#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 -7.93 -0.44 1.12 -1.04 -1.26 -4.95 114.28 99.78 1xn5 n THR 2 Ca 0.00 2.59 -0.29 0.00 -2.04 0.00 0.00 64.05 64.31 1xn5 n THR 2 Cb 0.00 -3.92 0.27 0.00 -1.82 0.00 0.00 70.33 64.86 1xn5 n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xn5 s ARG 3 N -1.81 -1.83 -0.28 -2.82 3.03 -1.26 -4.46 118.95 109.52 1xn5 s ARG 3 Ca 0.00 0.57 -0.29 0.00 2.03 0.00 0.00 55.73 58.04 1xn5 s ARG 3 Cb 0.00 -1.47 0.01 0.00 -1.03 0.00 0.00 34.95 32.46 1xn5 s ARG 3 CO 0.00 -4.26 1.19 -0.51 -1.13 0.00 0.00 175.30 170.58 1xn5 s LEU 4 N -7.52 3.97 0.99 -1.89 1.43 -1.03 -4.68 118.68 109.95 1xn5 s LEU 4 Ca 0.69 1.25 -0.15 0.00 -1.03 0.00 0.00 54.13 54.89 1xn5 s LEU 4 Cb -0.21 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.65 1xn5 s LEU 4 CO 0.63 -0.91 1.18 -2.16 0.23 0.00 0.00 176.35 175.31 1xn5 s PRO 5 N 3.77 0.48 0.47 1.29 0.04 -1.26 -4.60 135.00 135.18 1xn5 s PRO 5 Ca 0.51 0.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.36 1xn5 s PRO 5 Cb -0.16 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1xn5 s PRO 5 CO 0.17 -2.60 1.22 0.16 0.04 0.00 0.00 177.00 176.00 1xn5 s ASP 6 N -4.20 6.00 -1.48 6.66 -4.77 -1.26 -4.89 116.67 112.72 1xn5 s ASP 6 Ca 0.68 2.45 -0.08 0.00 -3.30 0.00 0.00 52.55 52.30 1xn5 s ASP 6 Cb -0.11 -2.61 0.01 0.00 -1.09 0.00 0.00 42.92 39.12 1xn5 s ASP 6 CO 0.54 -1.05 2.65 -0.38 0.70 0.00 0.00 175.17 177.63 1xn5 n ILE 7 N -0.51 4.62 -3.16 2.11 5.41 -0.97 -4.91 119.36 121.94 1xn5 n ILE 7 Ca 0.07 -3.36 -0.40 0.00 1.00 0.00 0.00 62.75 60.06 1xn5 n ILE 7 Cb 0.47 -2.40 -0.06 0.00 -0.71 0.00 0.00 39.64 36.94 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 0.88 4.18 0.30 0.38 2.20 -1.26 -3.74 119.74 122.69 1xn5 s LYS 8 Ca 0.61 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1xn5 s LYS 8 Cb 0.17 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 1xn5 s LYS 8 CO -0.07 -0.24 0.07 0.15 -0.36 0.00 0.00 175.35 174.90 1xn5 s LYS 9 N 1.92 1.58 -0.07 4.03 -0.14 -0.75 -4.99 119.74 121.32 1xn5 s LYS 9 Ca 0.26 -1.87 -0.08 0.00 -1.36 0.00 0.00 55.97 52.92 1xn5 s LYS 9 Cb -0.16 -0.64 0.02 0.00 -1.68 0.00 0.00 37.83 35.37 1xn5 s LYS 9 CO 0.10 -0.24 0.22 -2.00 -0.76 0.00 0.00 175.35 172.67 1xn5 s GLU 10 N -3.94 0.32 0.04 1.68 -6.30 -1.26 -1.16 118.70 108.08 1xn5 s GLU 10 Ca 0.37 0.18 -0.00 0.00 -2.50 0.00 0.00 54.97 53.01 1xn5 s GLU 10 Cb 0.08 0.15 -0.03 0.00 0.00 0.00 0.00 34.13 34.33 1xn5 s GLU 10 CO 0.15 -0.05 -0.03 0.14 0.02 0.00 0.00 175.26 175.48 1xn5 s VAL 11 N -0.19 0.21 -0.10 3.70 -7.23 -0.05 -5.02 120.40 111.71 1xn5 s VAL 11 Ca -0.03 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1xn5 s VAL 11 Cb -0.03 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.92 1xn5 s VAL 11 CO 0.01 -0.78 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.29 1xn5 s ARG 12 N -2.90 1.90 0.02 4.82 3.52 -1.26 -1.48 118.95 123.57 1xn5 s ARG 12 Ca -0.02 -0.44 0.09 0.00 -0.13 0.00 0.00 55.73 55.22 1xn5 s ARG 12 Cb 0.00 -1.68 -0.03 0.00 -1.56 0.00 0.00 34.95 31.69 1xn5 s ARG 12 CO -0.06 -0.09 -0.25 -0.06 -0.81 0.00 0.00 175.30 174.02 1xn5 s PHE 13 N 1.09 2.35 -0.67 5.12 0.08 -0.97 -5.02 117.98 119.96 1xn5 s PHE 13 Ca -0.06 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.37 1xn5 s PHE 13 Cb -0.14 -1.43 0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1xn5 s PHE 13 CO -0.02 0.09 0.95 1.21 -0.10 0.00 0.00 175.22 177.36 1xn5 s ASN 14 N -1.07 6.20 0.00 1.36 3.84 -1.26 -1.67 114.94 122.33 1xn5 s ASN 14 Ca 0.11 -1.09 0.00 0.00 0.21 0.00 0.00 52.86 52.10 1xn5 s ASN 14 Cb -0.10 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1xn5 s ASN 14 CO 0.01 -1.40 0.00 0.00 -2.79 0.00 0.00 177.10 172.93 1xn5 n ALA 15 N 7.54 0.00 -2.09 1.71 0.00 -1.26 -4.90 120.51 121.51 1xn5 n ALA 15 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1xn5 n ALA 15 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 4.57 0.52 0.00 0.04 -1.26 -3.44 135.00 133.42 1xn5 s PRO 16 Ca 0.00 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.04 1xn5 s PRO 16 Cb 0.00 -3.28 1.41 0.00 0.04 0.00 0.00 34.50 32.67 1xn5 s PRO 16 CO 0.00 0.03 2.08 0.97 0.04 0.00 0.00 177.00 180.12 1xn5 h ILE 17 N 3.78 0.67 -0.00 0.56 2.10 -1.97 -1.14 117.51 121.52 1xn5 h ILE 17 Ca -0.44 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 65.01 1xn5 h ILE 17 Cb 1.21 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.24 1xn5 h ILE 17 CO 0.73 0.12 0.00 -0.08 -1.08 0.00 0.00 178.15 177.84 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.22 -1.98 0.82 114.58 119.83 1xn5 h GLU 18 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1xn5 h GLU 18 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1xn5 h GLU 18 CO 0.02 0.00 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.36 1xn5 h LYS 19 N 0.00 0.00 -0.95 1.92 3.64 -1.61 -3.02 116.57 116.55 1xn5 h LYS 19 Ca 0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1xn5 h LYS 19 Cb 0.00 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 1xn5 h LYS 19 CO -0.00 0.30 0.60 0.28 -2.27 0.00 0.00 179.45 178.36 1xn5 h VAL 20 N -1.00 0.82 -0.55 2.00 2.07 -1.30 0.75 116.25 119.04 1xn5 h VAL 20 Ca -0.04 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1xn5 h VAL 20 Cb 0.46 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 1xn5 h VAL 20 CO -0.02 0.14 0.21 -0.25 0.02 0.00 0.00 177.57 177.67 1xn5 h TRP 21 N 0.77 0.79 0.00 1.57 -0.00 0.54 0.14 115.95 119.76 1xn5 h TRP 21 Ca 0.49 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 59.25 1xn5 h TRP 21 Cb 0.73 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.64 1xn5 h TRP 21 CO -0.00 0.62 -0.41 0.93 -0.00 0.00 0.00 178.44 179.57 1xn5 h GLU 22 N 0.78 0.00 0.00 2.65 5.08 0.39 -1.42 114.58 122.06 1xn5 h GLU 22 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xn5 h GLU 22 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xn5 h GLU 22 CO -0.02 0.41 -0.22 0.00 -1.00 0.00 0.00 179.01 178.18 1xn5 n ALA 23 N -2.24 2.79 -0.73 3.43 0.00 0.13 -2.25 120.51 121.64 1xn5 n ALA 23 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.33 1xn5 n ALA 23 Cb 0.62 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.85 1xn5 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xn5 n VAL 24 N -1.62 1.62 0.00 0.00 0.24 0.34 -2.78 118.33 116.13 1xn5 n VAL 24 Ca 0.06 -1.85 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 1xn5 n VAL 24 Cb 0.35 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.09 3.01 -4.75 -1.34 3.41 -0.56 -4.94 113.62 107.35 1xn5 n SER 25 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1xn5 n SER 25 Cb 0.53 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.91 2.20 -0.19 6.66 -4.23 -0.95 -2.25 115.64 114.97 1xn5 s THR 26 Ca 0.00 -0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 60.04 1xn5 s THR 26 Cb 0.00 -2.93 -0.18 0.00 1.34 0.00 0.00 72.50 70.73 1xn5 s THR 26 CO 0.00 0.00 0.25 0.28 -0.54 0.00 0.00 174.62 174.61 1xn5 h SER 27 N -0.78 0.00 -0.85 3.99 0.02 -1.84 -3.00 113.55 111.09 1xn5 h SER 27 Ca -0.43 -0.52 0.12 0.00 -0.84 0.00 0.00 61.79 60.12 1xn5 h SER 27 Cb 1.30 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 1xn5 h SER 27 CO 0.54 1.32 0.47 -0.08 -1.14 0.00 0.00 176.83 177.93 1xn5 h GLU 28 N -1.00 0.71 -0.36 3.45 4.22 -1.90 1.50 114.58 121.20 1xn5 h GLU 28 Ca -0.25 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.01 1xn5 h GLU 28 Cb 1.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1xn5 h GLU 28 CO -0.15 0.47 -0.34 0.78 -2.18 0.00 0.00 179.01 177.59 1xn5 h GLY 29 N 0.73 0.87 0.38 1.92 0.00 -1.83 -1.62 103.07 103.52 1xn5 h GLY 29 Ca 0.44 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1xn5 h GLY 29 CO -0.30 0.76 -0.17 1.41 0.00 0.00 0.00 176.54 178.24 1xn5 h LEU 30 N 0.67 -0.40 -1.76 3.11 3.38 -0.91 -3.04 115.31 116.36 1xn5 h LEU 30 Ca 0.07 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1xn5 h LEU 30 Cb 0.88 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1xn5 h LEU 30 CO 0.08 0.06 0.46 0.00 0.09 0.00 0.00 178.44 179.12 1xn5 h ALA 31 N -1.00 1.65 0.00 1.53 0.00 0.23 1.74 119.26 123.41 1xn5 h ALA 31 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xn5 h ALA 31 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xn5 h ALA 31 CO 0.08 -0.53 0.00 0.35 0.00 0.00 0.00 179.25 179.15 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.17 -3.34 116.94 115.47 1xn5 h PHE 32 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1xn5 h PHE 32 Cb 0.98 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.49 1xn5 h PHE 32 CO 0.00 0.00 -0.08 -2.67 -2.02 0.00 0.00 178.31 173.54 1xn5 n TRP 33 N -3.04 0.00 0.00 0.41 4.27 0.25 -4.97 117.44 114.36 1xn5 n TRP 33 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1xn5 n TRP 33 Cb 0.08 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 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 -2.48 0.00 -3.65 -2.67 7.35 0.53 -4.96 117.46 111.56 1xn5 n PHE 34 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1xn5 n PHE 34 Cb 0.04 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.86 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 0.00 0.81 0.27 -4.13 -1.94 -1.24 -4.86 119.30 108.21 1xn5 s MET 35 Ca 0.00 -0.41 -0.30 0.00 -1.71 0.00 0.00 55.69 53.27 1xn5 s MET 35 Cb 0.00 0.30 -0.11 0.00 2.01 0.00 0.00 34.83 37.03 1xn5 s MET 35 CO 0.00 -0.37 1.51 -1.21 -0.01 0.00 0.00 175.02 174.94 1xn5 s GLU 36 N -2.92 4.20 0.31 2.03 2.02 -1.26 -2.54 118.70 120.53 1xn5 s GLU 36 Ca 0.11 2.42 -0.18 0.00 0.02 0.00 0.00 54.97 57.34 1xn5 s GLU 36 Cb 0.00 -3.07 0.06 0.00 0.10 0.00 0.00 34.13 31.22 1xn5 s GLU 36 CO -0.02 -0.52 0.88 0.54 0.02 0.00 0.00 175.26 176.16 1xn5 s ASN 37 N 0.44 -0.00 -0.21 -0.19 2.20 -1.26 -1.95 114.94 113.97 1xn5 s ASN 37 Ca 0.61 -0.97 0.11 0.00 -0.94 0.00 0.00 52.86 51.68 1xn5 s ASN 37 Cb -0.44 0.72 0.43 0.00 -2.00 0.00 0.00 41.25 39.96 1xn5 s ASN 37 CO 0.45 -1.44 1.21 0.47 -2.94 0.00 0.00 177.10 174.85 1xn5 n ASP 38 N -1.32 2.18 -4.76 3.54 8.00 -1.22 -4.74 116.55 118.22 1xn5 n ASP 38 Ca -0.06 -3.77 -0.34 0.00 0.71 0.00 0.00 54.79 51.32 1xn5 n ASP 38 Cb 0.60 -0.49 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xn5 s LEU 39 N -3.14 3.54 0.00 0.64 2.96 -1.26 -4.82 118.68 116.60 1xn5 s LEU 39 Ca 0.40 2.16 0.04 0.00 -0.22 0.00 0.00 54.13 56.51 1xn5 s LEU 39 Cb 0.38 -4.57 0.07 0.00 0.50 0.00 0.00 46.19 42.56 1xn5 s LEU 39 CO -0.06 -1.57 0.86 1.17 -1.32 0.00 0.00 176.35 175.43 1xn5 n LYS 40 N -1.96 0.00 -3.43 1.98 4.81 -1.23 -3.28 118.16 115.06 1xn5 n LYS 40 Ca 0.12 -0.82 -0.14 0.00 -0.87 0.00 0.00 58.31 56.60 1xn5 n LYS 40 Cb 0.51 -0.09 0.01 0.00 0.02 0.00 0.00 35.03 35.47 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 n ALA 41 N 0.08 -2.63 -3.41 3.14 0.00 -0.95 -4.91 120.51 111.83 1xn5 n ALA 41 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1xn5 n ALA 41 Cb 0.70 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 -4.15 0.37 0.36 0.00 2.12 -1.26 -4.93 118.70 111.20 1xn5 s GLU 42 Ca 0.06 0.71 -0.26 0.00 0.36 0.00 0.00 54.97 55.84 1xn5 s GLU 42 Cb -0.02 -0.16 -0.12 0.00 0.26 0.00 0.00 34.13 34.08 1xn5 s GLU 42 CO 0.82 -0.54 0.99 -2.37 -0.54 0.00 0.00 175.26 173.62 1xn5 n THR 43 N 5.38 2.16 -2.40 -1.70 5.66 -1.26 -1.48 114.28 120.64 1xn5 n THR 43 Ca -0.05 -0.50 -0.15 0.00 -3.05 0.00 0.00 64.05 60.30 1xn5 n THR 43 Cb 0.50 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.21 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 1.22 -0.22 3.27 1.09 0.00 -1.04 -4.96 105.19 104.54 1xn5 n GLY 44 Ca 0.09 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.79 3.50 -0.39 1.61 5.04 -0.55 -4.95 115.29 116.75 1xn5 s HIS 45 Ca 0.05 -1.83 -0.27 0.00 -1.54 0.00 0.00 55.06 51.47 1xn5 s HIS 45 Cb -0.02 -3.68 -0.04 0.00 0.04 0.00 0.00 32.58 28.87 1xn5 s HIS 45 CO 0.06 -0.98 2.14 -3.38 -2.34 0.00 0.00 174.74 170.23 1xn5 s HIS 46 N 0.83 1.35 -0.09 3.88 -3.43 -1.26 -3.63 115.29 112.94 1xn5 s HIS 46 Ca 0.11 0.93 0.02 0.00 -0.80 0.00 0.00 55.06 55.31 1xn5 s HIS 46 Cb -0.21 -3.88 0.01 0.00 -1.43 0.00 0.00 32.58 27.07 1xn5 s HIS 46 CO -0.03 -3.08 -0.15 -0.59 -2.00 0.00 0.00 174.74 168.90 1xn5 s PHE 47 N 9.38 1.77 0.68 0.38 -0.12 -0.18 -5.02 117.98 124.87 1xn5 s PHE 47 Ca 0.90 -0.73 -0.10 0.00 -0.05 0.00 0.00 56.93 56.95 1xn5 s PHE 47 Cb -0.23 -1.27 0.01 0.00 -0.63 0.00 0.00 43.02 40.90 1xn5 s PHE 47 CO 0.30 -0.37 1.05 -1.01 -0.05 0.00 0.00 175.22 175.14 1xn5 s HIS 48 N 0.77 3.31 -0.09 3.49 3.76 -1.26 -0.85 115.29 124.42 1xn5 s HIS 48 Ca -0.12 0.96 0.02 0.00 -0.15 0.00 0.00 55.06 55.77 1xn5 s HIS 48 Cb -0.16 -2.99 0.01 0.00 1.11 0.00 0.00 32.58 30.55 1xn5 s HIS 48 CO 0.02 -1.10 -0.15 -1.17 -0.85 0.00 0.00 174.74 171.50 1xn5 s LEU 49 N -5.27 1.71 -1.19 0.89 2.96 -0.04 -3.41 118.68 114.32 1xn5 s LEU 49 Ca 0.57 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 1xn5 s LEU 49 Cb -0.11 -1.01 0.22 0.00 0.50 0.00 0.00 46.19 45.79 1xn5 s LEU 49 CO 0.50 0.03 1.53 0.00 -1.32 0.00 0.00 176.35 177.09 1xn5 n GLN 50 N 4.01 3.71 -2.30 1.98 1.13 -0.82 -2.20 117.38 122.89 1xn5 n GLN 50 Ca -0.20 -4.00 -0.26 0.00 -1.94 0.00 0.00 57.00 50.59 1xn5 n GLN 50 Cb 0.52 -2.81 0.05 0.00 0.11 0.00 0.00 30.24 28.10 1xn5 n GLN 50 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1xn5 s SER 51 N 0.99 5.30 0.06 1.08 1.04 -1.26 -4.41 113.70 116.50 1xn5 s SER 51 Ca 0.37 0.64 -0.16 0.00 0.48 0.00 0.00 55.95 57.28 1xn5 s SER 51 Cb 0.01 -1.49 -0.21 0.00 0.10 0.00 0.00 66.02 64.43 1xn5 s SER 51 CO 0.01 -1.27 1.20 1.55 0.98 0.00 0.00 173.24 175.70 1xn5 h PRO 52 N -0.35 0.63 -2.00 4.02 0.13 -2.01 -3.30 132.00 129.12 1xn5 h PRO 52 Ca -0.45 -0.61 -0.24 0.00 -0.87 0.00 0.00 66.00 63.83 1xn5 h PRO 52 Cb 1.28 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.48 1xn5 h PRO 52 CO 0.61 1.22 -0.24 0.34 -0.23 0.00 0.00 178.00 179.70 1xn5 n PHE 53 N -4.02 0.29 0.00 1.56 7.35 -1.26 -4.87 117.46 116.50 1xn5 n PHE 53 Ca -0.10 -1.56 0.00 0.00 -0.76 0.00 0.00 57.45 55.03 1xn5 n PHE 53 Cb 0.76 -1.52 0.00 0.00 0.35 0.00 0.00 39.48 39.07 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn5 n GLY 54 N 2.17 -2.28 3.79 7.13 0.00 -1.24 -4.97 105.19 109.80 1xn5 n GLY 54 Ca 0.42 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.98 3.86 -0.01 1.61 0.04 -1.26 -4.09 135.00 131.17 1xn5 s PRO 55 Ca 0.00 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 1xn5 s PRO 55 Cb 0.00 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1xn5 s PRO 55 CO 0.00 -0.38 0.03 -1.12 0.04 0.00 0.00 177.00 175.57 1xn5 s SER 56 N -1.91 -0.00 -0.14 6.66 0.01 -0.94 -4.97 113.70 112.41 1xn5 s SER 56 Ca 0.66 0.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.68 1xn5 s SER 56 Cb -0.17 0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 1xn5 s SER 56 CO 0.21 -0.05 1.27 -2.16 0.41 0.00 0.00 173.24 172.92 1xn5 s PRO 57 N 0.36 4.25 0.17 12.44 0.04 -1.26 -0.86 135.00 150.14 1xn5 s PRO 57 Ca -0.03 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1xn5 s PRO 57 Cb -0.04 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 1xn5 s PRO 57 CO -0.01 -0.67 -0.02 0.00 0.04 0.00 0.00 177.00 176.33 1xn5 s GLN 59 N -2.91 0.45 0.15 0.00 0.74 -1.12 -1.01 119.66 115.96 1xn5 s GLN 59 Ca 0.27 0.25 -0.20 0.00 0.05 0.00 0.00 55.36 55.73 1xn5 s GLN 59 Cb -0.09 0.21 -0.07 0.00 1.10 0.00 0.00 33.01 34.15 1xn5 s GLN 59 CO 0.18 -0.08 0.66 0.08 -0.55 0.00 0.00 175.29 175.58 1xn5 s VAL 60 N -0.26 4.62 -0.09 1.34 1.01 -1.24 0.11 120.40 125.88 1xn5 s VAL 60 Ca -0.04 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.30 1xn5 s VAL 60 Cb -0.03 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1xn5 s VAL 60 CO 0.01 0.41 -0.01 0.35 0.00 0.00 0.00 175.10 175.86 1xn5 n THR 61 N 1.29 0.61 -3.70 3.92 -2.24 -1.13 -2.50 114.28 110.52 1xn5 n THR 61 Ca -0.06 -0.32 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1xn5 n THR 61 Cb 0.50 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 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 -4.41 -0.54 -0.30 3.42 1.11 -1.23 -4.75 116.67 109.98 1xn5 s ASP 62 Ca -0.08 0.95 -0.03 0.00 0.18 0.00 0.00 52.55 53.56 1xn5 s ASP 62 Cb 0.03 0.87 0.19 0.00 1.07 0.00 0.00 42.92 45.08 1xn5 s ASP 62 CO 0.32 -0.18 0.74 0.54 1.18 0.00 0.00 175.17 177.77 1xn5 s VAL 63 N 1.03 -0.78 -0.27 -1.27 0.11 -1.26 -0.48 120.40 117.49 1xn5 s VAL 63 Ca -0.06 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1xn5 s VAL 63 Cb -0.06 -0.94 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 1xn5 s VAL 63 CO -0.09 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.88 0.45 0.47 1.54 2.56 -1.11 -4.41 118.70 121.08 1xn5 s GLU 64 Ca 0.14 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.71 1xn5 s GLU 64 Cb -0.12 -0.07 0.00 0.00 2.00 0.00 0.00 34.13 35.94 1xn5 s GLU 64 CO -0.20 -0.75 0.00 0.54 -0.56 0.00 0.00 175.26 174.30 1xn5 n ARG 65 N 5.39 -2.79 -1.38 4.30 1.74 -1.26 -3.94 116.66 118.71 1xn5 n ARG 65 Ca -0.01 2.16 -0.41 0.00 -0.77 0.00 0.00 57.85 58.81 1xn5 n ARG 65 Cb 0.51 -3.39 -0.03 0.00 -1.02 0.00 0.00 32.46 28.53 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 -4.07 2.20 0.00 5.56 -0.04 -1.26 -3.49 135.00 133.90 1xn5 n PRO 66 Ca -0.05 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1xn5 n PRO 66 Cb 0.64 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 5.42 0.00 -4.03 0.52 -6.64 -1.26 -4.07 119.36 109.31 1xn5 n ILE 67 Ca 0.52 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.33 1xn5 n ILE 67 Cb 0.38 -0.29 -0.16 0.00 -1.44 0.00 0.00 39.64 38.13 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 -1.71 0.41 -0.21 6.28 2.36 -1.23 -3.72 119.74 121.93 1xn5 s LYS 68 Ca 0.00 -0.03 -0.15 0.00 -2.55 0.00 0.00 55.97 53.24 1xn5 s LYS 68 Cb 0.00 -0.50 0.06 0.00 -1.05 0.00 0.00 37.83 36.34 1xn5 s LYS 68 CO 0.00 -0.05 0.53 -1.17 1.55 0.00 0.00 175.35 176.20 1xn5 s LEU 69 N 0.65 -0.24 -0.02 5.43 2.96 -0.64 -2.74 118.68 124.09 1xn5 s LEU 69 Ca -0.07 1.11 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 1xn5 s LEU 69 Cb -0.10 1.80 0.03 0.00 0.50 0.00 0.00 46.19 48.42 1xn5 s LEU 69 CO -0.01 -0.20 0.39 -0.55 -1.32 0.00 0.00 176.35 174.66 1xn5 s SER 70 N 0.87 -0.29 -0.23 3.68 0.15 0.37 0.12 113.70 118.37 1xn5 s SER 70 Ca -0.05 0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.64 1xn5 s SER 70 Cb -0.05 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 1xn5 s SER 70 CO -0.07 -0.48 0.60 0.72 1.20 0.00 0.00 173.24 175.21 1xn5 s PHE 71 N -1.30 -0.73 0.40 3.44 -0.71 -1.20 -2.84 117.98 115.05 1xn5 s PHE 71 Ca -0.13 1.68 -0.11 0.00 -1.04 0.00 0.00 56.93 57.33 1xn5 s PHE 71 Cb -0.04 0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 42.00 1xn5 s PHE 71 CO 0.06 -0.36 0.77 0.95 -1.34 0.00 0.00 175.22 175.30 1xn5 s THR 72 N 0.64 4.78 -0.18 -4.49 -4.23 0.12 -3.86 115.64 108.42 1xn5 s THR 72 Ca -0.03 0.63 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1xn5 s THR 72 Cb -0.05 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.13 1xn5 s THR 72 CO -0.04 -0.51 0.42 0.86 -0.54 0.00 0.00 174.62 174.81 1xn5 s TRP 73 N -2.36 -0.64 0.31 3.99 -0.00 -1.24 -2.77 118.94 116.23 1xn5 s TRP 73 Ca 0.51 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.95 1xn5 s TRP 73 Cb -0.10 0.28 0.00 0.00 -0.00 0.00 0.00 33.47 33.65 1xn5 s TRP 73 CO 0.31 -0.36 0.00 -0.25 -0.00 0.00 0.00 176.95 176.65 1xn5 n ASP 74 N 4.35 -4.47 -2.61 5.86 8.00 -1.25 -4.36 116.55 122.07 1xn5 n ASP 74 Ca -0.22 0.98 -0.36 0.00 0.71 0.00 0.00 54.79 55.90 1xn5 n ASP 74 Cb 0.55 -2.19 0.05 0.00 -0.02 0.00 0.00 41.12 39.51 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xn5 n THR 75 N -2.05 3.43 -0.02 -3.53 -2.24 -1.26 -4.53 114.28 104.09 1xn5 n THR 75 Ca 0.00 -3.87 -0.03 0.00 -2.27 0.00 0.00 64.05 57.88 1xn5 n THR 75 Cb 0.25 -1.21 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xn5 n ASP 76 N -0.68 0.92 0.00 3.42 2.03 -1.26 -5.05 116.55 115.93 1xn5 n ASP 76 Ca 0.55 0.14 0.00 0.00 0.52 0.00 0.00 54.79 56.00 1xn5 n ASP 76 Cb 0.47 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xn5 n GLY 77 N 2.38 0.00 2.99 0.27 0.00 -1.26 -5.14 105.19 104.43 1xn5 n GLY 77 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 2.31 -0.05 1.61 0.51 -1.26 -4.27 118.94 117.79 1xn5 s TRP 78 Ca 0.00 -1.47 0.01 0.00 -2.12 0.00 0.00 56.10 52.52 1xn5 s TRP 78 Cb 0.00 -1.60 0.02 0.00 -0.81 0.00 0.00 33.47 31.08 1xn5 s TRP 78 CO 0.00 -0.72 -0.04 -1.12 -0.51 0.00 0.00 176.95 174.56 1xn5 s SER 79 N 1.43 1.03 -0.01 2.95 0.01 -1.14 -3.67 113.70 114.32 1xn5 s SER 79 Ca 0.00 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.18 1xn5 s SER 79 Cb -0.15 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 1xn5 s SER 79 CO -0.09 -0.07 -0.11 0.54 0.41 0.00 0.00 173.24 173.92 1xn5 s VAL 80 N 1.06 3.36 -0.04 3.43 0.11 -1.25 -2.17 120.40 124.90 1xn5 s VAL 80 Ca -0.09 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.20 1xn5 s VAL 80 Cb -0.14 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1xn5 s VAL 80 CO -0.01 0.44 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.08 1xn5 s THR 81 N -0.91 1.88 0.06 5.04 2.01 0.31 -3.25 115.64 120.77 1xn5 s THR 81 Ca 0.15 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.19 1xn5 s THR 81 Cb -0.11 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1xn5 s THR 81 CO 0.05 0.53 0.02 -0.36 -0.69 0.00 0.00 174.62 174.17 1xn5 s PHE 82 N -0.30 3.08 -0.10 4.92 0.08 0.32 -0.58 117.98 125.40 1xn5 s PHE 82 Ca 0.02 0.04 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1xn5 s PHE 82 Cb -0.11 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 1xn5 s PHE 82 CO 0.02 0.49 0.21 -1.01 -0.10 0.00 0.00 175.22 174.82 1xn5 s HIS 83 N -1.26 -0.28 0.28 0.36 3.76 -0.40 -1.61 115.29 116.14 1xn5 s HIS 83 Ca 0.25 0.73 0.10 0.00 -0.15 0.00 0.00 55.06 55.99 1xn5 s HIS 83 Cb -0.12 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 1xn5 s HIS 83 CO 0.17 -0.27 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.27 1xn5 s LEU 84 N 1.87 3.11 -0.30 0.89 1.02 -1.24 -0.98 118.68 123.05 1xn5 s LEU 84 Ca -0.03 -0.73 -0.17 0.00 0.02 0.00 0.00 54.13 53.22 1xn5 s LEU 84 Cb -0.12 -1.62 0.18 0.00 0.02 0.00 0.00 46.19 44.66 1xn5 s LEU 84 CO -0.07 -0.04 1.19 -1.59 0.02 0.00 0.00 176.35 175.85 1xn5 s LYS 85 N -3.67 0.10 0.15 1.70 -2.85 -0.89 -4.13 119.74 110.15 1xn5 s LYS 85 Ca 0.32 0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 55.21 1xn5 s LYS 85 Cb -0.05 0.13 -0.08 0.00 -2.06 0.00 0.00 37.83 35.77 1xn5 s LYS 85 CO 0.20 -0.07 1.34 -2.00 0.10 0.00 0.00 175.35 174.92 1xn5 s GLU 86 N 2.49 4.36 0.00 1.78 -6.30 -1.26 -0.88 118.70 118.88 1xn5 s GLU 86 Ca -0.03 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.50 1xn5 s GLU 86 Cb -0.05 -3.23 0.00 0.00 0.00 0.00 0.00 34.13 30.85 1xn5 s GLU 86 CO -0.13 -0.34 0.00 -1.91 0.02 0.00 0.00 175.26 172.89 1xn5 n GLU 87 N 3.33 1.70 0.00 4.30 0.00 0.22 -4.90 120.64 125.29 1xn5 n GLU 87 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 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 -0.62 0.00 -3.00 5.31 1.02 -1.26 -3.71 120.64 118.37 1xn5 n GLU 88 Ca 0.00 0.59 -0.23 0.00 -0.02 0.00 0.00 57.16 57.51 1xn5 n GLU 88 Cb 0.00 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1xn5 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xn5 n ASN 89 N -1.41 2.89 0.00 1.62 3.02 -1.26 -5.06 115.26 115.05 1xn5 n ASN 89 Ca 0.00 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.18 1xn5 n ASN 89 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xn5 n GLY 90 N -0.04 -0.65 3.51 7.41 0.00 -1.24 -4.67 105.19 109.51 1xn5 n GLY 90 Ca 0.28 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 3.21 -0.14 2.61 2.01 -0.67 0.68 115.64 121.34 1xn5 s THR 91 Ca 0.00 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 1xn5 s THR 91 Cb 0.00 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1xn5 s THR 91 CO 0.00 0.47 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 1xn5 s ILE 92 N -0.86 3.97 -0.14 1.82 -1.09 -0.06 -2.29 121.20 122.54 1xn5 s ILE 92 Ca 0.14 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1xn5 s ILE 92 Cb -0.11 -2.73 0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1xn5 s ILE 92 CO 0.04 0.51 -0.15 0.12 -1.23 0.00 0.00 174.94 174.23 1xn5 s PHE 93 N 0.16 2.18 -0.10 3.97 2.19 -0.55 -2.10 117.98 123.73 1xn5 s PHE 93 Ca -0.01 -1.18 0.04 0.00 0.33 0.00 0.00 56.93 56.11 1xn5 s PHE 93 Cb -0.14 -1.58 0.00 0.00 -1.31 0.00 0.00 43.02 39.99 1xn5 s PHE 93 CO 0.03 -0.63 -0.22 0.99 1.83 0.00 0.00 175.22 177.22 1xn5 s THR 94 N 1.31 1.90 0.01 0.12 2.01 -0.16 -0.87 115.64 119.96 1xn5 s THR 94 Ca 0.01 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1xn5 s THR 94 Cb -0.13 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1xn5 s THR 94 CO -0.08 0.52 -0.06 -0.51 -0.69 0.00 0.00 174.62 173.80 1xn5 s ILE 95 N 0.43 3.68 -0.07 1.82 -1.16 -0.31 -1.28 121.20 124.31 1xn5 s ILE 95 Ca -0.17 -0.77 -0.01 0.00 -0.51 0.00 0.00 60.65 59.19 1xn5 s ILE 95 Cb -0.17 -2.60 0.03 0.00 0.61 0.00 0.00 42.46 40.32 1xn5 s ILE 95 CO 0.07 0.39 -0.01 -0.69 -2.81 0.00 0.00 174.94 171.89 1xn5 s VAL 96 N -1.01 0.41 -0.11 4.00 1.01 0.25 -1.80 120.40 123.15 1xn5 s VAL 96 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1xn5 s VAL 96 Cb -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1xn5 s VAL 96 CO 0.08 0.25 -0.18 -2.28 0.00 0.00 0.00 175.10 172.97 1xn5 s HIS 97 N 1.75 2.20 0.21 5.22 2.46 -1.25 0.11 115.29 126.00 1xn5 s HIS 97 Ca 0.02 -1.03 0.04 0.00 0.47 0.00 0.00 55.06 54.56 1xn5 s HIS 97 Cb -0.13 -1.54 -0.05 0.00 -0.13 0.00 0.00 32.58 30.73 1xn5 s HIS 97 CO -0.04 -0.49 -0.04 -1.12 -2.47 0.00 0.00 174.74 170.57 1xn5 s SER 98 N 0.84 1.95 0.00 9.88 0.01 -0.92 -2.30 113.70 123.15 1xn5 s SER 98 Ca -0.09 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1xn5 s SER 98 Cb -0.15 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1xn5 s SER 98 CO -0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1xn5 n GLY 99 N -0.37 1.89 3.74 3.44 0.00 -1.26 -2.87 105.19 109.76 1xn5 n GLY 99 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.38 -1.61 -0.33 1.61 7.02 -1.26 -4.75 117.44 117.74 1xn5 n TRP 100 Ca 0.00 -2.13 0.00 0.00 -1.02 0.00 0.00 57.50 54.35 1xn5 n TRP 100 Cb 0.00 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 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 -2.03 2.51 -3.06 -0.99 5.02 -1.26 -5.05 118.16 113.30 1xn5 n LYS 101 Ca 0.08 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 1xn5 n LYS 101 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.61 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1xn5 s GLN 102 N 4.51 2.99 -0.29 1.97 -2.07 -1.26 -2.45 119.66 123.05 1xn5 s GLN 102 Ca 0.00 -0.70 0.04 0.00 -1.82 0.00 0.00 55.36 52.89 1xn5 s GLN 102 Cb 0.00 -2.62 0.51 0.00 -1.09 0.00 0.00 33.01 29.80 1xn5 s GLN 102 CO 0.00 -0.25 1.61 0.41 -1.32 0.00 0.00 175.29 175.74 1xn5 n GLY 103 N -1.99 3.55 0.99 2.60 0.00 -1.26 -3.81 105.19 105.26 1xn5 n GLY 103 Ca 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.45 0.95 -1.82 1.61 9.92 -1.26 -4.88 116.55 120.61 1xn5 n ASP 104 Ca 0.38 -2.37 -0.06 0.00 -0.53 0.00 0.00 54.79 52.21 1xn5 n ASP 104 Cb 1.26 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 41.40 1xn5 n ASP 104 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1xn5 n THR 105 N -0.03 0.00 -4.11 -3.53 5.66 -1.25 -5.13 114.28 105.90 1xn5 n THR 105 Ca 0.07 -0.74 -0.09 0.00 -3.05 0.00 0.00 64.05 60.23 1xn5 n THR 105 Cb 0.92 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.94 1xn5 n THR 105 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1xn5 s LYS 106 N -2.43 0.66 0.42 1.09 2.20 -1.26 -3.03 119.74 117.39 1xn5 s LYS 106 Ca 0.11 -1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 54.36 1xn5 s LYS 106 Cb 0.01 -0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.19 1xn5 s LYS 106 CO 0.08 -0.04 0.97 0.08 -0.36 0.00 0.00 175.35 176.07 1xn5 s VAL 107 N -3.19 4.23 -0.54 4.02 1.01 -1.16 -4.73 120.40 120.04 1xn5 s VAL 107 Ca 0.04 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1xn5 s VAL 107 Cb 0.03 -3.65 0.42 0.00 0.00 0.00 0.00 36.38 33.18 1xn5 s VAL 107 CO -0.05 -0.22 1.55 -1.84 0.00 0.00 0.00 175.10 174.54 1xn5 n GLU 108 N -0.46 3.16 0.16 2.72 0.28 -1.26 -4.40 120.64 120.84 1xn5 n GLU 108 Ca 0.06 -3.91 0.00 0.00 -0.16 0.00 0.00 57.16 53.15 1xn5 n GLU 108 Cb 0.53 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xn5 n LYS 109 N -0.66 0.00 0.00 3.44 3.00 -1.26 -5.00 118.16 117.67 1xn5 n LYS 109 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.80 1xn5 n LYS 109 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 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 -3.21 -0.35 0.00 3.14 0.00 -1.26 -4.99 120.51 113.85 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 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.87 2.29 3.73 0.00 0.00 -1.26 -5.13 105.19 103.94 1xn5 n GLY 111 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 1.30 0.90 4.61 0.00 -1.26 -4.75 121.76 122.55 1xn5 s ALA 112 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1xn5 s ALA 112 Cb 0.00 -2.95 0.13 0.00 0.00 0.00 0.00 23.12 20.30 1xn5 s ALA 112 CO 0.00 -2.87 1.10 -1.21 0.00 0.00 0.00 175.76 172.78 1xn5 s GLU 113 N -5.38 1.23 0.25 0.00 2.02 -1.26 -3.00 118.70 112.55 1xn5 s GLU 113 Ca 0.68 0.69 -0.02 0.00 0.02 0.00 0.00 54.97 56.34 1xn5 s GLU 113 Cb -0.12 -1.82 0.30 0.00 0.10 0.00 0.00 34.13 32.59 1xn5 s GLU 113 CO 0.55 -2.23 1.69 0.77 0.02 0.00 0.00 175.26 176.06 1xn5 h SER 114 N -1.53 0.68 -0.22 -0.19 0.02 -1.83 -1.24 113.55 109.24 1xn5 h SER 114 Ca -0.50 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.13 1xn5 h SER 114 Cb 1.29 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1xn5 h SER 114 CO 0.57 0.86 -0.19 0.00 -1.14 0.00 0.00 176.83 176.93 1xn5 h ALA 115 N 1.19 1.01 0.33 3.77 0.00 -1.85 0.69 119.26 124.41 1xn5 h ALA 115 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xn5 h ALA 115 Cb 0.65 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xn5 h ALA 115 CO 0.05 0.59 -0.16 0.28 0.00 0.00 0.00 179.25 180.01 1xn5 h VAL 116 N 0.59 0.67 0.13 0.00 2.07 -1.82 0.19 116.25 118.08 1xn5 h VAL 116 Ca 0.09 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1xn5 h VAL 116 Cb 0.65 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xn5 h VAL 116 CO 0.05 0.09 -0.06 0.58 0.02 0.00 0.00 177.57 178.25 1xn5 h VAL 117 N -0.73 0.94 -0.38 2.57 2.07 -1.16 0.14 116.25 119.71 1xn5 h VAL 117 Ca -0.05 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1xn5 h VAL 117 Cb 0.50 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1xn5 h VAL 117 CO 0.07 0.06 -0.40 -0.74 0.02 0.00 0.00 177.57 176.58 1xn5 h HIS 118 N -0.29 -1.15 -0.10 1.57 6.17 0.39 1.46 115.15 123.21 1xn5 h HIS 118 Ca -0.02 0.06 0.03 0.00 0.71 0.00 0.00 60.37 61.15 1xn5 h HIS 118 Cb 0.23 0.56 -0.03 0.00 2.52 0.00 0.00 27.41 30.69 1xn5 h HIS 118 CO -0.03 -0.43 -0.06 0.93 0.71 0.00 0.00 177.93 179.05 1xn5 h GLU 119 N -0.32 -0.06 0.56 5.26 5.08 -0.81 1.26 114.58 125.55 1xn5 h GLU 119 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1xn5 h GLU 119 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1xn5 h GLU 119 CO -0.55 -0.04 -0.42 0.00 -1.00 0.00 0.00 179.01 177.00 1xn5 h ARG 120 N -0.06 -0.91 -0.49 2.33 3.08 0.64 0.87 114.38 119.84 1xn5 h ARG 120 Ca 0.06 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.23 1xn5 h ARG 120 Cb 0.15 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1xn5 h ARG 120 CO -0.13 -0.61 0.21 0.52 -1.07 0.00 0.00 179.97 178.89 1xn5 h MET 121 N -0.95 0.41 0.32 0.04 2.86 0.21 -1.01 114.93 116.81 1xn5 h MET 121 Ca -0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1xn5 h MET 121 Cb 0.79 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1xn5 h MET 121 CO 0.02 0.27 -0.26 0.22 1.06 0.00 0.00 176.91 178.23 1xn5 h ASP 122 N 0.42 -0.67 -0.44 1.22 1.82 0.18 1.12 116.42 120.07 1xn5 h ASP 122 Ca 0.23 0.05 0.08 0.00 -0.39 0.00 0.00 57.03 57.00 1xn5 h ASP 122 Cb 0.19 0.22 -0.09 0.00 0.68 0.00 0.00 39.33 40.33 1xn5 h ASP 122 CO -0.20 -0.39 -0.39 0.03 -1.61 0.00 0.00 179.24 176.69 1xn5 h ARG 123 N -0.58 -0.27 -0.20 0.28 2.47 0.12 0.32 114.38 116.52 1xn5 h ARG 123 Ca -0.02 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1xn5 h ARG 123 Cb 0.51 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 1xn5 h ARG 123 CO -0.02 -0.18 -0.18 0.78 0.56 0.00 0.00 179.97 180.94 1xn5 h GLY 124 N -0.28 0.37 0.78 0.04 0.00 -0.93 0.23 103.07 103.27 1xn5 h GLY 124 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1xn5 h GLY 124 CO -0.58 0.24 -0.31 1.49 0.00 0.00 0.00 176.54 177.37 1xn5 h TRP 125 N 0.31 -0.82 0.24 5.60 4.06 0.43 1.43 115.95 127.20 1xn5 h TRP 125 Ca 0.06 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.99 1xn5 h TRP 125 Cb 0.50 0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 1xn5 h TRP 125 CO 0.01 -0.46 -0.11 1.25 -3.56 0.00 0.00 178.44 175.57 1xn5 h HIS 126 N -0.72 -0.29 -0.72 0.49 2.76 -0.34 0.25 115.15 116.58 1xn5 h HIS 126 Ca -0.04 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.31 1xn5 h HIS 126 Cb 0.62 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.64 1xn5 h HIS 126 CO -0.13 -0.02 0.50 0.22 -1.30 0.00 0.00 177.93 177.20 1xn5 h ASP 127 N -0.56 0.11 -0.10 3.26 1.82 -0.42 0.77 116.42 121.30 1xn5 h ASP 127 Ca -0.03 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1xn5 h ASP 127 Cb 0.41 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1xn5 h ASP 127 CO 0.05 0.05 -0.37 0.25 -1.61 0.00 0.00 179.24 177.61 1xn5 h LEU 128 N 0.12 0.50 -3.86 2.28 5.85 0.25 -2.99 115.31 117.45 1xn5 h LEU 128 Ca 0.35 -0.62 -0.53 0.00 0.84 0.00 0.00 57.88 57.91 1xn5 h LEU 128 Cb 1.21 -0.15 -0.28 0.00 0.37 0.00 0.00 40.66 41.81 1xn5 h LEU 128 CO -0.04 1.04 0.68 0.55 -0.34 0.00 0.00 178.44 180.33 1xn5 n VAL 129 N -4.36 3.21 0.00 1.05 3.14 0.61 -1.00 118.33 120.98 1xn5 n VAL 129 Ca -0.08 -2.14 0.00 0.00 -2.96 0.00 0.00 64.34 59.17 1xn5 n VAL 129 Cb 0.52 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 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 -0.89 0.04 0.06 6.55 5.03 0.24 -4.67 115.26 121.62 1xn5 n ASN 130 Ca 0.56 0.01 0.00 0.00 0.87 0.00 0.00 54.58 56.02 1xn5 n ASN 130 Cb 1.21 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.95 1xn5 n ASN 130 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xn5 n GLU 131 N -2.99 0.00 -0.35 3.52 1.02 -1.14 -4.30 120.64 116.39 1xn5 n GLU 131 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1xn5 n GLU 131 Cb 0.45 -0.44 0.02 0.00 -0.02 0.00 0.00 31.44 31.45 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 -3.47 -0.24 -0.12 3.49 5.12 -1.23 0.18 116.66 120.39 1xn5 n ARG 132 Ca 0.00 1.39 -0.13 0.00 -1.93 0.00 0.00 57.85 57.18 1xn5 n ARG 132 Cb 0.02 -2.07 -0.02 0.00 -1.16 0.00 0.00 32.46 29.23 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 0.94 -1.49 0.55 5.85 -1.36 -2.79 115.31 117.01 1xn5 h LEU 133 Ca 0.29 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1xn5 h LEU 133 Cb 0.52 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1xn5 h LEU 133 CO -0.89 1.20 0.47 -0.09 -0.34 0.00 0.00 178.44 178.79 1xn5 h ARG 134 N 0.69 0.55 -0.24 1.25 1.12 0.74 0.74 114.38 119.23 1xn5 h ARG 134 Ca 0.06 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.78 1xn5 h ARG 134 Cb 0.92 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.74 1xn5 h ARG 134 CO 0.08 0.36 -0.35 1.96 -3.11 0.00 0.00 179.97 178.92 1xn5 h GLN 135 N 0.57 0.53 -0.02 0.20 4.20 0.22 1.16 115.11 121.96 1xn5 h GLN 135 Ca 0.33 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1xn5 h GLN 135 Cb 0.54 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xn5 h GLN 135 CO -0.11 0.80 0.27 0.82 -0.67 0.00 0.00 178.83 179.94 1xn5 h ILE 136 N 0.45 0.02 0.00 2.54 1.08 -0.64 -1.80 117.51 119.16 1xn5 h ILE 136 Ca 0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1xn5 h ILE 136 Cb 0.82 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1xn5 h ILE 136 CO 0.07 0.00 -1.41 1.33 -0.69 0.00 0.00 178.15 177.45 1xn5 n VAL 137 N -2.97 0.41 1.54 1.67 0.24 -0.85 -5.03 118.33 113.34 1xn5 n VAL 137 Ca -0.02 -0.19 0.14 0.00 -2.04 0.00 0.00 64.34 62.23 1xn5 n VAL 137 Cb 0.33 -0.79 0.56 0.00 -1.47 0.00 0.00 33.84 32.46 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07