.26 120.75 1xn6 h ALA 34 Ca -0.01 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1xn6 h ALA 34 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xn6 h ALA 34 CO 0.02 -0.31 0.61 0.77 0.00 0.00 0.00 179.25 180.33 1xn6 h SER 35 N 0.00 0.00 0.00 0.00 0.02 0.38 -3.31 113.55 110.64 1xn6 h SER 35 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xn6 h SER 35 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1xn6 h SER 35 CO -0.00 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.02 1xn6 n TRP 36 N -3.75 -0.73 0.00 3.45 4.27 0.29 -4.96 117.44 116.01 1xn6 n TRP 36 Ca 0.12 0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1xn6 n TRP 36 Cb 0.83 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 31.13 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 -2.93 0.00 -3.62 -2.67 7.35 -0.25 -4.93 117.46 110.42 1xn6 n PHE 37 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 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 -0.34 0.39 -0.22 -4.13 -1.94 -1.25 -4.98 119.30 106.83 1xn6 s MET 38 Ca 0.00 -0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 53.48 1xn6 s MET 38 Cb 0.00 0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.97 1xn6 s MET 38 CO 0.00 -0.18 1.31 -1.25 -0.01 0.00 0.00 175.02 174.89 1xn6 s PRO 39 N -2.43 4.06 0.00 2.03 0.04 -1.26 -3.81 135.00 133.64 1xn6 s PRO 39 Ca 0.14 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1xn6 s PRO 39 Cb 0.04 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1xn6 s PRO 39 CO -0.04 -0.93 0.00 0.27 0.04 0.00 0.00 177.00 176.34 1xn6 n ASN 40 N 7.19 0.00 -3.28 6.66 0.23 -1.26 -1.25 115.26 123.55 1xn6 n ASN 40 Ca 0.15 -0.36 -0.25 0.00 -0.53 0.00 0.00 54.58 53.59 1xn6 n ASN 40 Cb 0.46 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.08 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xn6 n ASP 41 N -0.43 1.74 -4.23 0.53 9.92 -1.20 -4.91 116.55 117.96 1xn6 n ASP 41 Ca 0.00 -3.03 -0.34 0.00 -0.53 0.00 0.00 54.79 50.89 1xn6 n ASP 41 Cb 0.00 -0.65 0.11 0.00 -0.64 0.00 0.00 41.12 39.93 1xn6 n ASP 41 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1xn6 n PHE 42 N 1.13 -2.24 -3.65 1.24 7.35 -1.26 -4.77 117.46 115.26 1xn6 n PHE 42 Ca 0.25 0.21 -0.04 0.00 -0.76 0.00 0.00 57.45 57.11 1xn6 n PHE 42 Cb 0.48 -1.59 -0.06 0.00 0.35 0.00 0.00 39.48 38.66 1xn6 n PHE 42 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1xn6 s VAL 43 N -2.22 -0.77 -1.28 -2.13 0.11 -1.26 -4.83 120.40 108.01 1xn6 s VAL 43 Ca 0.50 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 59.45 1xn6 s VAL 43 Cb -0.14 -0.92 0.13 0.00 -1.53 0.00 0.00 36.38 33.93 1xn6 s VAL 43 CO 0.70 0.02 1.72 -0.11 -3.33 0.00 0.00 175.10 174.10 1xn6 n LEU 44 N 5.26 5.75 -3.73 2.54 7.94 -1.26 -4.88 117.00 128.62 1xn6 n LEU 44 Ca -0.13 -4.35 -0.12 0.00 -1.11 0.00 0.00 56.01 50.30 1xn6 n LEU 44 Cb 0.51 -1.62 -0.11 0.00 0.53 0.00 0.00 43.42 42.73 1xn6 n LEU 44 CO -0.03 0.82 0.01 -1.61 -1.11 0.00 0.00 177.39 175.48 1xn6 s GLU 45 N 2.05 0.37 0.03 1.96 2.02 -1.26 -5.10 118.70 118.76 1xn6 s GLU 45 Ca 0.45 0.61 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 1xn6 s GLU 45 Cb 0.04 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.29 1xn6 s GLU 45 CO 0.01 -0.11 1.23 0.08 0.02 0.00 0.00 175.26 176.49 1xn6 s VAL 46 N 0.80 4.02 0.00 2.63 1.01 -1.26 -2.26 120.40 125.34 1xn6 s VAL 46 Ca -0.05 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1xn6 s VAL 46 Cb -0.06 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1xn6 s VAL 46 CO -0.06 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1xn6 n GLY 47 N 3.32 0.48 3.70 4.51 0.00 -1.22 -5.00 105.19 110.97 1xn6 n GLY 47 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.05 3.45 0.41 1.61 5.04 -0.96 -4.90 115.29 117.89 1xn6 s HIS 48 Ca 0.00 0.86 0.08 0.00 -1.54 0.00 0.00 55.06 54.46 1xn6 s HIS 48 Cb 0.00 -2.62 -0.02 0.00 0.04 0.00 0.00 32.58 29.98 1xn6 s HIS 48 CO 0.00 0.04 0.38 -1.21 -2.34 0.00 0.00 174.74 171.61 1xn6 s GLU 49 N 1.08 2.58 0.12 2.88 2.02 -1.26 -2.64 118.70 123.48 1xn6 s GLU 49 Ca 0.26 -1.49 -0.15 0.00 0.02 0.00 0.00 54.97 53.61 1xn6 s GLU 49 Cb -0.15 -2.41 0.05 0.00 0.10 0.00 0.00 34.13 31.71 1xn6 s GLU 49 CO 0.10 -0.16 0.71 1.97 0.02 0.00 0.00 175.26 177.90 1xn6 n PHE 50 N -1.55 -1.09 -4.86 1.61 -1.74 -0.84 -5.01 117.46 104.00 1xn6 n PHE 50 Ca 0.03 -0.86 -0.31 0.00 -0.56 0.00 0.00 57.45 55.76 1xn6 n PHE 50 Cb 0.61 0.42 -0.14 0.00 1.52 0.00 0.00 39.48 41.89 1xn6 n PHE 50 CO 0.00 0.00 0.00 -1.58 -0.56 0.00 0.00 176.76 174.62 1xn6 s HIS 51 N -3.33 2.42 0.24 2.97 2.46 -1.26 -1.30 115.29 117.49 1xn6 s HIS 51 Ca 0.16 -0.35 0.02 0.00 0.47 0.00 0.00 55.06 55.35 1xn6 s HIS 51 Cb -0.02 -1.44 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 1xn6 s HIS 51 CO 0.04 0.16 0.07 0.14 -2.47 0.00 0.00 174.74 172.67 1xn6 s VAL 52 N -0.83 0.66 -0.74 0.89 -7.23 -1.16 -3.28 120.40 108.72 1xn6 s VAL 52 Ca 0.13 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 1xn6 s VAL 52 Cb -0.10 -2.51 0.15 0.00 0.56 0.00 0.00 36.38 34.47 1xn6 s VAL 52 CO 0.03 -0.13 0.81 -1.10 -0.31 0.00 0.00 175.10 174.40 1xn6 s GLN 53 N -3.99 3.34 0.44 4.82 -1.52 -0.38 -3.51 119.66 118.87 1xn6 s GLN 53 Ca 0.34 -1.79 -0.09 0.00 -1.95 0.00 0.00 55.36 51.87 1xn6 s GLN 53 Cb 0.07 -4.47 -0.05 0.00 -0.22 0.00 0.00 33.01 28.34 1xn6 s GLN 53 CO 0.11 -1.51 0.80 0.45 -0.25 0.00 0.00 175.29 174.89 1xn6 s SER 54 N 3.19 6.43 0.21 5.90 0.15 -1.04 -4.61 113.70 123.93 1xn6 s SER 54 Ca 0.18 1.10 0.08 0.00 0.70 0.00 0.00 55.95 58.01 1xn6 s SER 54 Cb -0.16 -2.31 0.14 0.00 -1.71 0.00 0.00 66.02 61.98 1xn6 s SER 54 CO -0.02 -0.49 1.48 1.55 1.20 0.00 0.00 173.24 176.97 1xn6 h PRO 55 N 0.85 0.04 -1.02 5.44 0.13 -1.99 -3.09 132.00 132.35 1xn6 h PRO 55 Ca -0.47 -0.04 -0.39 0.00 -0.87 0.00 0.00 66.00 64.23 1xn6 h PRO 55 Cb 1.19 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1xn6 h PRO 55 CO 0.63 0.78 0.50 1.19 -0.23 0.00 0.00 178.00 180.87 1xn6 n PHE 56 N -3.66 2.28 0.00 1.56 3.72 -1.26 -5.01 117.46 115.09 1xn6 n PHE 56 Ca -0.01 -1.58 0.00 0.00 -0.05 0.00 0.00 57.45 55.81 1xn6 n PHE 56 Cb 0.73 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 1xn6 n PHE 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn6 n GLY 57 N -0.68 -1.11 3.63 1.37 0.00 -1.17 -4.94 105.19 102.30 1xn6 n GLY 57 Ca 0.44 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.03 3.93 -0.10 1.61 0.04 -1.26 -2.51 135.00 136.68 1xn6 s PRO 58 Ca 0.00 1.33 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1xn6 s PRO 58 Cb 0.00 -3.89 0.03 0.00 0.04 0.00 0.00 34.50 30.68 1xn6 s PRO 58 CO 0.00 -1.11 -0.03 -1.12 0.04 0.00 0.00 177.00 174.78 1xn6 s SER 59 N 2.90 1.98 1.06 6.66 0.01 -1.23 -4.89 113.70 120.19 1xn6 s SER 59 Ca 0.58 -0.25 -0.08 0.00 1.31 0.00 0.00 55.95 57.50 1xn6 s SER 59 Cb -0.18 -0.64 0.12 0.00 0.21 0.00 0.00 66.02 65.53 1xn6 s SER 59 CO 0.23 -0.17 0.55 -0.81 0.41 0.00 0.00 173.24 173.45 1xn6 n PRO 60 N 5.04 -1.28 -3.84 12.44 -0.04 -1.26 -2.97 135.00 143.10 1xn6 n PRO 60 Ca -0.10 -0.86 -0.09 0.00 -0.04 0.00 0.00 63.50 62.41 1xn6 n PRO 60 Cb 0.50 -0.68 -0.07 0.00 -0.04 0.00 0.00 33.50 33.21 1xn6 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xn6 s LYS 62 N -3.88 0.06 0.22 0.00 2.20 -0.92 -1.98 119.74 115.44 1xn6 s LYS 62 Ca 0.08 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 1xn6 s LYS 62 Cb 0.04 -0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.04 1xn6 s LYS 62 CO -0.08 -0.26 1.26 0.08 -0.36 0.00 0.00 175.35 175.98 1xn6 s VAL 63 N 1.96 3.29 -0.25 4.02 1.01 -1.08 -0.07 120.40 129.27 1xn6 s VAL 63 Ca -0.01 1.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.93 1xn6 s VAL 63 Cb -0.12 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 1xn6 s VAL 63 CO -0.06 0.19 -0.31 0.18 0.00 0.00 0.00 175.10 175.10 1xn6 n LEU 64 N 2.24 1.94 -3.92 3.92 4.77 -0.52 -3.46 117.00 121.98 1xn6 n LEU 64 Ca 0.04 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1xn6 n LEU 64 Cb 0.43 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1xn6 n LEU 64 CO 0.57 0.33 -0.30 -0.70 -1.33 0.00 0.00 177.39 175.96 1xn6 s GLU 65 N -2.59 0.26 -0.16 3.23 2.56 -1.12 -4.71 118.70 116.17 1xn6 s GLU 65 Ca -0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 54.97 54.27 1xn6 s GLU 65 Cb 0.11 0.10 0.04 0.00 2.00 0.00 0.00 34.13 36.39 1xn6 s GLU 65 CO 0.48 -0.05 -0.03 0.42 -0.56 0.00 0.00 175.26 175.52 1xn6 s ILE 66 N -0.94 0.90 -0.42 -3.70 1.01 -1.26 -0.93 121.20 115.87 1xn6 s ILE 66 Ca -0.10 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1xn6 s ILE 66 Cb -0.06 -1.14 0.17 0.00 0.01 0.00 0.00 42.46 41.44 1xn6 s ILE 66 CO -0.00 0.09 0.41 -1.81 0.00 0.00 0.00 174.94 173.63 1xn6 s ASP 67 N 1.72 0.92 0.19 3.58 1.01 0.00 -5.00 116.67 119.09 1xn6 s ASP 67 Ca 0.01 -2.32 -0.16 0.00 0.71 0.00 0.00 52.55 50.79 1xn6 s ASP 67 Cb -0.15 0.30 0.17 0.00 1.01 0.00 0.00 42.92 44.25 1xn6 s ASP 67 CO -0.07 -0.18 1.63 -0.08 0.21 0.00 0.00 175.17 176.67 1xn6 h GLU 68 N 6.03 -0.05 -2.68 8.23 4.81 -1.98 1.39 114.58 130.34 1xn6 h GLU 68 Ca 0.15 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.09 1xn6 h GLU 68 Cb 1.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1xn6 h GLU 68 CO 0.24 -0.03 1.26 -0.35 -0.73 0.00 0.00 179.01 179.40 1xn6 n PRO 69 N -5.40 2.05 0.00 0.92 -0.04 -1.26 -3.98 135.00 127.29 1xn6 n PRO 69 Ca 0.05 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1xn6 n PRO 69 Cb 0.31 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 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 3.19 0.00 0.00 3.54 4.05 -0.73 -5.14 115.26 120.17 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 -4.11 1.20 1.44 0.47 -2.35 115.22 111.87 1xn6 n HIS 71 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1xn6 n HIS 71 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 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 1.09 0.02 2.39 2.34 -1.25 -0.82 118.68 122.45 1xn6 s LEU 72 Ca 0.00 -1.18 -0.06 0.00 0.06 0.00 0.00 54.13 52.95 1xn6 s LEU 72 Cb 0.00 0.76 -0.00 0.00 -0.56 0.00 0.00 46.19 46.39 1xn6 s LEU 72 CO 0.00 -0.88 0.12 -0.94 -1.06 0.00 0.00 176.35 173.59 1xn6 s SER 73 N -3.08 0.08 -0.12 1.48 1.04 -0.11 -3.43 113.70 109.58 1xn6 s SER 73 Ca 0.29 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 56.16 1xn6 s SER 73 Cb 0.05 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.43 1xn6 s SER 73 CO 0.07 -0.42 0.56 0.72 0.98 0.00 0.00 173.24 175.16 1xn6 s PHE 74 N -1.80 -0.55 0.30 5.02 -0.71 -0.98 -1.44 117.98 117.82 1xn6 s PHE 74 Ca -0.12 1.14 0.03 0.00 -1.04 0.00 0.00 56.93 56.94 1xn6 s PHE 74 Cb -0.06 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1xn6 s PHE 74 CO -0.01 -0.43 0.46 -1.54 -1.34 0.00 0.00 175.22 172.36 1xn6 s SER 75 N -0.57 6.29 -0.22 1.98 1.04 0.90 -1.71 113.70 121.42 1xn6 s SER 75 Ca -0.07 0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.57 1xn6 s SER 75 Cb -0.03 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 1xn6 s SER 75 CO 0.05 -0.19 -0.04 0.86 0.98 0.00 0.00 173.24 174.90 1xn6 s TRP 76 N -2.16 2.97 0.95 5.02 -0.11 0.30 -2.17 118.94 123.74 1xn6 s TRP 76 Ca 0.37 -0.84 -0.15 0.00 1.22 0.00 0.00 56.10 56.70 1xn6 s TRP 76 Cb -0.09 -2.10 0.19 0.00 -1.50 0.00 0.00 33.47 29.97 1xn6 s TRP 76 CO 0.33 -0.49 1.31 -0.51 -4.62 0.00 0.00 176.95 172.97 1xn6 s ASP 77 N 1.39 3.19 -0.75 5.86 1.11 0.33 -1.25 116.67 126.55 1xn6 s ASP 77 Ca 0.05 0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.94 1xn6 s ASP 77 Cb -0.14 -0.32 0.10 0.00 1.07 0.00 0.00 42.92 43.62 1xn6 s ASP 77 CO -0.02 -2.68 0.24 0.41 1.18 0.00 0.00 175.17 174.30 1xn6 n THR 78 N -3.72 0.00 0.20 -1.27 -1.04 -1.26 -4.17 114.28 103.01 1xn6 n THR 78 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1xn6 n THR 78 Cb 0.59 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.72 -3.36 -0.15 8.00 8.00 -1.25 -4.79 116.55 121.26 1xn6 n ASP 79 Ca 0.05 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1xn6 n ASP 79 Cb 0.44 3.21 0.00 0.00 -0.02 0.00 0.00 41.12 44.74 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 -1.27 0.88 3.19 0.44 0.00 -0.38 -4.79 105.19 103.26 1xn6 n GLY 80 Ca 0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.08 1.56 -0.04 1.61 0.51 -1.19 -4.32 118.94 114.99 1xn6 s TRP 81 Ca 0.00 -0.34 0.03 0.00 -2.12 0.00 0.00 56.10 53.66 1xn6 s TRP 81 Cb 0.00 -0.95 -0.03 0.00 -0.81 0.00 0.00 33.47 31.68 1xn6 s TRP 81 CO 0.00 0.05 -0.10 0.08 -0.51 0.00 0.00 176.95 176.46 1xn6 s VAL 82 N -0.71 3.40 -0.02 4.03 1.01 0.19 0.11 120.40 128.41 1xn6 s VAL 82 Ca 0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1xn6 s VAL 82 Cb -0.08 -2.39 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1xn6 s VAL 82 CO 0.01 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.95 1xn6 s VAL 83 N -0.82 0.24 -0.03 2.92 1.01 -0.69 0.35 120.40 123.38 1xn6 s VAL 83 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1xn6 s VAL 83 Cb -0.11 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.01 1xn6 s VAL 83 CO 0.02 0.13 0.33 -0.94 0.00 0.00 0.00 175.10 174.64 1xn6 s SER 84 N 0.61 -0.23 -0.18 3.32 1.04 0.15 -2.31 113.70 116.11 1xn6 s SER 84 Ca -0.06 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1xn6 s SER 84 Cb -0.09 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1xn6 s SER 84 CO -0.01 -0.41 -0.10 -0.36 0.98 0.00 0.00 173.24 173.34 1xn6 s PHE 85 N -1.14 2.16 0.35 5.02 0.08 -1.22 0.60 117.98 123.84 1xn6 s PHE 85 Ca -0.12 -1.35 -0.14 0.00 0.12 0.00 0.00 56.93 55.44 1xn6 s PHE 85 Cb -0.05 -1.54 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 1xn6 s PHE 85 CO 0.04 -0.69 0.77 -0.51 -0.10 0.00 0.00 175.22 174.73 1xn6 s ASP 86 N 1.48 6.72 -0.01 1.36 1.11 0.63 -3.91 116.67 124.07 1xn6 s ASP 86 Ca 0.01 1.28 0.05 0.00 0.18 0.00 0.00 52.55 54.07 1xn6 s ASP 86 Cb -0.15 -2.38 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1xn6 s ASP 86 CO -0.09 -0.27 -0.16 -0.76 1.18 0.00 0.00 175.17 175.07 1xn6 s LEU 87 N -3.23 2.05 -0.07 1.23 1.02 -0.99 -2.46 118.68 116.24 1xn6 s LEU 87 Ca 0.54 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 54.38 1xn6 s LEU 87 Cb -0.10 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.31 1xn6 s LEU 87 CO 0.21 0.18 -0.04 -0.75 0.02 0.00 0.00 176.35 175.97 1xn6 s LYS 88 N -0.47 0.93 -0.69 1.70 2.20 -0.88 -4.83 119.74 117.70 1xn6 s LYS 88 Ca 0.06 -0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.32 1xn6 s LYS 88 Cb -0.06 -1.04 0.03 0.00 -1.51 0.00 0.00 37.83 35.24 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 1.38 6.21 -0.19 1.43 2.15 -1.26 -1.32 116.67 125.07 1xn6 s ASP 89 Ca -0.03 -0.28 -0.19 0.00 0.43 0.00 0.00 52.55 52.48 1xn6 s ASP 89 Cb -0.13 -2.56 -0.21 0.00 -0.30 0.00 0.00 42.92 39.72 1xn6 s ASP 89 CO -0.03 -1.76 0.26 -0.07 -0.17 0.00 0.00 175.17 173.41 1xn6 h LEU 90 N 12.83 0.09 0.00 -1.34 3.38 -1.90 -3.49 115.31 124.87 1xn6 h LEU 90 Ca -0.27 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1xn6 h LEU 90 Cb 1.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1xn6 h LEU 90 CO 1.25 1.55 0.00 0.61 0.09 0.00 0.00 178.44 181.95 1xn6 n GLY 91 N 1.55 -0.31 2.44 0.83 0.00 -0.69 -4.95 105.19 104.06 1xn6 n GLY 91 Ca -0.31 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.57 -1.77 1.61 8.00 -1.26 0.19 116.55 119.75 1xn6 n ASP 92 Ca 0.00 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.59 1xn6 n ASP 92 Cb 0.00 -3.06 0.01 0.00 -0.02 0.00 0.00 41.12 38.05 1xn6 n ASP 92 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xn6 n ASN 93 N -1.76 -4.29 -4.26 -2.24 2.85 -1.26 -4.94 115.26 99.37 1xn6 n ASN 93 Ca -0.13 -0.10 -0.18 0.00 -0.11 0.00 0.00 54.58 54.06 1xn6 n ASN 93 Cb 0.60 -3.30 -0.11 0.00 1.24 0.00 0.00 39.78 38.20 1xn6 n ASN 93 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1xn6 s LYS 94 N -4.99 1.07 -0.16 1.20 1.02 0.51 -0.04 119.74 118.35 1xn6 s LYS 94 Ca 0.10 -1.30 -0.18 0.00 0.02 0.00 0.00 55.97 54.62 1xn6 s LYS 94 Cb -0.05 -0.94 0.05 0.00 -0.52 0.00 0.00 37.83 36.38 1xn6 s LYS 94 CO 0.13 0.17 0.49 0.99 -0.92 0.00 0.00 175.35 176.21 1xn6 s THR 95 N -2.30 0.00 -0.35 2.17 2.01 -0.75 -1.70 115.64 114.73 1xn6 s THR 95 Ca 0.11 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.81 1xn6 s THR 95 Cb -0.04 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1xn6 s THR 95 CO 0.03 -0.02 0.95 -0.70 -0.69 0.00 0.00 174.62 174.19 1xn6 s GLU 96 N 0.04 3.91 -0.22 4.92 2.12 -0.43 -2.65 118.70 126.40 1xn6 s GLU 96 Ca -0.02 0.71 -0.09 0.00 0.36 0.00 0.00 54.97 55.93 1xn6 s GLU 96 Cb -0.03 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 1xn6 s GLU 96 CO 0.02 -0.91 0.12 0.12 -0.54 0.00 0.00 175.26 174.07 1xn6 s PHE 97 N 3.47 3.30 -0.20 5.30 5.36 0.95 -2.06 117.98 134.09 1xn6 s PHE 97 Ca 0.39 0.15 -0.02 0.00 -0.96 0.00 0.00 56.93 56.49 1xn6 s PHE 97 Cb -0.12 -2.19 0.06 0.00 -0.34 0.00 0.00 43.02 40.43 1xn6 s PHE 97 CO 0.17 0.10 0.01 0.99 -1.46 0.00 0.00 175.22 175.03 1xn6 s THR 98 N 0.77 0.81 -0.25 0.12 2.01 -1.03 -0.19 115.64 117.88 1xn6 s THR 98 Ca 0.06 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 1xn6 s THR 98 Cb -0.13 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1xn6 s THR 98 CO 0.02 -0.16 0.32 -0.22 -0.69 0.00 0.00 174.62 173.89 1xn6 s LEU 99 N 1.73 4.07 -0.17 4.42 0.20 -1.06 -0.27 118.68 127.60 1xn6 s LEU 99 Ca -0.02 0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.07 1xn6 s LEU 99 Cb -0.17 -2.36 0.01 0.00 -0.43 0.00 0.00 46.19 43.24 1xn6 s LEU 99 CO -0.07 -0.11 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.07 1xn6 s ILE 100 N 1.73 2.34 -0.19 6.68 1.01 0.20 -0.60 121.20 132.38 1xn6 s ILE 100 Ca 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1xn6 s ILE 100 Cb -0.15 -1.99 0.05 0.00 0.01 0.00 0.00 42.46 40.39 1xn6 s ILE 100 CO 0.09 0.52 0.00 -2.28 0.00 0.00 0.00 174.94 173.27 1xn6 s HIS 101 N 1.11 1.39 0.00 3.97 2.46 -1.02 0.32 115.29 123.52 1xn6 s HIS 101 Ca 0.00 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.50 1xn6 s HIS 101 Cb -0.14 -1.17 0.00 0.00 -0.13 0.00 0.00 32.58 31.14 1xn6 s HIS 101 CO -0.07 -0.63 0.00 0.41 -2.47 0.00 0.00 174.74 171.99 1xn6 n GLY 102 N 4.95 5.51 0.00 1.59 0.00 0.16 -1.84 105.19 115.56 1xn6 n GLY 102 Ca -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.90 3.19 3.12 -0.02 0.00 -1.26 0.56 105.19 111.68 1xn6 n GLY 103 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.47 0.04 1.61 7.02 -1.26 -4.89 117.44 117.49 1xn6 n TRP 104 Ca 0.00 -0.17 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1xn6 n TRP 104 Cb 0.00 -1.42 0.00 0.00 -2.42 0.00 0.00 31.31 27.47 1xn6 n TRP 104 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn6 n LYS 105 N -2.88 0.00 -4.10 -0.99 5.02 -1.26 -4.79 118.16 109.16 1xn6 n LYS 105 Ca 0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 1xn6 n LYS 105 Cb 0.46 -0.15 -0.13 0.00 -0.02 0.00 0.00 35.03 35.20 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1xn6 s HIS 106 N -1.47 0.58 -1.94 2.13 2.46 -1.26 -1.97 115.29 113.82 1xn6 s HIS 106 Ca 0.00 -0.33 0.24 0.00 0.47 0.00 0.00 55.06 55.43 1xn6 s HIS 106 Cb 0.00 -0.36 1.40 0.00 -0.13 0.00 0.00 32.58 33.50 1xn6 s HIS 106 CO 0.00 -0.06 1.79 -0.35 -2.47 0.00 0.00 174.74 173.66 1xn6 n PRO 107 N 2.06 0.70 0.02 2.88 -0.04 -1.26 -2.18 135.00 137.19 1xn6 n PRO 107 Ca -0.19 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1xn6 n PRO 107 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.03 0.58 -4.83 3.54 2.03 -1.26 -4.77 116.55 110.81 1xn6 n ASP 108 Ca 0.17 0.24 -0.30 0.00 0.52 0.00 0.00 54.79 55.43 1xn6 n ASP 108 Cb 0.09 0.68 -0.05 0.00 -0.72 0.00 0.00 41.12 41.12 1xn6 n ASP 108 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xn6 s GLU 109 N -3.06 3.07 0.23 -0.67 -1.05 -0.93 -5.11 118.70 111.18 1xn6 s GLU 109 Ca -0.04 -0.63 0.07 0.00 -0.15 0.00 0.00 54.97 54.21 1xn6 s GLU 109 Cb 0.09 -2.82 -0.04 0.00 -0.44 0.00 0.00 34.13 30.93 1xn6 s GLU 109 CO 0.83 0.57 0.12 0.42 0.95 0.00 0.00 175.26 178.14 1xn6 s ILE 110 N -1.48 4.15 0.10 1.83 -1.09 -1.26 -4.48 121.20 118.96 1xn6 s ILE 110 Ca 0.31 -1.46 0.04 0.00 -2.23 0.00 0.00 60.65 57.32 1xn6 s ILE 110 Cb -0.12 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1xn6 s ILE 110 CO 0.24 -0.28 0.06 -0.76 -1.23 0.00 0.00 174.94 172.97 1xn6 s LEU 111 N -3.56 3.68 0.97 2.97 1.02 -1.26 -5.03 118.68 117.47 1xn6 s LEU 111 Ca 0.31 -0.09 -0.14 0.00 0.02 0.00 0.00 54.13 54.23 1xn6 s LEU 111 Cb -0.08 -2.37 0.17 0.00 0.02 0.00 0.00 46.19 43.93 1xn6 s LEU 111 CO 0.23 0.16 1.16 -2.16 0.02 0.00 0.00 176.35 175.76 1xn6 s PRO 112 N -2.47 0.67 0.00 1.29 0.04 -1.26 -0.94 135.00 132.33 1xn6 s PRO 112 Ca 0.28 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1xn6 s PRO 112 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1xn6 s PRO 112 CO 0.21 -2.48 0.00 1.63 0.04 0.00 0.00 177.00 176.40 1xn6 n LYS 113 N -3.93 0.00 0.19 4.56 5.02 -1.26 -3.74 118.16 119.00 1xn6 n LYS 113 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 1xn6 n LYS 113 Cb 0.59 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.57 1xn6 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn6 h ALA 114 N -0.14 -0.92 0.00 7.82 0.00 -1.87 -3.49 119.26 120.66 1xn6 h ALA 114 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xn6 h ALA 114 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xn6 h ALA 114 CO 0.00 -0.88 0.00 -1.71 0.00 0.00 0.00 179.25 176.66 1xn6 n ASN 115 N -3.56 0.00 -1.33 0.00 2.85 -0.12 -5.06 115.26 108.04 1xn6 n ASN 115 Ca -0.06 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.47 1xn6 n ASN 115 Cb 0.19 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.17 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 -0.03 -2.42 -1.64 5.20 0.00 -1.26 -4.70 120.51 115.65 1xn6 n ALA 116 Ca 0.00 0.60 -0.50 0.00 0.00 0.00 0.00 53.44 53.53 1xn6 n ALA 116 Cb 0.00 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 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 -3.13 1.64 -0.18 0.00 5.02 -1.26 -4.50 118.16 115.74 1xn6 n LYS 117 Ca -0.04 0.59 0.19 0.00 -2.02 0.00 0.00 58.31 57.04 1xn6 n LYS 117 Cb 0.50 -2.31 0.56 0.00 -0.02 0.00 0.00 35.03 33.75 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 5.95 0.31 -0.95 4.39 4.64 -1.84 0.31 113.55 126.36 1xn6 h SER 118 Ca -0.47 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 1xn6 h SER 118 Cb 1.30 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1xn6 h SER 118 CO 0.86 0.14 0.57 0.77 -0.87 0.00 0.00 176.83 178.30 1xn6 h SER 119 N 0.31 1.14 -0.09 4.97 4.64 -1.89 1.33 113.55 123.97 1xn6 h SER 119 Ca 0.41 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1xn6 h SER 119 Cb 1.12 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1xn6 h SER 119 CO -0.12 0.88 0.04 0.40 -0.87 0.00 0.00 176.83 177.16 1xn6 h ILE 120 N 1.31 1.11 -0.26 0.95 2.04 -0.74 0.34 117.51 122.25 1xn6 h ILE 120 Ca 0.34 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1xn6 h ILE 120 Cb -0.05 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1xn6 h ILE 120 CO -0.06 0.09 -0.06 0.40 0.00 0.00 0.00 178.15 178.52 1xn6 h ILE 121 N 0.02 1.28 -0.64 -0.67 1.08 -0.99 0.33 117.51 117.93 1xn6 h ILE 121 Ca 0.03 -1.06 0.07 0.00 -0.39 0.00 0.00 64.86 63.51 1xn6 h ILE 121 Cb 0.11 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.25 1xn6 h ILE 121 CO -0.00 0.33 0.31 0.03 -0.69 0.00 0.00 178.15 178.13 1xn6 h ARG 122 N 0.25 0.55 0.23 2.37 3.08 0.19 0.90 114.38 121.95 1xn6 h ARG 122 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xn6 h ARG 122 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xn6 h ARG 122 CO 0.02 0.36 -0.11 0.22 -1.07 0.00 0.00 179.97 179.40 1xn6 h ASP 123 N 0.57 -0.26 -0.40 7.04 3.58 -0.18 1.51 116.42 128.27 1xn6 h ASP 123 Ca 0.30 -0.19 0.07 0.00 0.42 0.00 0.00 57.03 57.63 1xn6 h ASP 123 Cb 0.27 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.33 1xn6 h ASP 123 CO -0.23 0.06 0.04 0.03 -2.88 0.00 0.00 179.24 176.26 1xn6 h ARG 124 N -0.59 0.15 -0.08 0.28 2.47 -0.44 0.36 114.38 116.52 1xn6 h ARG 124 Ca -0.03 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 1xn6 h ARG 124 Cb 0.43 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1xn6 h ARG 124 CO 0.05 0.10 -0.08 0.52 0.56 0.00 0.00 179.97 181.12 1xn6 h MET 125 N 0.15 0.21 -0.28 0.04 2.86 0.87 -1.34 114.93 117.44 1xn6 h MET 125 Ca 0.19 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1xn6 h MET 125 Cb 0.26 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 1xn6 h MET 125 CO -0.29 0.64 -0.18 1.03 1.06 0.00 0.00 176.91 179.17 1xn6 h SER 126 N -0.22 -0.58 0.77 1.22 0.87 0.25 0.83 113.55 116.69 1xn6 h SER 126 Ca 0.01 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1xn6 h SER 126 Cb 0.60 0.30 0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1xn6 h SER 126 CO 0.02 -0.21 -0.37 1.23 -0.53 0.00 0.00 176.83 176.97 1xn6 h GLY 127 N -0.15 -1.08 1.19 5.77 0.00 -0.31 0.20 103.07 108.68 1xn6 h GLY 127 Ca 0.15 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.94 1xn6 h GLY 127 CO -0.37 -0.39 0.35 -1.33 0.00 0.00 0.00 176.54 174.79 1xn6 h GLY 128 N -1.05 0.00 0.55 4.60 0.00 -1.04 0.25 103.07 106.38 1xn6 h GLY 128 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1xn6 h GLY 128 CO 0.17 0.00 -0.50 1.49 0.00 0.00 0.00 176.54 177.70 1xn6 h TRP 129 N 0.00 0.41 -0.75 5.60 -0.00 0.12 -1.94 115.95 119.38 1xn6 h TRP 129 Ca 0.09 -0.26 0.14 0.00 -0.00 0.00 0.00 58.89 58.87 1xn6 h TRP 129 Cb 0.79 -0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.87 1xn6 h TRP 129 CO 0.00 1.13 0.50 0.28 -0.00 0.00 0.00 178.44 180.36 1xn6 h VAL 130 N -0.44 0.81 0.05 1.49 2.07 0.26 0.61 116.25 121.11 1xn6 h VAL 130 Ca -0.08 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xn6 h VAL 130 Cb 1.31 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1xn6 h VAL 130 CO 0.10 0.08 -0.03 0.00 0.02 0.00 0.00 177.57 177.74 1xn6 h ALA 131 N 1.64 -0.07 -0.73 1.67 0.00 -1.30 -1.66 119.26 118.81 1xn6 h ALA 131 Ca 0.37 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1xn6 h ALA 131 Cb 0.81 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 1xn6 h ALA 131 CO -0.12 -0.22 0.37 0.82 0.00 0.00 0.00 179.25 180.10 1xn6 h ILE 132 N -0.72 0.86 0.00 0.00 2.04 -0.40 1.56 117.51 120.85 1xn6 h ILE 132 Ca -0.01 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1xn6 h ILE 132 Cb 0.60 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1xn6 h ILE 132 CO 0.01 0.12 -0.21 0.58 0.00 0.00 0.00 178.15 178.65 1xn6 h VAL 133 N 0.64 1.01 -0.59 1.67 2.07 0.15 -1.26 116.25 119.93 1xn6 h VAL 133 Ca 0.35 -0.74 -0.41 0.00 0.82 0.00 0.00 66.70 66.72 1xn6 h VAL 133 Cb 0.36 1.41 -0.29 0.00 -1.52 0.00 0.00 31.29 31.25 1xn6 h VAL 133 CO -0.26 0.20 -0.46 0.59 0.02 0.00 0.00 177.57 177.66 1xn6 n ASN 134 N -4.09 4.32 0.00 0.57 3.02 0.12 -3.96 115.26 115.23 1xn6 n ASN 134 Ca -0.02 -3.79 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 1xn6 n ASN 134 Cb 0.28 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.87 0.00 -0.05 3.52 -0.58 0.49 -4.88 120.64 118.28 1xn6 n GLU 135 Ca 0.40 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 57.09 1xn6 n GLU 135 Cb 0.90 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.72 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 -0.02 -0.89 3.49 1.57 -1.59 -2.87 116.57 116.26 1xn6 h LYS 136 Ca 0.00 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.13 1xn6 h LYS 136 Cb 0.00 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 1xn6 h LYS 136 CO 0.00 0.34 0.41 -0.11 -0.57 0.00 0.00 179.45 179.52 1xn6 n LEU 137 N -4.74 0.25 0.17 2.94 -0.00 -0.54 0.20 117.00 115.27 1xn6 n LEU 137 Ca -0.04 1.48 -0.12 0.00 -0.00 0.00 0.00 56.01 57.32 1xn6 n LEU 137 Cb 0.18 -0.69 -0.07 0.00 -0.00 0.00 0.00 43.42 42.83 1xn6 n LEU 137 CO 0.13 -1.63 0.46 0.50 -0.00 0.00 0.00 177.39 176.85 1xn6 h LYS 138 N 0.00 -0.44 -0.22 1.96 3.64 -1.69 0.13 116.57 119.96 1xn6 h LYS 138 Ca 0.72 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 60.19 1xn6 h LYS 138 Cb 1.86 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 1xn6 h LYS 138 CO -0.71 -0.11 0.21 0.87 -2.27 0.00 0.00 179.45 177.44 1xn6 h LYS 139 N -0.88 0.00 0.21 1.90 1.57 0.14 1.54 116.57 121.05 1xn6 h LYS 139 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xn6 h LYS 139 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xn6 h LYS 139 CO 0.08 0.00 -0.10 0.28 -0.57 0.00 0.00 179.45 179.14 1xn6 h VAL 140 N 0.00 0.68 0.41 0.50 2.07 0.25 0.41 116.25 120.56 1xn6 h VAL 140 Ca 0.10 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1xn6 h VAL 140 Cb 0.52 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1xn6 h VAL 140 CO -0.00 0.17 -0.20 0.58 0.02 0.00 0.00 177.57 178.14 1xn6 h VAL 141 N -0.91 0.48 -0.85 2.57 2.07 0.05 -3.10 116.25 116.56 1xn6 h VAL 141 Ca -0.03 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1xn6 h VAL 141 Cb 0.50 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1xn6 h VAL 141 CO 0.05 0.08 0.56 -0.08 0.02 0.00 0.00 177.57 178.19 1xn6 h GLU 142 N -0.91 0.97 0.00 1.57 4.81 0.20 -3.49 114.58 117.73 1xn6 h GLU 142 Ca -0.06 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xn6 h GLU 142 Cb 0.56 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xn6 h GLU 142 CO 0.09 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.42