#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn6 n GLU 2 N 0.00 0.65 -1.52 2.12 1.02 -1.26 -5.03 120.64 116.62 1xn6 n GLU 2 Ca 0.00 -1.73 -0.28 0.00 -0.02 0.00 0.00 57.16 55.12 1xn6 n GLU 2 Cb 0.00 1.03 -0.14 0.00 -0.02 0.00 0.00 31.44 32.31 1xn6 n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn6 n GLN 3 N -0.44 0.29 0.00 3.49 10.64 -1.26 -4.57 117.38 125.53 1xn6 n GLN 3 Ca -0.02 -0.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.98 1xn6 n GLN 3 Cb 0.31 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.57 1xn6 n GLN 3 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1xn6 n GLN 4 N 7.66 0.00 -0.14 2.61 7.27 -1.26 -5.16 117.38 128.36 1xn6 n GLN 4 Ca 0.58 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.57 1xn6 n GLN 4 Cb 0.24 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.96 1xn6 n GLN 4 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1xn6 n ASN 5 N 0.00 -2.12 -0.85 1.69 3.02 -1.26 -4.84 115.26 110.90 1xn6 n ASN 5 Ca 0.00 -0.21 0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1xn6 n ASN 5 Cb 0.00 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 1xn6 n ASN 5 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1xn6 n THR 6 N -3.49 0.00 -3.42 3.41 -1.04 -1.26 -4.79 114.28 103.69 1xn6 n THR 6 Ca 0.03 0.10 -0.37 0.00 -2.04 0.00 0.00 64.05 61.77 1xn6 n THR 6 Cb 0.15 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.20 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 -5.48 4.27 0.00 -4.42 1.43 0.15 -4.86 118.68 109.77 1xn6 s LEU 7 Ca 0.00 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1xn6 s LEU 7 Cb 0.00 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1xn6 s LEU 7 CO 0.00 0.06 0.27 0.59 0.23 0.00 0.00 176.35 177.49 1xn6 n ASN 8 N 3.56 1.26 -4.56 2.29 3.02 -1.26 -4.68 115.26 114.89 1xn6 n ASN 8 Ca -0.09 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.34 1xn6 n ASN 8 Cb 0.52 -0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.45 6.25 -0.92 6.41 1.01 -1.26 -4.77 116.67 120.93 1xn6 s ASP 9 Ca 0.20 -0.04 -0.26 0.00 0.71 0.00 0.00 52.55 53.17 1xn6 s ASP 9 Cb -0.02 -2.23 -0.22 0.00 1.01 0.00 0.00 42.92 41.47 1xn6 s ASP 9 CO 0.13 -0.36 2.54 -0.38 0.21 0.00 0.00 175.17 177.31 1xn6 n ILE 10 N 5.28 -0.01 -3.51 0.77 5.41 0.44 -4.55 119.36 123.19 1xn6 n ILE 10 Ca -0.07 -0.23 -0.37 0.00 1.00 0.00 0.00 62.75 63.07 1xn6 n ILE 10 Cb 0.49 -0.79 -0.08 0.00 -0.71 0.00 0.00 39.64 38.56 1xn6 n ILE 10 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn6 s LYS 11 N 8.50 4.20 -0.54 0.38 2.20 -1.23 -1.85 119.74 131.40 1xn6 s LYS 11 Ca 1.28 0.06 0.04 0.00 -0.36 0.00 0.00 55.97 56.99 1xn6 s LYS 11 Cb -0.98 -3.48 0.16 0.00 -1.51 0.00 0.00 37.83 32.02 1xn6 s LYS 11 CO 0.46 0.12 0.37 -0.65 -0.36 0.00 0.00 175.35 175.28 1xn6 s GLN 12 N 0.85 1.67 -0.21 4.03 -0.21 -0.27 -4.90 119.66 120.61 1xn6 s GLN 12 Ca 0.16 -2.59 -0.26 0.00 0.02 0.00 0.00 55.36 52.69 1xn6 s GLN 12 Cb -0.14 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.33 1xn6 s GLN 12 CO 0.05 -1.27 0.88 0.99 -2.12 0.00 0.00 175.29 173.81 1xn6 s THR 13 N -0.47 4.82 -0.00 -0.19 2.01 -1.25 -1.82 115.64 118.73 1xn6 s THR 13 Ca 0.25 1.70 -0.15 0.00 0.31 0.00 0.00 61.69 63.80 1xn6 s THR 13 Cb -0.08 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1xn6 s THR 13 CO -0.12 -0.05 0.32 -0.51 -0.69 0.00 0.00 174.62 173.57 1xn6 s ILE 14 N 2.60 0.06 -0.19 1.82 2.07 0.31 -4.98 121.20 122.89 1xn6 s ILE 14 Ca 0.38 -0.51 -0.04 0.00 -1.41 0.00 0.00 60.65 59.08 1xn6 s ILE 14 Cb -0.16 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1xn6 s ILE 14 CO 0.09 -0.28 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.13 1xn6 s VAL 15 N -1.59 3.74 0.25 4.00 1.01 -1.26 0.12 120.40 126.68 1xn6 s VAL 15 Ca -0.12 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1xn6 s VAL 15 Cb -0.04 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1xn6 s VAL 15 CO 0.03 0.45 -0.01 -0.36 0.00 0.00 0.00 175.10 175.21 1xn6 s PHE 16 N 0.91 2.70 -1.33 5.22 0.08 -1.03 -4.99 117.98 119.55 1xn6 s PHE 16 Ca 0.00 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 1xn6 s PHE 16 Cb -0.14 -1.21 0.13 0.00 -0.57 0.00 0.00 43.02 41.23 1xn6 s PHE 16 CO 0.01 0.61 1.99 -1.71 -0.10 0.00 0.00 175.22 176.02 1xn6 n ASN 17 N -0.78 5.03 -2.94 1.36 2.85 -1.26 -2.73 115.26 116.79 1xn6 n ASN 17 Ca -0.07 -3.05 -0.12 0.00 -0.11 0.00 0.00 54.58 51.23 1xn6 n ASN 17 Cb 0.58 -1.51 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 0.91 -0.04 0.15 5.20 0.00 0.11 -4.83 121.76 123.25 1xn6 s ALA 18 Ca 0.42 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1xn6 s ALA 18 Cb 0.11 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1xn6 s ALA 18 CO -0.02 -0.90 0.12 -1.12 0.00 0.00 0.00 175.76 173.84 1xn6 s SER 19 N -3.16 5.52 0.39 0.00 0.01 -1.26 -1.26 113.70 113.94 1xn6 s SER 19 Ca 0.22 -0.11 0.18 0.00 1.31 0.00 0.00 55.95 57.55 1xn6 s SER 19 Cb -0.03 -1.45 1.09 0.00 0.21 0.00 0.00 66.02 65.84 1xn6 s SER 19 CO 0.16 0.09 1.77 -0.29 0.41 0.00 0.00 173.24 175.38 1xn6 h ILE 20 N 2.16 0.53 -0.35 1.44 2.10 -1.87 0.77 117.51 122.29 1xn6 h ILE 20 Ca -0.47 -0.14 -0.16 0.00 1.08 0.00 0.00 64.86 65.17 1xn6 h ILE 20 Cb 1.19 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 1xn6 h ILE 20 CO 0.64 0.07 -0.41 1.56 -1.08 0.00 0.00 178.15 178.93 1xn6 h GLN 21 N 0.41 0.87 0.51 2.19 1.08 -1.94 0.43 115.11 118.66 1xn6 h GLN 21 Ca 0.59 -0.47 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1xn6 h GLN 21 Cb 1.47 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.93 1xn6 h GLN 21 CO -0.30 1.11 -0.25 -0.22 -0.95 0.00 0.00 178.83 178.22 1xn6 h LYS 22 N 0.71 -0.67 -0.76 1.46 3.64 -0.06 0.32 116.57 121.21 1xn6 h LYS 22 Ca 0.05 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1xn6 h LYS 22 Cb 0.99 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1xn6 h LYS 22 CO 0.10 -0.36 0.50 0.28 -2.27 0.00 0.00 179.45 177.69 1xn6 h VAL 23 N -1.01 0.89 -0.23 2.00 2.07 -0.35 1.00 116.25 120.62 1xn6 h VAL 23 Ca -0.07 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1xn6 h VAL 23 Cb 0.61 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1xn6 h VAL 23 CO 0.12 0.11 -0.04 -0.25 0.02 0.00 0.00 177.57 177.52 1xn6 h TRP 24 N 0.60 0.48 -0.63 1.57 2.91 -0.73 -2.05 115.95 118.08 1xn6 h TRP 24 Ca 0.36 -0.10 0.08 0.00 1.13 0.00 0.00 58.89 60.36 1xn6 h TRP 24 Cb 0.58 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.07 1xn6 h TRP 24 CO -0.00 0.65 0.42 1.03 -1.03 0.00 0.00 178.44 179.51 1xn6 h SER 25 N 0.17 0.49 1.09 2.65 0.87 0.19 0.74 113.55 119.75 1xn6 h SER 25 Ca 0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1xn6 h SER 25 Cb 0.49 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1xn6 h SER 25 CO 0.02 0.30 0.00 0.52 -0.53 0.00 0.00 176.83 177.14 1xn6 n VAL 26 N -4.48 0.67 -2.37 2.23 0.31 -0.00 -2.97 118.33 111.73 1xn6 n VAL 26 Ca 0.10 -0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 1xn6 n VAL 26 Cb 0.30 -0.84 0.03 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.17 2.01 -2.35 2.52 0.24 0.23 -3.57 118.33 115.24 1xn6 n VAL 27 Ca 0.04 -3.78 -0.02 0.00 -2.04 0.00 0.00 64.34 58.53 1xn6 n VAL 27 Cb 0.33 -0.24 0.04 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.62 -0.84 -3.84 -1.34 3.41 0.43 -4.91 113.62 105.92 1xn6 n SER 28 Ca 0.29 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 57.17 1xn6 n SER 28 Cb 0.88 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.06 0.00 -0.11 6.66 -4.23 -1.22 -4.88 115.64 111.90 1xn6 s THR 29 Ca 0.04 -1.67 -0.17 0.00 -1.18 0.00 0.00 61.69 58.71 1xn6 s THR 29 Cb 0.19 -2.42 -0.26 0.00 1.34 0.00 0.00 72.50 71.35 1xn6 s THR 29 CO -0.06 0.00 0.54 0.00 -0.54 0.00 0.00 174.62 174.57 1xn6 h ALA 30 N 2.32 0.17 0.19 3.99 0.00 -1.91 -3.16 119.26 120.86 1xn6 h ALA 30 Ca -0.30 -1.05 -0.26 0.00 0.00 0.00 0.00 54.91 53.30 1xn6 h ALA 30 Cb 1.25 0.47 0.03 0.00 0.00 0.00 0.00 17.79 19.53 1xn6 h ALA 30 CO 0.42 0.75 -1.14 0.93 0.00 0.00 0.00 179.25 180.21 1xn6 h GLU 31 N -0.42 0.44 -0.57 0.00 4.39 -1.96 -2.15 114.58 114.31 1xn6 h GLU 31 Ca -0.29 -0.72 0.08 0.00 0.34 0.00 0.00 59.36 58.77 1xn6 h GLU 31 Cb 1.67 0.27 -0.06 0.00 -0.10 0.00 0.00 28.75 30.52 1xn6 h GLU 31 CO 0.03 1.34 0.23 0.78 -1.16 0.00 0.00 179.01 180.23 1xn6 h GLY 32 N -0.09 0.80 0.49 -3.84 0.00 -1.83 0.83 103.07 99.42 1xn6 h GLY 32 Ca -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1xn6 h GLY 32 CO 0.21 0.02 -0.07 -2.22 0.00 0.00 0.00 176.54 174.48 1xn6 h ILE 33 N 0.43 1.00 0.00 2.60 2.04 -1.60 -2.78 117.51 119.21 1xn6 h ILE 33 Ca 0.28 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1xn6 h ILE 33 Cb 0.30 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xn6 h ILE 33 CO -0.26 0.22 0.13 0.00 0.00 0.00 0.00 178.15 178.24 1xn6 h ALA 34 N -0.00 1.13 0.00 1.87 0.00 -1.04 0.55 119.26 121.77 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 0.03 -0.13 0.06 1.03 0.00 0.00 0.00 179.25 180.25 1xn6 h SER 35 N 0.00 0.00 0.00 0.00 0.87 0.99 -3.36 113.55 112.05 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 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 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 -2.44 -1.86 -0.02 2.24 4.27 0.50 -4.84 117.44 115.29 1xn6 n TRP 36 Ca -0.02 0.15 -0.00 0.00 -3.89 0.00 0.00 57.50 53.74 1xn6 n TRP 36 Cb 0.10 0.78 -0.00 0.00 -1.36 0.00 0.00 31.31 30.83 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 -2.62 -0.02 0.00 -2.67 -0.00 0.16 -4.88 117.46 107.43 1xn6 n PHE 37 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1xn6 n PHE 37 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 39.48 39.11 1xn6 n PHE 37 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1xn6 n MET 38 N -2.84 0.00 -2.46 -4.13 2.81 -1.19 -4.96 117.12 104.34 1xn6 n MET 38 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 1xn6 n MET 38 Cb 0.01 0.00 -0.03 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 4.46 0.02 0.03 0.04 -1.26 -3.21 135.00 133.08 1xn6 s PRO 39 Ca 0.00 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 1xn6 s PRO 39 Cb 0.00 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.21 1xn6 s PRO 39 CO 0.00 -0.21 0.30 0.27 0.04 0.00 0.00 177.00 177.40 1xn6 n ASN 40 N 3.80 -0.37 -3.42 6.66 2.04 -1.26 -2.90 115.26 119.82 1xn6 n ASN 40 Ca 0.08 -1.14 -0.35 0.00 -0.44 0.00 0.00 54.58 52.72 1xn6 n ASN 40 Cb 0.47 0.59 -0.01 0.00 -2.53 0.00 0.00 39.78 38.30 1xn6 n ASN 40 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1xn6 n ASP 41 N -0.56 6.04 -4.59 0.53 8.00 -1.24 -4.94 116.55 119.79 1xn6 n ASP 41 Ca 0.00 -3.65 -0.47 0.00 0.71 0.00 0.00 54.79 51.39 1xn6 n ASP 41 Cb 0.15 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.29 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 0.07 1.34 -4.62 1.24 7.35 -1.26 -4.81 117.46 116.77 1xn6 n PHE 42 Ca 0.38 0.67 -0.24 0.00 -0.76 0.00 0.00 57.45 57.50 1xn6 n PHE 42 Cb 0.32 -2.28 -0.16 0.00 0.35 0.00 0.00 39.48 37.71 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 -0.54 1.14 -1.18 -2.13 0.11 -1.26 -4.78 120.40 111.76 1xn6 s VAL 43 Ca 0.67 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 59.09 1xn6 s VAL 43 Cb -0.77 -1.01 0.23 0.00 -1.53 0.00 0.00 36.38 33.29 1xn6 s VAL 43 CO 0.55 0.34 1.46 -0.11 -3.33 0.00 0.00 175.10 174.01 1xn6 n LEU 44 N 3.45 5.86 -3.74 2.54 7.94 -1.26 -4.89 117.00 126.90 1xn6 n LEU 44 Ca -0.20 -4.81 -0.12 0.00 -1.11 0.00 0.00 56.01 49.77 1xn6 n LEU 44 Cb 0.53 -1.48 -0.12 0.00 0.53 0.00 0.00 43.42 42.88 1xn6 n LEU 44 CO 0.25 1.23 -0.04 -1.61 -1.11 0.00 0.00 177.39 176.11 1xn6 s GLU 45 N -0.34 0.31 0.31 1.96 8.01 -1.26 -5.10 118.70 122.59 1xn6 s GLU 45 Ca 0.37 0.54 -0.29 0.00 0.01 0.00 0.00 54.97 55.60 1xn6 s GLU 45 Cb -0.00 0.03 -0.11 0.00 -4.31 0.00 0.00 34.13 29.73 1xn6 s GLU 45 CO 0.00 -0.11 1.46 0.08 0.01 0.00 0.00 175.26 176.70 1xn6 s VAL 46 N 0.83 2.36 -1.66 2.63 1.01 -1.26 -1.60 120.40 122.70 1xn6 s VAL 46 Ca -0.05 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1xn6 s VAL 46 Cb -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.10 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 1.36 0.48 3.28 4.51 0.00 -1.05 -4.91 105.19 108.86 1xn6 n GLY 47 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.70 3.39 0.40 1.61 5.04 -0.63 -4.92 115.29 117.48 1xn6 s HIS 48 Ca 0.00 -1.60 -0.20 0.00 -1.54 0.00 0.00 55.06 51.72 1xn6 s HIS 48 Cb 0.00 -3.71 -0.11 0.00 0.04 0.00 0.00 32.58 28.80 1xn6 s HIS 48 CO 0.00 -1.00 0.90 -1.83 -2.34 0.00 0.00 174.74 170.47 1xn6 s GLU 49 N 1.24 4.18 0.20 2.88 -1.05 -1.26 -3.66 118.70 121.23 1xn6 s GLU 49 Ca 0.07 1.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.92 1xn6 s GLU 49 Cb -0.25 -2.24 -0.00 0.00 -0.44 0.00 0.00 34.13 31.19 1xn6 s GLU 49 CO -0.00 0.01 0.24 1.97 0.95 0.00 0.00 175.26 178.43 1xn6 n PHE 50 N -0.57 -0.81 -4.40 4.83 -1.74 -0.05 -4.99 117.46 109.73 1xn6 n PHE 50 Ca 0.06 -1.48 -0.32 0.00 -0.56 0.00 0.00 57.45 55.15 1xn6 n PHE 50 Cb 0.54 0.26 -0.10 0.00 1.52 0.00 0.00 39.48 41.70 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 -3.39 2.90 0.10 2.97 3.76 -1.26 -2.63 115.29 117.75 1xn6 s HIS 51 Ca 0.19 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1xn6 s HIS 51 Cb 0.00 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 1xn6 s HIS 51 CO 0.14 0.39 -0.02 0.08 -0.85 0.00 0.00 174.74 174.48 1xn6 s VAL 52 N -1.04 0.43 -0.13 -0.90 1.01 -1.25 -3.60 120.40 114.91 1xn6 s VAL 52 Ca 0.18 -1.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.23 1xn6 s VAL 52 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1xn6 s VAL 52 CO 0.09 -0.76 -0.01 -1.10 0.00 0.00 0.00 175.10 173.32 1xn6 s GLN 53 N -3.92 3.45 0.25 2.72 -0.21 -1.14 -3.50 119.66 117.31 1xn6 s GLN 53 Ca 0.15 -0.46 0.06 0.00 0.02 0.00 0.00 55.36 55.13 1xn6 s GLN 53 Cb 0.07 -2.91 -0.05 0.00 1.00 0.00 0.00 33.01 31.12 1xn6 s GLN 53 CO -0.03 0.42 -0.06 -1.12 -2.12 0.00 0.00 175.29 172.37 1xn6 s SER 54 N -0.10 2.49 0.27 5.90 0.01 -1.14 -4.61 113.70 116.52 1xn6 s SER 54 Ca 0.04 -1.16 0.25 0.00 1.31 0.00 0.00 55.95 56.39 1xn6 s SER 54 Cb -0.13 -0.12 0.90 0.00 0.21 0.00 0.00 66.02 66.88 1xn6 s SER 54 CO 0.02 -0.35 1.75 1.55 0.41 0.00 0.00 173.24 176.63 1xn6 h PRO 55 N 2.39 0.00 0.00 12.44 0.13 -2.00 -3.32 132.00 141.64 1xn6 h PRO 55 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.65 1xn6 h PRO 55 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xn6 h PRO 55 CO 0.66 0.00 -1.12 0.34 -0.23 0.00 0.00 178.00 177.64 1xn6 n PHE 56 N -2.35 0.32 -2.74 1.56 -0.00 -1.26 -5.12 117.46 107.87 1xn6 n PHE 56 Ca 0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1xn6 n PHE 56 Cb 0.34 -0.69 0.00 0.00 -0.00 0.00 0.00 39.48 39.13 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 1.47 1.84 3.60 7.13 0.00 -1.25 -5.11 105.19 112.87 1xn6 n GLY 57 Ca -0.20 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 3.59 -0.36 1.61 0.04 -1.26 -2.87 135.00 135.72 1xn6 s PRO 58 Ca 0.00 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.00 1xn6 s PRO 58 Cb 0.00 -4.02 0.11 0.00 0.04 0.00 0.00 34.50 30.63 1xn6 s PRO 58 CO 0.00 -1.55 0.13 0.45 0.04 0.00 0.00 177.00 176.07 1xn6 s SER 59 N 3.90 4.06 1.12 6.66 0.15 -1.23 -4.87 113.70 123.49 1xn6 s SER 59 Ca 0.61 -2.04 -0.19 0.00 0.70 0.00 0.00 55.95 55.03 1xn6 s SER 59 Cb -0.14 -1.07 0.27 0.00 -1.71 0.00 0.00 66.02 63.37 1xn6 s SER 59 CO 0.32 -0.36 1.23 -0.81 1.20 0.00 0.00 173.24 174.82 1xn6 n PRO 60 N 4.33 -2.23 -3.82 5.44 -0.04 -1.26 -3.88 135.00 133.54 1xn6 n PRO 60 Ca 0.02 -1.93 -0.10 0.00 -0.04 0.00 0.00 63.50 61.46 1xn6 n PRO 60 Cb 0.40 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.35 -0.02 0.56 0.00 2.20 -0.76 -0.87 119.74 117.49 1xn6 s LYS 62 Ca 0.01 0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 55.82 1xn6 s LYS 62 Cb 0.02 -0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 35.93 1xn6 s LYS 62 CO -0.08 -0.28 1.26 0.08 -0.36 0.00 0.00 175.35 175.96 1xn6 s VAL 63 N 1.94 2.49 -0.11 4.02 1.01 -1.24 0.16 120.40 128.67 1xn6 s VAL 63 Ca 0.01 0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 1xn6 s VAL 63 Cb -0.12 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1xn6 s VAL 63 CO -0.04 -0.03 -0.22 0.18 0.00 0.00 0.00 175.10 174.99 1xn6 n LEU 64 N -1.21 1.45 -4.10 3.92 4.77 0.40 -2.53 117.00 119.69 1xn6 n LEU 64 Ca 0.12 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.18 1xn6 n LEU 64 Cb 0.48 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 1xn6 n LEU 64 CO 0.48 -0.15 -0.43 -0.70 -1.33 0.00 0.00 177.39 175.27 1xn6 s GLU 65 N -2.46 0.65 -0.10 3.23 2.56 -0.94 -4.48 118.70 117.16 1xn6 s GLU 65 Ca -0.20 -0.80 0.02 0.00 0.00 0.00 0.00 54.97 53.99 1xn6 s GLU 65 Cb 0.05 -0.52 0.01 0.00 2.00 0.00 0.00 34.13 35.67 1xn6 s GLU 65 CO 0.28 0.11 -0.17 0.42 -0.56 0.00 0.00 175.26 175.34 1xn6 s ILE 66 N -1.26 1.55 -0.49 -3.70 1.01 -1.26 -0.99 121.20 116.06 1xn6 s ILE 66 Ca -0.06 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1xn6 s ILE 66 Cb -0.10 -1.39 0.21 0.00 0.01 0.00 0.00 42.46 41.19 1xn6 s ILE 66 CO 0.01 0.45 0.82 0.47 0.00 0.00 0.00 174.94 176.69 1xn6 n ASP 67 N 3.95 -3.07 -0.23 3.58 8.00 -0.25 -4.99 116.55 123.54 1xn6 n ASP 67 Ca -0.20 -2.74 -0.01 0.00 0.71 0.00 0.00 54.79 52.55 1xn6 n ASP 67 Cb 0.52 1.63 0.06 0.00 -0.02 0.00 0.00 41.12 43.31 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 4.65 -0.03 -2.66 -1.24 4.81 -1.97 1.46 114.58 119.60 1xn6 h GLU 68 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 1xn6 h GLU 68 Cb 1.10 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1xn6 h GLU 68 CO 0.05 -0.02 1.16 -0.35 -0.73 0.00 0.00 179.01 179.13 1xn6 n PRO 69 N -5.45 2.01 0.00 0.92 -0.04 -1.26 -3.94 135.00 127.23 1xn6 n PRO 69 Ca 0.08 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1xn6 n PRO 69 Cb 0.35 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 1xn6 n PRO 69 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xn6 n ASN 70 N 3.15 0.00 0.00 3.54 4.05 -0.55 -5.13 115.26 120.33 1xn6 n ASN 70 Ca 0.43 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1xn6 n ASN 70 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 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 -3.86 1.20 1.44 0.49 -1.93 115.22 112.57 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 0.97 0.07 2.39 2.34 -1.25 -1.09 118.68 122.10 1xn6 s LEU 72 Ca 0.00 -0.68 0.04 0.00 0.06 0.00 0.00 54.13 53.56 1xn6 s LEU 72 Cb 0.00 1.31 -0.03 0.00 -0.56 0.00 0.00 46.19 46.91 1xn6 s LEU 72 CO 0.00 -0.84 -0.12 -0.94 -1.06 0.00 0.00 176.35 173.38 1xn6 s SER 73 N -2.90 1.46 -0.09 1.48 1.04 -0.16 -3.41 113.70 111.12 1xn6 s SER 73 Ca 0.10 -0.61 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1xn6 s SER 73 Cb 0.03 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.18 1xn6 s SER 73 CO -0.06 -0.12 0.51 0.72 0.98 0.00 0.00 173.24 175.27 1xn6 s PHE 74 N -1.35 -0.48 0.46 5.02 -0.12 -1.16 0.15 117.98 120.50 1xn6 s PHE 74 Ca -0.04 0.95 0.01 0.00 -0.05 0.00 0.00 56.93 57.81 1xn6 s PHE 74 Cb -0.10 0.24 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 1xn6 s PHE 74 CO 0.02 -0.43 0.67 -1.54 -0.05 0.00 0.00 175.22 173.89 1xn6 s SER 75 N -0.74 5.71 -0.24 1.98 1.04 0.43 -2.11 113.70 119.77 1xn6 s SER 75 Ca -0.08 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1xn6 s SER 75 Cb -0.03 -1.33 0.05 0.00 0.10 0.00 0.00 66.02 64.81 1xn6 s SER 75 CO 0.05 -0.78 -0.11 0.86 0.98 0.00 0.00 173.24 174.24 1xn6 s TRP 76 N -2.56 3.13 1.21 5.02 -0.11 0.13 -1.84 118.94 123.93 1xn6 s TRP 76 Ca 0.50 -2.03 -0.16 0.00 1.22 0.00 0.00 56.10 55.63 1xn6 s TRP 76 Cb -0.10 -1.96 0.29 0.00 -1.50 0.00 0.00 33.47 30.20 1xn6 s TRP 76 CO 0.37 -0.84 1.03 -0.51 -4.62 0.00 0.00 176.95 172.38 1xn6 s ASP 77 N 1.19 0.73 -1.73 5.86 1.11 0.34 -0.28 116.67 123.89 1xn6 s ASP 77 Ca -0.04 1.12 -0.22 0.00 0.18 0.00 0.00 52.55 53.59 1xn6 s ASP 77 Cb -0.18 -1.70 0.22 0.00 1.07 0.00 0.00 42.92 42.33 1xn6 s ASP 77 CO -0.06 -4.30 0.54 0.41 1.18 0.00 0.00 175.17 172.94 1xn6 n THR 78 N -4.94 -0.01 0.07 -1.27 -1.04 -1.26 -4.27 114.28 101.55 1xn6 n THR 78 Ca 0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1xn6 n THR 78 Cb 0.57 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.19 -1.19 0.00 8.00 8.00 -1.20 -4.81 116.55 123.15 1xn6 n ASP 79 Ca 0.10 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1xn6 n ASP 79 Cb 0.42 1.41 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 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 -1.47 1.43 3.95 0.44 0.00 0.61 -4.04 105.19 106.11 1xn6 n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 3.40 -0.06 1.61 0.51 -1.22 -4.83 118.94 116.35 1xn6 s TRP 81 Ca 0.00 -0.04 0.01 0.00 -2.12 0.00 0.00 56.10 53.95 1xn6 s TRP 81 Cb 0.00 -1.56 0.02 0.00 -0.81 0.00 0.00 33.47 31.12 1xn6 s TRP 81 CO 0.00 0.44 -0.06 0.08 -0.51 0.00 0.00 176.95 176.90 1xn6 s VAL 82 N -2.00 0.70 -0.10 4.03 1.01 -1.18 0.21 120.40 123.06 1xn6 s VAL 82 Ca 0.34 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1xn6 s VAL 82 Cb -0.09 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1xn6 s VAL 82 CO 0.29 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.79 1xn6 s VAL 83 N 1.18 1.72 -0.04 2.92 1.01 -0.90 -1.80 120.40 124.49 1xn6 s VAL 83 Ca -0.06 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1xn6 s VAL 83 Cb -0.14 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1xn6 s VAL 83 CO -0.01 0.48 -0.05 -0.55 0.00 0.00 0.00 175.10 174.97 1xn6 s SER 84 N 0.67 0.97 -0.35 3.32 0.15 0.24 -2.99 113.70 115.71 1xn6 s SER 84 Ca -0.12 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.28 1xn6 s SER 84 Cb -0.16 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1xn6 s SER 84 CO 0.03 -0.05 0.19 -0.36 1.20 0.00 0.00 173.24 174.25 1xn6 s PHE 85 N 0.88 3.21 0.56 3.44 0.08 -1.22 0.10 117.98 125.04 1xn6 s PHE 85 Ca -0.12 -0.70 -0.13 0.00 0.12 0.00 0.00 56.93 56.10 1xn6 s PHE 85 Cb -0.14 -2.42 -0.06 0.00 -0.57 0.00 0.00 43.02 39.83 1xn6 s PHE 85 CO 0.00 -0.53 1.00 -0.51 -0.10 0.00 0.00 175.22 175.08 1xn6 s ASP 86 N 1.60 6.42 -0.07 1.36 1.11 0.15 -3.93 116.67 123.30 1xn6 s ASP 86 Ca 0.04 1.47 -0.03 0.00 0.18 0.00 0.00 52.55 54.20 1xn6 s ASP 86 Cb -0.18 -2.48 0.04 0.00 1.07 0.00 0.00 42.92 41.37 1xn6 s ASP 86 CO 0.07 -0.72 0.16 -0.76 1.18 0.00 0.00 175.17 175.10 1xn6 s LEU 87 N -4.62 0.70 -0.08 1.23 1.02 -0.81 -3.06 118.68 113.05 1xn6 s LEU 87 Ca 0.56 0.33 0.02 0.00 0.02 0.00 0.00 54.13 55.06 1xn6 s LEU 87 Cb -0.10 0.42 0.02 0.00 0.02 0.00 0.00 46.19 46.54 1xn6 s LEU 87 CO 0.43 -0.15 -0.11 -0.75 0.02 0.00 0.00 176.35 175.79 1xn6 s LYS 88 N 1.16 1.64 -0.54 1.70 2.20 -0.96 -4.69 119.74 120.24 1xn6 s LYS 88 Ca -0.09 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 1xn6 s LYS 88 Cb -0.11 -1.44 0.01 0.00 -1.51 0.00 0.00 37.83 34.78 1xn6 s LYS 88 CO -0.06 -0.06 1.43 0.34 -0.36 0.00 0.00 175.35 176.65 1xn6 s ASP 89 N 0.95 6.12 -0.22 1.43 2.15 -1.26 -1.55 116.67 124.29 1xn6 s ASP 89 Ca -0.09 0.37 -0.18 0.00 0.43 0.00 0.00 52.55 53.07 1xn6 s ASP 89 Cb -0.15 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.75 1xn6 s ASP 89 CO 0.00 -1.70 0.07 0.18 -0.17 0.00 0.00 175.17 173.55 1xn6 n LEU 90 N 9.59 1.95 0.00 -1.34 4.77 -1.09 -4.98 117.00 125.90 1xn6 n LEU 90 Ca 0.13 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1xn6 n LEU 90 Cb 0.49 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1xn6 n LEU 90 CO 0.71 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1xn6 n GLY 91 N 1.43 -0.21 3.41 -0.72 0.00 -0.31 -4.95 105.19 103.85 1xn6 n GLY 91 Ca -0.38 -2.26 -0.23 0.00 0.00 0.00 0.00 46.02 43.14 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 -3.36 -2.95 1.61 8.00 -1.26 0.19 116.55 118.78 1xn6 n ASP 92 Ca 0.00 -0.41 -0.21 0.00 0.71 0.00 0.00 54.79 54.88 1xn6 n ASP 92 Cb 0.00 -2.80 0.04 0.00 -0.02 0.00 0.00 41.12 38.35 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 -2.25 -5.90 -4.10 -2.24 4.13 -1.26 -4.92 115.26 98.72 1xn6 n ASN 93 Ca -0.00 -0.33 -0.17 0.00 1.68 0.00 0.00 54.58 55.76 1xn6 n ASN 93 Cb 0.53 -4.66 -0.13 0.00 -1.54 0.00 0.00 39.78 33.98 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 -5.78 0.73 -0.03 3.52 1.02 0.51 0.04 119.74 119.75 1xn6 s LYS 94 Ca 0.35 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.56 1xn6 s LYS 94 Cb -0.15 -0.67 0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1xn6 s LYS 94 CO 0.43 0.16 0.17 0.99 -0.92 0.00 0.00 175.35 176.18 1xn6 s THR 95 N -0.97 0.04 -0.40 2.17 2.01 -0.91 -1.16 115.64 116.43 1xn6 s THR 95 Ca -0.02 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1xn6 s THR 95 Cb -0.08 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.10 1xn6 s THR 95 CO 0.01 -0.18 0.85 -0.70 -0.69 0.00 0.00 174.62 173.91 1xn6 s GLU 96 N -0.62 3.69 -0.25 4.92 2.12 -0.59 -2.45 118.70 125.52 1xn6 s GLU 96 Ca -0.07 0.30 -0.12 0.00 0.36 0.00 0.00 54.97 55.44 1xn6 s GLU 96 Cb -0.04 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.45 1xn6 s GLU 96 CO 0.01 -0.98 0.22 0.12 -0.54 0.00 0.00 175.26 174.09 1xn6 s PHE 97 N 3.35 3.29 -0.19 5.30 2.19 0.33 -2.27 117.98 129.98 1xn6 s PHE 97 Ca 0.34 0.27 -0.01 0.00 0.33 0.00 0.00 56.93 57.86 1xn6 s PHE 97 Cb -0.12 -2.37 0.05 0.00 -1.31 0.00 0.00 43.02 39.27 1xn6 s PHE 97 CO 0.20 -0.04 -0.02 0.99 1.83 0.00 0.00 175.22 178.18 1xn6 s THR 98 N 1.40 1.00 -0.34 0.12 2.01 -1.17 0.11 115.64 118.76 1xn6 s THR 98 Ca 0.10 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.13 1xn6 s THR 98 Cb -0.15 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.05 1xn6 s THR 98 CO 0.07 -0.05 0.72 -0.22 -0.69 0.00 0.00 174.62 174.45 1xn6 s LEU 99 N 1.66 4.16 -0.33 4.42 0.20 -0.76 0.29 118.68 128.32 1xn6 s LEU 99 Ca -0.02 0.36 -0.06 0.00 0.69 0.00 0.00 54.13 55.10 1xn6 s LEU 99 Cb -0.17 -2.93 0.04 0.00 -0.43 0.00 0.00 46.19 42.70 1xn6 s LEU 99 CO -0.07 -0.63 0.10 -0.63 -0.29 0.00 0.00 176.35 174.82 1xn6 s ILE 100 N 2.89 3.75 -0.12 6.68 -1.09 0.28 -1.12 121.20 132.47 1xn6 s ILE 100 Ca 0.29 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 1xn6 s ILE 100 Cb -0.14 -3.11 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1xn6 s ILE 100 CO 0.15 -0.15 -0.04 -2.28 -1.23 0.00 0.00 174.94 171.39 1xn6 s HIS 101 N 1.40 1.21 0.00 3.97 5.65 -0.77 0.82 115.29 127.58 1xn6 s HIS 101 Ca -0.02 -0.62 0.00 0.00 0.25 0.00 0.00 55.06 54.67 1xn6 s HIS 101 Cb -0.19 -1.09 0.00 0.00 -1.18 0.00 0.00 32.58 30.12 1xn6 s HIS 101 CO 0.03 -0.48 0.00 0.41 -0.65 0.00 0.00 174.74 174.05 1xn6 n GLY 102 N 5.01 5.68 0.00 1.59 0.00 -0.75 0.17 105.19 116.89 1xn6 n GLY 102 Ca -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 3.75 3.47 -0.02 0.00 -1.26 -3.12 105.19 110.79 1xn6 n GLY 103 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1xn6 n GLY 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn6 s TRP 104 N 0.00 -0.01 0.00 1.61 0.52 -1.26 -5.03 118.94 114.77 1xn6 s TRP 104 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 56.10 56.65 1xn6 s TRP 104 Cb 0.00 -3.22 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1xn6 s TRP 104 CO 0.00 -4.37 0.00 1.63 0.02 0.00 0.00 176.95 174.23 1xn6 n LYS 105 N -5.15 0.00 -4.02 4.98 5.02 -1.26 -4.91 118.16 112.83 1xn6 n LYS 105 Ca 0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 1xn6 n LYS 105 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.52 1xn6 n LYS 105 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xn6 s HIS 106 N 0.00 3.34 -0.81 2.13 3.76 -1.26 0.31 115.29 122.76 1xn6 s HIS 106 Ca 0.00 0.25 -0.25 0.00 -0.15 0.00 0.00 55.06 54.90 1xn6 s HIS 106 Cb 0.00 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.70 1xn6 s HIS 106 CO 0.00 0.39 1.62 -1.25 -0.85 0.00 0.00 174.74 174.65 1xn6 s PRO 107 N -0.27 2.99 0.00 8.40 0.04 -1.26 -3.54 135.00 141.36 1xn6 s PRO 107 Ca 0.09 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1xn6 s PRO 107 Cb -0.12 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1xn6 s PRO 107 CO 0.01 -2.59 0.00 -3.47 0.04 0.00 0.00 177.00 170.99 1xn6 n ASP 108 N 11.18 0.00 -4.77 6.66 2.03 -1.26 -5.05 116.55 125.34 1xn6 n ASP 108 Ca 0.23 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.14 1xn6 n ASP 108 Cb 0.50 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.00 3.73 0.31 -0.67 -1.05 -1.23 -4.79 118.70 115.00 1xn6 s GLU 109 Ca 0.00 2.35 0.02 0.00 -0.15 0.00 0.00 54.97 57.19 1xn6 s GLU 109 Cb 0.00 -2.66 -0.03 0.00 -0.44 0.00 0.00 34.13 31.00 1xn6 s GLU 109 CO 0.00 -0.76 0.49 0.42 0.95 0.00 0.00 175.26 176.36 1xn6 s ILE 110 N -1.22 5.11 0.23 1.83 -1.09 -1.26 -4.32 121.20 120.49 1xn6 s ILE 110 Ca 0.60 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1xn6 s ILE 110 Cb -0.42 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1xn6 s ILE 110 CO 0.54 -0.47 0.39 -0.76 -1.23 0.00 0.00 174.94 173.41 1xn6 s LEU 111 N -4.21 4.24 -0.08 2.97 1.02 -1.26 -4.97 118.68 116.40 1xn6 s LEU 111 Ca 0.38 0.24 -0.24 0.00 0.02 0.00 0.00 54.13 54.53 1xn6 s LEU 111 Cb -0.09 -3.03 -0.20 0.00 0.02 0.00 0.00 46.19 42.89 1xn6 s LEU 111 CO 0.34 -0.08 0.90 1.55 0.02 0.00 0.00 176.35 179.07 1xn6 h PRO 112 N 1.46 -0.06 0.00 1.29 0.13 -1.96 -2.70 132.00 130.15 1xn6 h PRO 112 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1xn6 h PRO 112 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1xn6 h PRO 112 CO 0.64 0.57 -0.55 0.87 -0.23 0.00 0.00 178.00 179.30 1xn6 h LYS 113 N -0.81 0.00 -0.14 0.86 1.57 -1.94 -3.38 116.57 112.74 1xn6 h LYS 113 Ca -0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1xn6 h LYS 113 Cb 0.66 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 1xn6 h LYS 113 CO 0.01 0.79 -0.41 0.00 -0.57 0.00 0.00 179.45 179.28 1xn6 h ALA 114 N -0.40 -0.76 -1.31 3.86 0.00 -1.76 -3.47 119.26 115.42 1xn6 h ALA 114 Ca -0.14 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xn6 h ALA 114 Cb 0.96 0.92 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 1xn6 h ALA 114 CO -0.08 -0.91 -0.45 -1.71 0.00 0.00 0.00 179.25 176.10 1xn6 n ASN 115 N -4.68 -2.93 -0.60 0.00 5.15 -1.02 -4.97 115.26 106.21 1xn6 n ASN 115 Ca -0.04 0.57 0.07 0.00 -0.60 0.00 0.00 54.58 54.59 1xn6 n ASN 115 Cb 0.28 -1.70 -0.04 0.00 -0.53 0.00 0.00 39.78 37.79 1xn6 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xn6 n ALA 116 N -2.65 -1.57 -1.67 5.20 0.00 -1.26 -4.75 120.51 113.82 1xn6 n ALA 116 Ca -0.03 0.36 -0.53 0.00 0.00 0.00 0.00 53.44 53.25 1xn6 n ALA 116 Cb 0.24 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.06 1.49 0.33 0.00 5.02 -1.26 -4.41 118.16 116.28 1xn6 n LYS 117 Ca -0.03 0.54 0.22 0.00 -2.02 0.00 0.00 58.31 57.02 1xn6 n LYS 117 Cb 0.28 -2.26 1.17 0.00 -0.02 0.00 0.00 35.03 34.20 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 6.68 0.00 0.08 4.39 4.64 -1.86 -0.75 113.55 126.74 1xn6 h SER 118 Ca -0.47 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.62 1xn6 h SER 118 Cb 1.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.42 1xn6 h SER 118 CO 0.90 0.00 -0.96 0.77 -0.87 0.00 0.00 176.83 176.67 1xn6 h SER 119 N 0.00 0.71 -0.34 4.97 4.64 -1.91 -1.95 113.55 119.66 1xn6 h SER 119 Ca -0.00 -0.82 -0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1xn6 h SER 119 Cb 0.02 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1xn6 h SER 119 CO 0.00 1.45 0.20 0.40 -0.87 0.00 0.00 176.83 178.01 1xn6 h ILE 120 N 0.05 1.13 -0.12 0.95 2.04 -1.52 0.12 117.51 120.15 1xn6 h ILE 120 Ca -0.14 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1xn6 h ILE 120 Cb 1.67 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1xn6 h ILE 120 CO 0.19 0.13 0.07 0.40 0.00 0.00 0.00 178.15 178.93 1xn6 h ILE 121 N 0.44 1.09 -0.89 -0.67 1.08 -1.46 0.83 117.51 117.93 1xn6 h ILE 121 Ca 0.12 -0.24 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 1xn6 h ILE 121 Cb 0.03 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 1xn6 h ILE 121 CO -0.02 0.08 0.54 -0.09 -0.69 0.00 0.00 178.15 177.97 1xn6 h ARG 122 N 0.11 0.87 0.09 2.37 2.43 -1.03 1.25 114.38 120.47 1xn6 h ARG 122 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xn6 h ARG 122 Cb 0.07 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1xn6 h ARG 122 CO -0.01 0.58 -0.05 0.22 -1.51 0.00 0.00 179.97 179.20 1xn6 h ASP 123 N 0.90 -0.11 -0.41 -3.80 1.82 -0.28 0.61 116.42 115.15 1xn6 h ASP 123 Ca 0.43 -0.44 0.06 0.00 -0.39 0.00 0.00 57.03 56.68 1xn6 h ASP 123 Cb 0.36 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.35 1xn6 h ASP 123 CO -0.24 0.43 0.11 0.03 -1.61 0.00 0.00 179.24 177.96 1xn6 h ARG 124 N -0.70 0.24 0.17 0.28 3.08 0.12 1.00 114.38 118.57 1xn6 h ARG 124 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xn6 h ARG 124 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1xn6 h ARG 124 CO 0.02 0.16 -0.08 1.98 -1.07 0.00 0.00 179.97 180.98 1xn6 h MET 125 N 0.25 -0.22 -0.08 0.04 4.05 0.15 0.69 114.93 119.81 1xn6 h MET 125 Ca 0.19 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 1xn6 h MET 125 Cb 0.21 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 1xn6 h MET 125 CO -0.23 0.18 -0.18 1.03 0.23 0.00 0.00 176.91 177.93 1xn6 h SER 126 N -0.69 -0.56 0.35 1.39 0.87 0.44 1.12 113.55 116.48 1xn6 h SER 126 Ca -0.02 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1xn6 h SER 126 Cb 0.49 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1xn6 h SER 126 CO 0.04 -0.24 -0.21 1.23 -0.53 0.00 0.00 176.83 177.12 1xn6 h GLY 127 N -0.26 -0.55 2.00 5.77 0.00 0.98 0.32 103.07 111.33 1xn6 h GLY 127 Ca 0.08 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1xn6 h GLY 127 CO -0.23 -0.21 -0.04 -1.33 0.00 0.00 0.00 176.54 174.72 1xn6 h GLY 128 N -0.53 0.00 1.15 4.60 0.00 -0.55 -0.91 103.07 106.82 1xn6 h GLY 128 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1xn6 h GLY 128 CO 0.05 0.00 -0.99 1.49 0.00 0.00 0.00 176.54 177.09 1xn6 h TRP 129 N 0.00 1.00 -0.44 5.60 -0.00 0.21 -0.24 115.95 122.08 1xn6 h TRP 129 Ca -0.00 -0.54 0.04 0.00 -0.00 0.00 0.00 58.89 58.39 1xn6 h TRP 129 Cb 0.10 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.11 1xn6 h TRP 129 CO 0.00 1.38 0.21 0.28 -0.00 0.00 0.00 178.44 180.30 1xn6 h VAL 130 N 0.33 0.94 0.08 1.49 2.07 0.96 1.29 116.25 123.41 1xn6 h VAL 130 Ca -0.12 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xn6 h VAL 130 Cb 1.65 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1xn6 h VAL 130 CO 0.19 0.08 -0.04 0.00 0.02 0.00 0.00 177.57 177.82 1xn6 h ALA 131 N 1.25 -0.11 -0.76 1.67 0.00 -1.36 -0.56 119.26 119.39 1xn6 h ALA 131 Ca 0.19 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1xn6 h ALA 131 Cb 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1xn6 h ALA 131 CO -0.15 -0.37 0.41 0.82 0.00 0.00 0.00 179.25 179.96 1xn6 h ILE 132 N -0.49 0.87 0.00 0.00 2.04 -0.67 1.35 117.51 120.62 1xn6 h ILE 132 Ca -0.01 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1xn6 h ILE 132 Cb 0.41 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1xn6 h ILE 132 CO 0.02 0.13 -0.23 0.58 0.00 0.00 0.00 178.15 178.64 1xn6 h VAL 133 N 0.69 1.13 -0.67 1.67 2.07 0.18 -1.44 116.25 119.87 1xn6 h VAL 133 Ca 0.37 -0.81 -0.48 0.00 0.82 0.00 0.00 66.70 66.61 1xn6 h VAL 133 Cb 0.37 1.44 -0.33 0.00 -1.52 0.00 0.00 31.29 31.25 1xn6 h VAL 133 CO -0.26 0.23 -0.42 0.59 0.02 0.00 0.00 177.57 177.73 1xn6 n ASN 134 N -4.20 4.79 0.00 0.57 3.02 0.11 -3.23 115.26 116.31 1xn6 n ASN 134 Ca -0.02 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.75 1xn6 n ASN 134 Cb 0.29 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.83 0.00 -0.00 3.52 -0.58 0.42 -4.88 120.64 118.29 1xn6 n GLU 135 Ca 0.44 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1xn6 n GLU 135 Cb 0.90 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.77 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 -0.93 3.49 1.57 -1.48 -3.17 116.57 116.06 1xn6 h LYS 136 Ca 0.00 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.99 1xn6 h LYS 136 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.13 1xn6 h LYS 136 CO 0.00 0.00 -0.15 -0.11 -0.57 0.00 0.00 179.45 178.62 1xn6 n LEU 137 N -2.12 -0.26 -0.09 2.94 0.00 -1.06 0.19 117.00 116.60 1xn6 n LEU 137 Ca -0.00 1.59 -0.06 0.00 0.00 0.00 0.00 56.01 57.54 1xn6 n LEU 137 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 43.42 42.91 1xn6 n LEU 137 CO 0.00 -1.55 0.73 0.50 0.00 0.00 0.00 177.39 177.06 1xn6 h LYS 138 N 0.00 -0.14 -0.18 1.96 3.64 -1.72 1.34 116.57 121.48 1xn6 h LYS 138 Ca 0.48 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1xn6 h LYS 138 Cb 0.83 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1xn6 h LYS 138 CO -0.93 -0.09 -0.38 0.87 -2.27 0.00 0.00 179.45 176.65 1xn6 h LYS 139 N -0.14 0.39 0.22 1.90 1.79 0.20 0.55 116.57 121.48 1xn6 h LYS 139 Ca 0.17 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1xn6 h LYS 139 Cb 0.41 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1xn6 h LYS 139 CO -0.43 0.72 -0.10 0.28 -1.08 0.00 0.00 179.45 178.84 1xn6 h VAL 140 N 0.33 0.83 0.40 0.50 2.07 0.46 1.47 116.25 122.31 1xn6 h VAL 140 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1xn6 h VAL 140 Cb 0.82 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1xn6 h VAL 140 CO 0.07 0.05 -0.19 0.58 0.02 0.00 0.00 177.57 178.10 1xn6 h VAL 141 N -0.40 0.40 -0.77 2.57 2.07 0.17 -3.10 116.25 117.20 1xn6 h VAL 141 Ca -0.03 -0.62 0.14 0.00 0.82 0.00 0.00 66.70 67.01 1xn6 h VAL 141 Cb 0.31 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1xn6 h VAL 141 CO 0.05 0.08 0.51 -0.08 0.02 0.00 0.00 177.57 178.15 1xn6 h GLU 142 N -0.98 0.47 0.00 1.57 4.81 0.08 -3.48 114.58 117.05 1xn6 h GLU 142 Ca -0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xn6 h GLU 142 Cb 0.54 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xn6 h GLU 142 CO 0.09 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 179.09