#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn5 n THR 2 N 0.00 0.00 -1.11 3.17 -2.24 -1.26 -5.08 114.28 107.75 1xn5 n THR 2 Ca 0.00 -0.63 0.02 0.00 -2.27 0.00 0.00 64.05 61.17 1xn5 n THR 2 Cb 0.00 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1xn5 n THR 2 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xn5 n ARG 3 N -0.19 -0.28 -3.91 -0.78 1.85 -1.26 -4.88 116.66 107.21 1xn5 n ARG 3 Ca 0.01 0.18 -0.11 0.00 -1.00 0.00 0.00 57.85 56.93 1xn5 n ARG 3 Cb 0.19 -0.34 -0.13 0.00 -1.05 0.00 0.00 32.46 31.13 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xn5 s LEU 4 N 0.00 2.00 1.11 2.89 1.43 -1.25 -4.25 118.68 120.62 1xn5 s LEU 4 Ca 0.00 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 1xn5 s LEU 4 Cb 0.00 0.13 0.26 0.00 0.03 0.00 0.00 46.19 46.61 1xn5 s LEU 4 CO 0.00 -0.14 1.24 -2.16 0.23 0.00 0.00 176.35 175.52 1xn5 s PRO 5 N -0.61 -0.57 0.56 1.29 0.04 -1.26 -4.97 135.00 129.48 1xn5 s PRO 5 Ca -0.07 -0.36 -0.08 0.00 0.04 0.00 0.00 61.00 60.53 1xn5 s PRO 5 Cb -0.04 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.77 1xn5 s PRO 5 CO -0.00 -3.23 0.91 -0.51 0.04 0.00 0.00 177.00 174.21 1xn5 s ASP 6 N -4.49 6.11 -1.03 6.66 1.01 -1.26 -4.99 116.67 118.68 1xn5 s ASP 6 Ca 0.74 1.10 -0.02 0.00 0.71 0.00 0.00 52.55 55.08 1xn5 s ASP 6 Cb -0.05 -2.24 0.32 0.00 1.01 0.00 0.00 42.92 41.96 1xn5 s ASP 6 CO 0.55 -0.80 1.69 -0.38 0.21 0.00 0.00 175.17 176.44 1xn5 n ILE 7 N -2.54 5.78 -2.99 0.77 5.41 -0.46 -4.99 119.36 120.34 1xn5 n ILE 7 Ca 0.04 -5.96 -0.40 0.00 1.00 0.00 0.00 62.75 57.43 1xn5 n ILE 7 Cb 0.55 -1.71 -0.05 0.00 -0.71 0.00 0.00 39.64 37.73 1xn5 n ILE 7 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn5 s LYS 8 N -3.84 4.46 0.26 0.38 2.20 -1.26 -3.20 119.74 118.74 1xn5 s LYS 8 Ca 0.37 0.99 0.01 0.00 -0.36 0.00 0.00 55.97 56.98 1xn5 s LYS 8 Cb 0.15 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1xn5 s LYS 8 CO -0.06 0.12 0.10 0.15 -0.36 0.00 0.00 175.35 175.30 1xn5 s LYS 9 N 0.57 1.41 -0.18 4.03 3.01 -0.04 -5.01 119.74 123.53 1xn5 s LYS 9 Ca 0.39 -1.77 -0.14 0.00 -1.01 0.00 0.00 55.97 53.45 1xn5 s LYS 9 Cb -0.19 -0.22 0.05 0.00 -1.01 0.00 0.00 37.83 36.46 1xn5 s LYS 9 CO 0.21 -0.31 0.47 -2.00 0.51 0.00 0.00 175.35 174.23 1xn5 s GLU 10 N -4.03 0.51 -0.03 1.68 -6.30 -1.26 -1.59 118.70 107.67 1xn5 s GLU 10 Ca 0.38 0.76 -0.06 0.00 -2.50 0.00 0.00 54.97 53.55 1xn5 s GLU 10 Cb 0.08 0.15 0.01 0.00 0.00 0.00 0.00 34.13 34.36 1xn5 s GLU 10 CO 0.14 -0.11 0.14 0.14 0.02 0.00 0.00 175.26 175.59 1xn5 s VAL 11 N 0.82 0.04 0.02 3.70 -7.23 0.21 -5.00 120.40 112.96 1xn5 s VAL 11 Ca -0.05 -0.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.84 1xn5 s VAL 11 Cb -0.05 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 1xn5 s VAL 11 CO -0.06 -0.18 -0.07 0.00 -0.31 0.00 0.00 175.10 174.48 1xn5 s ARG 12 N -0.59 2.51 0.07 4.82 1.70 -1.26 0.11 118.95 126.30 1xn5 s ARG 12 Ca -0.07 -0.76 0.06 0.00 -0.47 0.00 0.00 55.73 54.49 1xn5 s ARG 12 Cb -0.04 -2.48 -0.03 0.00 -0.57 0.00 0.00 34.95 31.83 1xn5 s ARG 12 CO 0.01 0.59 -0.16 -0.06 -1.08 0.00 0.00 175.30 174.60 1xn5 s PHE 13 N -1.03 1.38 -0.65 5.89 0.08 0.15 -4.95 117.98 118.84 1xn5 s PHE 13 Ca 0.18 -0.42 -0.18 0.00 0.12 0.00 0.00 56.93 56.64 1xn5 s PHE 13 Cb -0.11 -0.79 0.13 0.00 -0.57 0.00 0.00 43.02 41.68 1xn5 s PHE 13 CO 0.09 0.09 0.73 1.21 -0.10 0.00 0.00 175.22 177.23 1xn5 s ASN 14 N -1.57 6.31 0.00 1.36 2.47 -1.26 -0.23 114.94 122.02 1xn5 s ASN 14 Ca 0.01 -1.72 0.00 0.00 0.42 0.00 0.00 52.86 51.57 1xn5 s ASN 14 Cb -0.09 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1xn5 s ASN 14 CO 0.02 -1.00 0.00 0.00 -3.72 0.00 0.00 177.10 172.40 1xn5 n ALA 15 N 5.89 0.00 -2.40 1.71 0.00 -1.26 -4.93 120.51 119.52 1xn5 n ALA 15 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1xn5 n ALA 15 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1xn5 n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xn5 s PRO 16 N -2.00 4.47 0.52 0.00 0.04 -1.26 -3.44 135.00 133.33 1xn5 s PRO 16 Ca 0.00 1.72 0.25 0.00 0.04 0.00 0.00 61.00 63.02 1xn5 s PRO 16 Cb 0.00 -3.35 1.38 0.00 0.04 0.00 0.00 34.50 32.57 1xn5 s PRO 16 CO 0.00 -0.19 1.98 0.97 0.04 0.00 0.00 177.00 179.80 1xn5 h ILE 17 N 4.43 0.72 -0.89 0.56 2.10 -1.96 0.15 117.51 122.62 1xn5 h ILE 17 Ca -0.42 -0.01 0.09 0.00 1.08 0.00 0.00 64.86 65.60 1xn5 h ILE 17 Cb 1.21 0.68 -0.07 0.00 -1.09 0.00 0.00 36.82 37.56 1xn5 h ILE 17 CO 0.79 0.01 0.54 -0.08 -1.08 0.00 0.00 178.15 178.33 1xn5 h GLU 18 N 0.03 0.89 0.37 2.19 4.22 -1.98 1.30 114.58 121.61 1xn5 h GLU 18 Ca 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.65 1xn5 h GLU 18 Cb 1.07 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1xn5 h GLU 18 CO -0.01 0.59 -0.18 -0.22 -2.18 0.00 0.00 179.01 177.01 1xn5 h LYS 19 N 0.92 -0.48 -0.63 1.92 3.64 -1.08 0.78 116.57 121.63 1xn5 h LYS 19 Ca 0.42 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.91 1xn5 h LYS 19 Cb 0.33 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1xn5 h LYS 19 CO -0.23 -0.16 0.30 0.28 -2.27 0.00 0.00 179.45 177.37 1xn5 h VAL 20 N -0.86 0.87 -0.01 2.00 2.07 -1.20 0.56 116.25 119.69 1xn5 h VAL 20 Ca -0.05 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1xn5 h VAL 20 Cb 0.54 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1xn5 h VAL 20 CO 0.08 0.10 -0.11 -0.25 0.02 0.00 0.00 177.57 177.41 1xn5 h TRP 21 N 0.54 -0.29 0.00 1.57 -0.00 0.17 0.61 115.95 118.55 1xn5 h TRP 21 Ca 0.30 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.19 1xn5 h TRP 21 Cb 0.29 0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.58 1xn5 h TRP 21 CO -0.12 -0.17 -0.05 1.49 -0.00 0.00 0.00 178.44 179.59 1xn5 h GLU 22 N -0.19 0.00 0.00 2.65 4.81 0.39 0.77 114.58 123.00 1xn5 h GLU 22 Ca 0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1xn5 h GLU 22 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xn5 h GLU 22 CO -0.12 0.05 -0.38 0.00 -0.73 0.00 0.00 179.01 177.83 1xn5 h ALA 23 N 1.95 0.81 -0.25 2.92 0.00 0.25 -2.62 119.26 122.32 1xn5 h ALA 23 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 23 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xn5 h ALA 23 CO 0.01 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.63 1xn5 n VAL 24 N -2.96 1.49 -0.02 0.00 0.24 0.19 -2.01 118.33 115.25 1xn5 n VAL 24 Ca 0.02 -1.38 -0.02 0.00 -2.04 0.00 0.00 64.34 60.92 1xn5 n VAL 24 Cb 0.55 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 1xn5 n VAL 24 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xn5 n SER 25 N -0.08 3.90 -4.95 -1.34 3.41 0.24 -4.97 113.62 109.82 1xn5 n SER 25 Ca 0.14 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 1xn5 n SER 25 Cb 0.58 0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1xn5 n SER 25 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xn5 s THR 26 N -2.10 4.52 -0.08 6.66 -4.23 -0.99 -3.22 115.64 116.21 1xn5 s THR 26 Ca -0.03 -0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 59.68 1xn5 s THR 26 Cb 0.01 -3.65 -0.26 0.00 1.34 0.00 0.00 72.50 69.95 1xn5 s THR 26 CO 0.15 -0.42 0.93 0.28 -0.54 0.00 0.00 174.62 175.02 1xn5 h SER 27 N 0.62 0.20 -0.65 3.99 0.02 -1.87 -1.87 113.55 113.99 1xn5 h SER 27 Ca -0.48 -0.87 0.02 0.00 -0.84 0.00 0.00 61.79 59.62 1xn5 h SER 27 Cb 1.24 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1xn5 h SER 27 CO 0.59 1.05 0.43 -0.08 -1.14 0.00 0.00 176.83 177.68 1xn5 h GLU 28 N -0.62 0.82 -0.07 3.45 4.22 -1.92 1.20 114.58 121.66 1xn5 h GLU 28 Ca -0.04 -0.05 -0.19 0.00 0.08 0.00 0.00 59.36 59.16 1xn5 h GLU 28 Cb 1.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xn5 h GLU 28 CO 0.05 0.54 -0.76 0.78 -2.18 0.00 0.00 179.01 177.45 1xn5 h GLY 29 N 0.84 0.44 0.16 1.92 0.00 -1.78 -2.20 103.07 102.45 1xn5 h GLY 29 Ca 0.25 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1xn5 h GLY 29 CO -0.06 0.57 -0.03 1.41 0.00 0.00 0.00 176.54 178.42 1xn5 h LEU 30 N 0.26 -0.08 -1.96 3.11 3.38 -0.42 -3.14 115.31 116.46 1xn5 h LEU 30 Ca -0.04 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1xn5 h LEU 30 Cb 1.34 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1xn5 h LEU 30 CO 0.13 0.61 0.15 0.00 0.09 0.00 0.00 178.44 179.42 1xn5 h ALA 31 N -0.34 1.14 0.00 1.53 0.00 0.16 1.72 119.26 123.46 1xn5 h ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xn5 h ALA 31 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xn5 h ALA 31 CO 0.02 -0.14 0.00 0.35 0.00 0.00 0.00 179.25 179.48 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.34 -3.34 116.94 115.30 1xn5 h PHE 32 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xn5 h PHE 32 Cb 0.31 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1xn5 h PHE 32 CO 0.00 0.00 -0.14 -2.67 -2.02 0.00 0.00 178.31 173.48 1xn5 n TRP 33 N -3.01 0.00 0.00 0.41 4.27 0.10 -4.94 117.44 114.27 1xn5 n TRP 33 Ca -0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 1xn5 n TRP 33 Cb 0.17 0.42 0.00 0.00 -1.36 0.00 0.00 31.31 30.53 1xn5 n TRP 33 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn5 n PHE 34 N -2.55 0.00 -3.60 -2.67 7.35 0.55 -4.95 117.46 111.59 1xn5 n PHE 34 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1xn5 n PHE 34 Cb 0.07 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.89 1xn5 n PHE 34 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn5 s MET 35 N -0.07 0.52 0.23 -4.13 -1.94 -1.22 -4.88 119.30 107.81 1xn5 s MET 35 Ca 0.00 -0.23 -0.32 0.00 -1.71 0.00 0.00 55.69 53.44 1xn5 s MET 35 Cb 0.00 0.21 -0.13 0.00 2.01 0.00 0.00 34.83 36.92 1xn5 s MET 35 CO 0.00 -0.23 1.49 0.39 -0.01 0.00 0.00 175.02 176.66 1xn5 n GLU 36 N -0.25 2.20 -2.05 2.03 -0.58 -1.26 -2.89 120.64 117.84 1xn5 n GLU 36 Ca -0.04 0.79 -0.03 0.00 -0.42 0.00 0.00 57.16 57.45 1xn5 n GLU 36 Cb 0.60 -2.49 0.01 0.00 -0.57 0.00 0.00 31.44 28.99 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xn5 n ASN 37 N 2.47 -0.84 -1.57 1.62 0.23 -1.26 -1.77 115.26 114.15 1xn5 n ASN 37 Ca 0.12 -1.60 0.02 0.00 -0.53 0.00 0.00 54.58 52.60 1xn5 n ASN 37 Cb 0.32 1.40 0.06 0.00 -2.08 0.00 0.00 39.78 39.48 1xn5 n ASN 37 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1xn5 n ASP 38 N -1.24 1.48 -4.69 0.53 -0.08 -1.12 -4.78 116.55 106.65 1xn5 n ASP 38 Ca -0.03 -2.50 -0.34 0.00 -1.51 0.00 0.00 54.79 50.41 1xn5 n ASP 38 Cb 0.22 -0.38 0.12 0.00 2.34 0.00 0.00 41.12 43.42 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1xn5 n LEU 39 N -0.09 4.55 -0.77 -2.67 7.94 -1.26 -4.79 117.00 119.91 1xn5 n LEU 39 Ca 0.11 0.61 -0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1xn5 n LEU 39 Cb 0.99 -1.51 -0.01 0.00 0.53 0.00 0.00 43.42 43.42 1xn5 n LEU 39 CO 0.01 -1.64 0.22 0.29 -1.11 0.00 0.00 177.39 175.16 1xn5 n LYS 40 N -3.13 0.00 -3.70 1.96 5.02 -1.26 -3.84 118.16 113.21 1xn5 n LYS 40 Ca 0.14 -0.94 -0.23 0.00 -2.02 0.00 0.00 58.31 55.26 1xn5 n LYS 40 Cb 0.50 -0.14 0.01 0.00 -0.02 0.00 0.00 35.03 35.38 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n ALA 41 N 0.10 -2.72 -3.26 7.82 0.00 -1.20 -4.97 120.51 116.28 1xn5 n ALA 41 Ca -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.13 1xn5 n ALA 41 Cb 0.74 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1xn5 n ALA 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1xn5 s GLU 42 N -4.97 0.45 0.24 0.00 2.12 -1.26 -4.95 118.70 110.33 1xn5 s GLU 42 Ca 0.09 0.76 -0.30 0.00 0.36 0.00 0.00 54.97 55.88 1xn5 s GLU 42 Cb -0.04 0.01 -0.15 0.00 0.26 0.00 0.00 34.13 34.21 1xn5 s GLU 42 CO 0.88 -0.63 0.97 -2.37 -0.54 0.00 0.00 175.26 173.57 1xn5 n THR 43 N 5.40 1.65 -2.05 -1.70 5.66 -1.26 -1.04 114.28 120.93 1xn5 n THR 43 Ca -0.02 -0.41 -0.10 0.00 -3.05 0.00 0.00 64.05 60.47 1xn5 n THR 43 Cb 0.51 -0.77 -0.01 0.00 -1.55 0.00 0.00 70.33 68.50 1xn5 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xn5 n GLY 44 N 1.58 0.14 3.23 1.09 0.00 -0.11 -4.97 105.19 106.16 1xn5 n GLY 44 Ca 0.13 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1xn5 n GLY 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xn5 s HIS 45 N -2.47 3.77 -0.33 1.61 5.04 -0.20 -4.91 115.29 117.80 1xn5 s HIS 45 Ca 0.00 -2.48 -0.27 0.00 -1.54 0.00 0.00 55.06 50.77 1xn5 s HIS 45 Cb 0.00 -3.56 -0.05 0.00 0.04 0.00 0.00 32.58 29.01 1xn5 s HIS 45 CO 0.00 -0.90 2.24 -3.38 -2.34 0.00 0.00 174.74 170.36 1xn5 s HIS 46 N -0.40 1.19 -0.04 3.88 -3.43 -1.26 -3.75 115.29 111.49 1xn5 s HIS 46 Ca 0.21 0.91 0.02 0.00 -0.80 0.00 0.00 55.06 55.40 1xn5 s HIS 46 Cb -0.12 -3.83 -0.03 0.00 -1.43 0.00 0.00 32.58 27.17 1xn5 s HIS 46 CO -0.08 -3.42 -0.08 -0.59 -2.00 0.00 0.00 174.74 168.57 1xn5 s PHE 47 N 9.58 2.89 0.41 0.38 -0.12 -0.07 -4.91 117.98 126.15 1xn5 s PHE 47 Ca 0.97 -0.02 -0.21 0.00 -0.05 0.00 0.00 56.93 57.62 1xn5 s PHE 47 Cb -0.26 -1.66 -0.11 0.00 -0.63 0.00 0.00 43.02 40.36 1xn5 s PHE 47 CO 0.31 0.33 0.94 -1.01 -0.05 0.00 0.00 175.22 175.74 1xn5 s HIS 48 N -0.87 3.35 -0.09 3.49 3.76 -1.26 -0.18 115.29 123.49 1xn5 s HIS 48 Ca 0.14 1.61 0.03 0.00 -0.15 0.00 0.00 55.06 56.69 1xn5 s HIS 48 Cb -0.11 -2.84 0.01 0.00 1.11 0.00 0.00 32.58 30.75 1xn5 s HIS 48 CO 0.03 -0.07 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.50 1xn5 s LEU 49 N -3.07 1.88 -0.96 0.89 2.96 0.16 -2.80 118.68 117.75 1xn5 s LEU 49 Ca 0.61 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1xn5 s LEU 49 Cb -0.10 -1.17 0.24 0.00 0.50 0.00 0.00 46.19 45.66 1xn5 s LEU 49 CO 0.14 0.09 0.88 -1.10 -1.32 0.00 0.00 176.35 175.04 1xn5 s GLN 50 N 0.59 3.54 0.77 1.98 -0.21 -0.73 -0.19 119.66 125.41 1xn5 s GLN 50 Ca -0.15 -3.28 -0.08 0.00 0.02 0.00 0.00 55.36 51.87 1xn5 s GLN 50 Cb -0.17 -4.12 0.11 0.00 1.00 0.00 0.00 33.01 29.83 1xn5 s GLN 50 CO 0.05 -1.26 1.09 -1.54 -2.12 0.00 0.00 175.29 171.51 1xn5 s SER 51 N 0.23 4.30 0.29 5.90 1.04 -1.25 -4.20 113.70 120.01 1xn5 s SER 51 Ca 0.29 0.24 0.26 0.00 0.48 0.00 0.00 55.95 57.21 1xn5 s SER 51 Cb -0.08 -0.68 0.89 0.00 0.10 0.00 0.00 66.02 66.25 1xn5 s SER 51 CO -0.11 -1.93 1.76 1.55 0.98 0.00 0.00 173.24 175.48 1xn5 h PRO 52 N -0.84 0.00 -2.07 4.02 0.13 -2.00 -3.27 132.00 127.97 1xn5 h PRO 52 Ca -0.43 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.99 1xn5 h PRO 52 Cb 1.29 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.09 1xn5 h PRO 52 CO 0.51 0.00 0.37 1.19 -0.23 0.00 0.00 178.00 179.84 1xn5 n PHE 53 N -2.44 3.22 -0.27 1.56 3.72 -1.26 -5.01 117.46 116.98 1xn5 n PHE 53 Ca 0.03 -2.91 0.01 0.00 -0.05 0.00 0.00 57.45 54.53 1xn5 n PHE 53 Cb 0.35 -0.85 -0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn5 n GLY 54 N -0.30 -2.97 3.76 1.37 0.00 -1.23 -4.92 105.19 100.90 1xn5 n GLY 54 Ca 0.44 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1xn5 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn5 s PRO 55 N -4.05 4.67 -0.01 1.61 0.04 -1.26 -3.78 135.00 132.22 1xn5 s PRO 55 Ca 0.00 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1xn5 s PRO 55 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1xn5 s PRO 55 CO 0.00 0.25 0.03 -1.12 0.04 0.00 0.00 177.00 176.20 1xn5 s SER 56 N -0.91 -0.01 0.83 6.66 0.01 0.73 -4.98 113.70 116.02 1xn5 s SER 56 Ca 0.44 0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.60 1xn5 s SER 56 Cb -0.31 0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.08 1xn5 s SER 56 CO 0.40 -0.05 1.11 -2.16 0.41 0.00 0.00 173.24 172.95 1xn5 s PRO 57 N -0.14 1.85 0.22 12.44 0.04 -1.26 0.39 135.00 148.54 1xn5 s PRO 57 Ca -0.02 0.55 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 1xn5 s PRO 57 Cb -0.01 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1xn5 s PRO 57 CO -0.00 -1.76 0.48 0.00 0.04 0.00 0.00 177.00 175.75 1xn5 s GLN 59 N -3.96 0.43 -0.04 0.00 0.74 -1.25 -0.90 119.66 114.69 1xn5 s GLN 59 Ca 0.17 0.72 -0.28 0.00 0.05 0.00 0.00 55.36 56.02 1xn5 s GLN 59 Cb -0.01 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 1xn5 s GLN 59 CO 0.04 -0.12 0.91 0.08 -0.55 0.00 0.00 175.29 175.65 1xn5 s VAL 60 N 0.97 4.90 -0.15 1.34 1.01 -1.25 -1.43 120.40 125.80 1xn5 s VAL 60 Ca -0.06 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.78 1xn5 s VAL 60 Cb -0.06 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.83 1xn5 s VAL 60 CO -0.08 0.16 0.25 0.35 0.00 0.00 0.00 175.10 175.78 1xn5 n THR 61 N 3.98 1.70 -3.72 3.92 -2.24 -1.17 -0.93 114.28 115.82 1xn5 n THR 61 Ca 0.04 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1xn5 n THR 61 Cb 0.51 -1.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.03 1xn5 n THR 61 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xn5 s ASP 62 N -6.84 -0.42 -0.29 3.42 1.01 -1.23 -4.72 116.67 107.60 1xn5 s ASP 62 Ca -0.24 0.77 0.01 0.00 0.71 0.00 0.00 52.55 53.80 1xn5 s ASP 62 Cb 0.07 0.69 0.18 0.00 1.01 0.00 0.00 42.92 44.87 1xn5 s ASP 62 CO 0.74 -0.17 0.55 0.54 0.21 0.00 0.00 175.17 177.04 1xn5 s VAL 63 N 0.98 -0.91 -0.28 -1.27 0.11 -1.26 -0.72 120.40 117.05 1xn5 s VAL 63 Ca -0.06 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1xn5 s VAL 63 Cb -0.07 -0.97 0.17 0.00 -1.53 0.00 0.00 36.38 33.98 1xn5 s VAL 63 CO -0.08 -0.04 0.49 -0.70 -3.33 0.00 0.00 175.10 171.44 1xn5 s GLU 64 N 2.78 0.46 0.42 1.54 2.56 -1.10 -4.47 118.70 120.88 1xn5 s GLU 64 Ca 0.16 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.70 1xn5 s GLU 64 Cb -0.14 -0.02 0.00 0.00 2.00 0.00 0.00 34.13 35.98 1xn5 s GLU 64 CO -0.22 -0.81 0.00 0.54 -0.56 0.00 0.00 175.26 174.21 1xn5 n ARG 65 N 5.39 -2.50 -0.98 4.30 1.74 -1.26 -3.81 116.66 119.54 1xn5 n ARG 65 Ca -0.00 1.93 -0.29 0.00 -0.77 0.00 0.00 57.85 58.72 1xn5 n ARG 65 Cb 0.51 -3.08 -0.02 0.00 -1.02 0.00 0.00 32.46 28.84 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xn5 n PRO 66 N -3.88 2.77 0.00 5.56 -0.04 -1.26 -3.35 135.00 134.79 1xn5 n PRO 66 Ca -0.04 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1xn5 n PRO 66 Cb 0.61 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1xn5 n PRO 66 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xn5 n ILE 67 N 3.91 0.00 -3.67 0.52 -6.64 -1.25 -3.84 119.36 108.39 1xn5 n ILE 67 Ca 0.59 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 61.41 1xn5 n ILE 67 Cb 0.18 -0.40 -0.15 0.00 -1.44 0.00 0.00 39.64 37.83 1xn5 n ILE 67 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1xn5 s LYS 68 N -1.57 0.04 -0.05 6.28 2.20 -1.21 -3.90 119.74 121.53 1xn5 s LYS 68 Ca 0.00 0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1xn5 s LYS 68 Cb 0.00 -0.26 0.04 0.00 -1.51 0.00 0.00 37.83 36.10 1xn5 s LYS 68 CO 0.00 -0.30 0.10 -1.17 -0.36 0.00 0.00 175.35 173.62 1xn5 s LEU 69 N 2.24 0.49 0.02 5.43 2.96 -0.68 -2.72 118.68 126.42 1xn5 s LEU 69 Ca 0.02 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1xn5 s LEU 69 Cb -0.12 0.11 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 1xn5 s LEU 69 CO -0.06 -0.19 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.21 1xn5 s SER 70 N 1.65 0.27 -0.16 3.68 0.15 0.10 0.19 113.70 119.58 1xn5 s SER 70 Ca -0.03 -0.57 -0.23 0.00 0.70 0.00 0.00 55.95 55.82 1xn5 s SER 70 Cb -0.12 0.13 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 1xn5 s SER 70 CO -0.04 -0.36 0.59 0.72 1.20 0.00 0.00 173.24 175.34 1xn5 s PHE 71 N -1.90 -0.60 0.20 3.44 -0.12 -1.10 -3.07 117.98 114.83 1xn5 s PHE 71 Ca -0.12 1.33 -0.17 0.00 -0.05 0.00 0.00 56.93 57.93 1xn5 s PHE 71 Cb -0.07 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.50 1xn5 s PHE 71 CO -0.02 -0.40 0.65 0.95 -0.05 0.00 0.00 175.22 176.35 1xn5 s THR 72 N -0.27 4.70 -0.18 -4.49 -4.23 -0.51 -3.49 115.64 107.16 1xn5 s THR 72 Ca -0.04 1.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.45 1xn5 s THR 72 Cb -0.03 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1xn5 s THR 72 CO 0.04 0.17 0.05 0.86 -0.54 0.00 0.00 174.62 175.19 1xn5 s TRP 73 N -1.56 3.20 0.39 3.99 -0.11 -1.06 -3.80 118.94 119.99 1xn5 s TRP 73 Ca 0.42 -0.02 0.00 0.00 1.22 0.00 0.00 56.10 57.72 1xn5 s TRP 73 Cb -0.15 -2.07 0.00 0.00 -1.50 0.00 0.00 33.47 29.75 1xn5 s TRP 73 CO 0.20 0.09 0.00 -3.47 -4.62 0.00 0.00 176.95 169.15 1xn5 n ASP 74 N 3.61 -7.00 -0.33 5.86 2.03 -1.08 -3.19 116.55 116.46 1xn5 n ASP 74 Ca -0.17 0.82 0.23 0.00 0.52 0.00 0.00 54.79 56.19 1xn5 n ASP 74 Cb 0.52 -4.07 0.45 0.00 -0.72 0.00 0.00 41.12 37.30 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1xn5 h THR 75 N -1.32 0.23 -0.24 5.18 1.35 -1.94 -3.40 112.91 112.77 1xn5 h THR 75 Ca -0.07 -0.08 0.26 0.00 -0.55 0.00 0.00 66.41 65.97 1xn5 h THR 75 Cb 1.31 -0.02 -0.23 0.00 -1.73 0.00 0.00 68.15 67.48 1xn5 h THR 75 CO 0.04 0.04 0.31 -0.62 -0.25 0.00 0.00 175.52 175.04 1xn5 s ASP 76 N -4.87 -0.23 0.00 5.36 -1.08 -1.25 -5.08 116.67 109.53 1xn5 s ASP 76 Ca -0.10 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1xn5 s ASP 76 Cb 0.30 1.21 0.00 0.00 -1.46 0.00 0.00 42.92 42.97 1xn5 s ASP 76 CO 0.78 -0.04 0.00 0.61 0.52 0.00 0.00 175.17 177.04 1xn5 n GLY 77 N 5.19 -0.96 3.62 2.66 0.00 -1.19 -5.09 105.19 109.42 1xn5 n GLY 77 Ca -0.08 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 1xn5 n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 78 N 0.00 2.55 -0.02 1.61 0.51 -1.26 -4.93 118.94 117.40 1xn5 s TRP 78 Ca 0.00 -0.39 0.01 0.00 -2.12 0.00 0.00 56.10 53.60 1xn5 s TRP 78 Cb 0.00 -1.40 0.02 0.00 -0.81 0.00 0.00 33.47 31.28 1xn5 s TRP 78 CO 0.00 0.52 -0.02 -1.54 -0.51 0.00 0.00 176.95 175.40 1xn5 s SER 79 N -3.69 0.55 0.04 2.95 1.04 -1.08 -2.55 113.70 110.95 1xn5 s SER 79 Ca 0.34 -0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1xn5 s SER 79 Cb -0.02 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1xn5 s SER 79 CO 0.19 -0.04 -0.19 0.54 0.98 0.00 0.00 173.24 174.73 1xn5 s VAL 80 N 0.61 1.49 -0.02 5.02 0.11 -1.23 -2.05 120.40 124.32 1xn5 s VAL 80 Ca -0.07 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 57.88 1xn5 s VAL 80 Cb -0.10 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1xn5 s VAL 80 CO -0.01 0.15 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.93 1xn5 s THR 81 N -0.80 0.76 0.13 5.04 2.01 0.18 -2.71 115.64 120.24 1xn5 s THR 81 Ca 0.06 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1xn5 s THR 81 Cb -0.08 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1xn5 s THR 81 CO 0.02 0.24 0.10 -0.36 -0.69 0.00 0.00 174.62 173.92 1xn5 s PHE 82 N 0.13 3.14 -0.15 4.92 0.08 0.49 -0.12 117.98 126.47 1xn5 s PHE 82 Ca -0.02 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.00 1xn5 s PHE 82 Cb -0.08 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 1xn5 s PHE 82 CO 0.00 0.52 0.14 -1.01 -0.10 0.00 0.00 175.22 174.77 1xn5 s HIS 83 N -1.59 -0.03 0.17 0.36 3.76 0.71 -1.69 115.29 116.98 1xn5 s HIS 83 Ca 0.30 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.35 1xn5 s HIS 83 Cb -0.11 -0.48 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1xn5 s HIS 83 CO 0.22 -0.45 0.22 -0.51 -0.85 0.00 0.00 174.74 173.37 1xn5 s LEU 84 N 2.23 4.05 -0.30 0.89 1.02 -1.25 -0.30 118.68 125.01 1xn5 s LEU 84 Ca 0.04 -0.01 -0.11 0.00 0.02 0.00 0.00 54.13 54.07 1xn5 s LEU 84 Cb -0.15 -2.63 0.17 0.00 0.02 0.00 0.00 46.19 43.60 1xn5 s LEU 84 CO -0.08 0.04 0.88 -1.59 0.02 0.00 0.00 176.35 175.62 1xn5 s LYS 85 N -3.28 0.36 0.29 1.70 -2.85 -0.36 -4.14 119.74 111.46 1xn5 s LYS 85 Ca 0.33 0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 55.79 1xn5 s LYS 85 Cb -0.10 0.46 -0.10 0.00 -2.06 0.00 0.00 37.83 36.03 1xn5 s LYS 85 CO 0.26 -0.24 1.24 -2.00 0.10 0.00 0.00 175.35 174.71 1xn5 s GLU 86 N 2.72 4.45 0.00 1.78 -6.30 -1.26 -0.56 118.70 119.53 1xn5 s GLU 86 Ca 0.02 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.54 1xn5 s GLU 86 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 30.90 1xn5 s GLU 86 CO -0.17 -0.08 0.00 -1.91 0.02 0.00 0.00 175.26 173.13 1xn5 n GLU 87 N 1.31 1.45 0.00 4.30 0.00 0.45 -4.87 120.64 123.28 1xn5 n GLU 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1xn5 n GLU 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xn5 n GLU 88 N -0.59 0.00 -2.95 5.31 1.02 -1.26 -3.68 120.64 118.48 1xn5 n GLU 88 Ca 0.00 0.79 -0.21 0.00 -0.02 0.00 0.00 57.16 57.72 1xn5 n GLU 88 Cb 0.00 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 1xn5 n GLU 88 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xn5 n ASN 89 N -2.31 2.76 0.00 1.62 2.85 -1.26 -5.06 115.26 113.86 1xn5 n ASN 89 Ca 0.00 -3.32 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1xn5 n ASN 89 Cb 0.00 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.45 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xn5 n GLY 90 N -0.05 0.64 3.60 8.20 0.00 -1.24 -4.76 105.19 111.58 1xn5 n GLY 90 Ca 0.27 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1xn5 n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xn5 s THR 91 N -2.00 3.68 -0.12 2.61 2.01 0.68 0.17 115.64 122.66 1xn5 s THR 91 Ca 0.00 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xn5 s THR 91 Cb 0.00 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1xn5 s THR 91 CO 0.00 0.39 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.60 1xn5 s ILE 92 N -1.00 3.42 -0.09 1.82 -1.09 0.28 0.29 121.20 124.83 1xn5 s ILE 92 Ca 0.17 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.09 1xn5 s ILE 92 Cb -0.11 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1xn5 s ILE 92 CO 0.08 0.53 -0.23 0.12 -1.23 0.00 0.00 174.94 174.20 1xn5 s PHE 93 N 0.09 2.46 -0.03 3.97 2.19 0.30 -1.22 117.98 125.75 1xn5 s PHE 93 Ca -0.04 -0.96 0.05 0.00 0.33 0.00 0.00 56.93 56.31 1xn5 s PHE 93 Cb -0.14 -1.65 -0.01 0.00 -1.31 0.00 0.00 43.02 39.91 1xn5 s PHE 93 CO 0.04 -0.38 -0.17 0.99 1.83 0.00 0.00 175.22 177.53 1xn5 s THR 94 N 0.28 1.36 0.04 0.12 2.01 0.59 0.68 115.64 120.71 1xn5 s THR 94 Ca -0.16 -0.71 0.09 0.00 0.31 0.00 0.00 61.69 61.22 1xn5 s THR 94 Cb -0.17 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1xn5 s THR 94 CO 0.08 0.39 -0.25 -0.51 -0.69 0.00 0.00 174.62 173.64 1xn5 s ILE 95 N -0.20 2.02 -0.06 1.82 -1.16 -0.62 -0.21 121.20 122.80 1xn5 s ILE 95 Ca 0.02 -1.31 -0.01 0.00 -0.51 0.00 0.00 60.65 58.84 1xn5 s ILE 95 Cb -0.09 -1.73 0.03 0.00 0.61 0.00 0.00 42.46 41.28 1xn5 s ILE 95 CO 0.01 0.36 0.02 -0.69 -2.81 0.00 0.00 174.94 171.83 1xn5 s VAL 96 N -0.77 0.20 -0.09 4.00 1.01 0.82 -0.86 120.40 124.72 1xn5 s VAL 96 Ca 0.11 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1xn5 s VAL 96 Cb -0.10 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1xn5 s VAL 96 CO 0.02 0.23 -0.16 -2.28 0.00 0.00 0.00 175.10 172.90 1xn5 s HIS 97 N 1.98 1.87 0.19 5.22 5.04 -1.19 0.48 115.29 128.87 1xn5 s HIS 97 Ca 0.04 -0.77 -0.06 0.00 -1.54 0.00 0.00 55.06 52.73 1xn5 s HIS 97 Cb -0.12 -1.33 -0.02 0.00 0.04 0.00 0.00 32.58 31.15 1xn5 s HIS 97 CO -0.04 -0.37 0.24 -1.12 -2.34 0.00 0.00 174.74 171.11 1xn5 s SER 98 N 0.68 0.09 0.00 9.88 0.01 -0.87 -1.35 113.70 122.14 1xn5 s SER 98 Ca -0.13 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1xn5 s SER 98 Cb -0.16 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1xn5 s SER 98 CO 0.04 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1xn5 n GLY 99 N -0.25 0.99 3.38 3.44 0.00 -1.26 -2.64 105.19 108.85 1xn5 n GLY 99 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1xn5 n GLY 99 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn5 n TRP 100 N 0.00 -1.55 -2.53 1.61 7.02 -1.26 -4.79 117.44 115.94 1xn5 n TRP 100 Ca 0.00 -1.95 0.00 0.00 -1.02 0.00 0.00 57.50 54.53 1xn5 n TRP 100 Cb 0.00 -0.44 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 1xn5 n TRP 100 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn5 n LYS 101 N -1.87 3.98 -2.10 -0.99 5.02 -1.26 -5.01 118.16 115.93 1xn5 n LYS 101 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 1xn5 n LYS 101 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 1xn5 n LYS 101 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xn5 s GLN 102 N 1.50 3.73 -0.28 1.97 -0.21 -1.26 -3.80 119.66 121.30 1xn5 s GLN 102 Ca 0.00 0.86 -0.05 0.00 0.02 0.00 0.00 55.36 56.19 1xn5 s GLN 102 Cb 0.00 -2.10 -0.09 0.00 1.00 0.00 0.00 33.01 31.82 1xn5 s GLN 102 CO 0.00 -0.46 3.16 0.41 -2.12 0.00 0.00 175.29 176.28 1xn5 n GLY 103 N -2.17 3.75 1.78 3.09 0.00 -1.26 -3.68 105.19 106.70 1xn5 n GLY 103 Ca 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn5 n ASP 104 N 1.66 0.00 -4.68 1.61 8.00 -1.26 -4.89 116.55 116.99 1xn5 n ASP 104 Ca 0.47 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 1xn5 n ASP 104 Cb 0.71 0.02 0.16 0.00 -0.02 0.00 0.00 41.12 41.98 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xn5 s THR 105 N -1.89 2.53 0.24 -3.53 -1.32 -1.24 -4.86 115.64 105.57 1xn5 s THR 105 Ca 0.00 0.17 0.09 0.00 -1.21 0.00 0.00 61.69 60.75 1xn5 s THR 105 Cb 0.00 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1xn5 s THR 105 CO 0.00 -0.22 -0.04 -0.75 -2.21 0.00 0.00 174.62 171.40 1xn5 s LYS 106 N -4.79 2.21 -0.40 7.08 2.20 -1.26 -2.64 119.74 122.14 1xn5 s LYS 106 Ca 0.65 -1.39 -0.19 0.00 -0.36 0.00 0.00 55.97 54.67 1xn5 s LYS 106 Cb -0.20 -2.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1xn5 s LYS 106 CO 0.58 0.38 0.58 0.08 -0.36 0.00 0.00 175.35 176.61 1xn5 s VAL 107 N -2.16 4.92 -1.28 4.02 1.01 -1.21 -4.83 120.40 120.87 1xn5 s VAL 107 Ca 0.30 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1xn5 s VAL 107 Cb -0.07 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1xn5 s VAL 107 CO 0.18 -0.43 2.40 1.21 0.00 0.00 0.00 175.10 178.47 1xn5 n GLU 108 N 6.00 2.74 0.00 2.72 4.07 -1.26 -3.69 120.64 131.21 1xn5 n GLU 108 Ca -0.03 -2.07 0.00 0.00 -0.06 0.00 0.00 57.16 55.00 1xn5 n GLU 108 Cb 0.48 -2.86 0.00 0.00 -0.06 0.00 0.00 31.44 29.00 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1xn5 n LYS 109 N 4.93 0.00 0.00 5.31 0.00 -1.26 -5.02 118.16 122.12 1xn5 n LYS 109 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.90 1xn5 n LYS 109 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xn5 n ALA 110 N -1.73 -0.17 0.00 3.14 0.00 -1.24 -4.94 120.51 115.57 1xn5 n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xn5 n ALA 110 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1xn5 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xn5 n GLY 111 N -0.95 0.58 3.59 0.00 0.00 -1.24 -5.14 105.19 102.02 1xn5 n GLY 111 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 s ALA 112 N -0.87 -2.02 0.76 4.61 0.00 -1.26 -5.09 121.76 117.88 1xn5 s ALA 112 Ca 0.00 1.58 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1xn5 s ALA 112 Cb 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 1xn5 s ALA 112 CO 0.00 -0.49 0.07 0.39 0.00 0.00 0.00 175.76 175.73 1xn5 n GLU 113 N 0.16 0.11 -0.19 0.00 -0.58 -1.26 -3.33 120.64 115.55 1xn5 n GLU 113 Ca -0.03 0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 1xn5 n GLU 113 Cb 0.59 -1.45 0.03 0.00 -0.57 0.00 0.00 31.44 30.03 1xn5 n GLU 113 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xn5 h SER 114 N -0.54 0.64 -0.11 1.62 4.64 -1.81 -1.31 113.55 116.67 1xn5 h SER 114 Ca -0.44 -0.02 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1xn5 h SER 114 Cb 1.35 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1xn5 h SER 114 CO 0.37 0.47 -0.01 0.00 -0.87 0.00 0.00 176.83 176.79 1xn5 h ALA 115 N 1.19 0.09 -0.32 5.18 0.00 -1.84 0.56 119.26 124.12 1xn5 h ALA 115 Ca 0.20 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1xn5 h ALA 115 Cb -0.07 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1xn5 h ALA 115 CO -0.04 -0.47 -0.20 0.28 0.00 0.00 0.00 179.25 178.82 1xn5 h VAL 116 N 0.02 0.44 -0.66 0.00 2.07 -1.79 0.41 116.25 116.74 1xn5 h VAL 116 Ca 0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1xn5 h VAL 116 Cb 0.07 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1xn5 h VAL 116 CO -0.10 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.40 1xn5 h VAL 117 N -0.16 1.21 0.10 2.57 2.07 -0.74 0.21 116.25 121.51 1xn5 h VAL 117 Ca 0.17 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xn5 h VAL 117 Cb 0.42 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1xn5 h VAL 117 CO -0.42 0.25 -0.11 -0.74 0.02 0.00 0.00 177.57 176.57 1xn5 h HIS 118 N 0.93 -0.28 -0.62 1.57 6.17 0.30 0.46 115.15 123.67 1xn5 h HIS 118 Ca 0.23 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.25 1xn5 h HIS 118 Cb 0.08 0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 1xn5 h HIS 118 CO 0.01 -0.17 0.16 0.93 0.71 0.00 0.00 177.93 179.56 1xn5 h GLU 119 N -0.24 0.99 0.52 5.26 5.08 0.09 0.25 114.58 126.53 1xn5 h GLU 119 Ca 0.01 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1xn5 h GLU 119 Cb 0.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xn5 h GLU 119 CO -0.04 0.90 -0.26 0.00 -1.00 0.00 0.00 179.01 178.61 1xn5 h ARG 120 N 0.91 -0.68 -0.97 2.33 3.08 -0.18 0.18 114.38 119.05 1xn5 h ARG 120 Ca 0.20 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.39 1xn5 h ARG 120 Cb 0.35 0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.48 1xn5 h ARG 120 CO 0.00 -0.46 0.62 0.52 -1.07 0.00 0.00 179.97 179.58 1xn5 h MET 121 N -0.71 0.99 0.32 0.04 2.86 -0.11 -0.29 114.93 118.03 1xn5 h MET 121 Ca -0.07 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1xn5 h MET 121 Cb 0.55 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1xn5 h MET 121 CO 0.11 0.65 -0.24 0.22 1.06 0.00 0.00 176.91 178.71 1xn5 h ASP 122 N 1.02 -0.62 -0.28 1.22 1.82 -0.35 1.39 116.42 120.61 1xn5 h ASP 122 Ca 0.45 0.05 0.05 0.00 -0.39 0.00 0.00 57.03 57.19 1xn5 h ASP 122 Cb 0.36 0.20 -0.05 0.00 0.68 0.00 0.00 39.33 40.52 1xn5 h ASP 122 CO -0.20 -0.37 -0.02 0.03 -1.61 0.00 0.00 179.24 177.07 1xn5 h ARG 123 N -0.56 0.06 -0.40 0.28 3.08 0.08 -0.50 114.38 116.43 1xn5 h ARG 123 Ca -0.02 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1xn5 h ARG 123 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1xn5 h ARG 123 CO -0.00 0.04 -0.01 0.78 -1.07 0.00 0.00 179.97 179.70 1xn5 h GLY 124 N 0.06 0.68 0.75 0.04 0.00 -0.76 0.11 103.07 103.95 1xn5 h GLY 124 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1xn5 h GLY 124 CO -0.25 0.40 -0.24 1.49 0.00 0.00 0.00 176.54 177.95 1xn5 h TRP 125 N 0.60 -0.63 0.47 5.60 4.06 0.30 1.40 115.95 127.74 1xn5 h TRP 125 Ca 0.12 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1xn5 h TRP 125 Cb 0.40 0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1xn5 h TRP 125 CO 0.02 -0.36 -0.22 1.25 -3.56 0.00 0.00 178.44 175.57 1xn5 h HIS 126 N -0.53 -0.58 -0.83 0.49 2.76 -0.90 0.25 115.15 115.81 1xn5 h HIS 126 Ca -0.01 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.33 1xn5 h HIS 126 Cb 0.48 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.57 1xn5 h HIS 126 CO -0.15 -0.32 0.56 0.22 -1.30 0.00 0.00 177.93 176.94 1xn5 h ASP 127 N -0.71 0.37 0.43 3.26 1.82 -0.61 1.08 116.42 122.06 1xn5 h ASP 127 Ca -0.06 0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.44 1xn5 h ASP 127 Cb 0.52 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.48 1xn5 h ASP 127 CO 0.11 0.17 -0.69 0.25 -1.61 0.00 0.00 179.24 177.46 1xn5 h LEU 128 N 0.38 0.27 -3.69 2.28 5.85 0.25 -3.00 115.31 117.66 1xn5 h LEU 128 Ca 0.42 -0.17 -0.42 0.00 0.84 0.00 0.00 57.88 58.55 1xn5 h LEU 128 Cb 1.07 -0.08 -0.24 0.00 0.37 0.00 0.00 40.66 41.78 1xn5 h LEU 128 CO -0.14 0.87 0.17 0.55 -0.34 0.00 0.00 178.44 179.55 1xn5 n VAL 129 N -3.81 2.92 0.04 1.05 3.14 0.23 -1.87 118.33 120.04 1xn5 n VAL 129 Ca -0.03 -2.83 0.00 0.00 -2.96 0.00 0.00 64.34 58.52 1xn5 n VAL 129 Cb 0.68 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1xn5 n VAL 129 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1xn5 n ASN 130 N -1.03 0.79 -0.00 6.55 3.02 0.31 -4.69 115.26 120.20 1xn5 n ASN 130 Ca 0.47 0.11 -0.04 0.00 -0.03 0.00 0.00 54.58 55.10 1xn5 n ASN 130 Cb 1.10 -0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 40.03 1xn5 n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xn5 n GLU 131 N -3.36 0.11 -0.38 3.52 1.02 -1.16 -4.18 120.64 116.20 1xn5 n GLU 131 Ca 0.00 0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 1xn5 n GLU 131 Cb 0.13 -0.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.81 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 n ARG 132 N -3.44 -0.36 -0.10 3.49 5.12 -1.24 0.18 116.66 120.31 1xn5 n ARG 132 Ca -0.07 1.42 -0.11 0.00 -1.93 0.00 0.00 57.85 57.16 1xn5 n ARG 132 Cb 0.35 -2.09 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1xn5 n ARG 132 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1xn5 h LEU 133 N 0.00 0.56 -0.99 0.55 5.85 -1.66 -2.79 115.31 116.82 1xn5 h LEU 133 Ca 0.20 -0.33 0.19 0.00 0.84 0.00 0.00 57.88 58.78 1xn5 h LEU 133 Cb 0.43 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 1xn5 h LEU 133 CO -0.89 0.76 0.59 -0.09 -0.34 0.00 0.00 178.44 178.47 1xn5 h ARG 134 N 0.34 0.71 -0.09 1.25 2.43 -0.33 0.64 114.38 119.33 1xn5 h ARG 134 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1xn5 h ARG 134 Cb 0.49 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1xn5 h ARG 134 CO 0.02 0.47 0.01 1.96 -1.51 0.00 0.00 179.97 180.92 1xn5 h GLN 135 N 0.74 0.13 0.00 0.20 4.20 0.22 1.52 115.11 122.12 1xn5 h GLN 135 Ca 0.58 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.26 1xn5 h GLN 135 Cb 0.91 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1xn5 h GLN 135 CO -0.39 0.14 -0.04 0.82 -0.67 0.00 0.00 178.83 178.69 1xn5 h ILE 136 N 0.13 0.27 0.00 2.54 1.08 0.37 -1.88 117.51 120.02 1xn5 h ILE 136 Ca 0.03 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1xn5 h ILE 136 Cb 0.08 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1xn5 h ILE 136 CO 0.00 0.04 -0.71 1.33 -0.69 0.00 0.00 178.15 178.12 1xn5 n VAL 137 N -3.38 0.00 0.40 1.67 0.24 0.35 -5.00 118.33 112.61 1xn5 n VAL 137 Ca -0.02 -0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.06 1xn5 n VAL 137 Cb 0.18 0.76 0.04 0.00 -1.47 0.00 0.00 33.84 33.35 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07