#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn5 s THR 2 N 0.00 -0.83 0.36 3.17 -4.23 -1.26 -5.13 115.64 107.72 1xn5 s THR 2 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1xn5 s THR 2 Cb 0.00 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1xn5 s THR 2 CO 0.00 -0.04 0.00 0.54 -0.54 0.00 0.00 174.62 174.58 1xn5 n ARG 3 N 5.40 -2.43 -1.28 3.99 3.00 -1.26 -4.74 116.66 119.34 1xn5 n ARG 3 Ca -0.03 1.77 -0.37 0.00 -0.01 0.00 0.00 57.85 59.21 1xn5 n ARG 3 Cb 0.50 -3.00 0.05 0.00 0.00 0.00 0.00 32.46 30.02 1xn5 n ARG 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1xn5 n LEU 4 N -3.73 -0.11 -4.75 0.55 4.77 -1.18 -4.81 117.00 107.73 1xn5 n LEU 4 Ca -0.02 0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 56.16 1xn5 n LEU 4 Cb 0.64 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 1xn5 n LEU 4 CO 0.02 -3.47 0.78 -2.16 -1.33 0.00 0.00 177.39 171.23 1xn5 s PRO 5 N -2.37 4.65 0.36 3.23 0.04 -1.26 -4.95 135.00 134.70 1xn5 s PRO 5 Ca 0.64 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 63.16 1xn5 s PRO 5 Cb -0.38 -3.22 -0.12 0.00 0.04 0.00 0.00 34.50 30.83 1xn5 s PRO 5 CO 0.60 0.20 1.21 -0.40 0.04 0.00 0.00 177.00 178.65 1xn5 n ASP 6 N 1.52 2.32 -3.41 6.66 5.75 -1.26 -4.82 116.55 123.31 1xn5 n ASP 6 Ca -0.00 1.16 -0.40 0.00 -0.01 0.00 0.00 54.79 55.54 1xn5 n ASP 6 Cb 0.45 -1.44 -0.02 0.00 -1.03 0.00 0.00 41.12 39.08 1xn5 n ASP 6 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1xn5 n ILE 7 N 0.09 4.32 -3.08 2.12 5.41 -1.03 -4.91 119.36 122.28 1xn5 n ILE 7 Ca 0.06 -2.93 -0.40 0.00 1.00 0.00 0.00 62.75 60.49 1xn5 n ILE 7 Cb 0.37 -2.54 -0.05 0.00 -0.71 0.00 0.00 39.64 36.71 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 1.82 4.34 0.06 0.38 2.20 -1.26 -3.53 119.74 123.76 1xn5 s LYS 8 Ca 0.64 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 57.04 1xn5 s LYS 8 Cb 0.17 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1xn5 s LYS 8 CO -0.07 -0.06 -0.08 0.15 -0.36 0.00 0.00 175.35 174.94 1xn5 s LYS 9 N 1.27 0.65 -0.07 4.03 -0.14 -0.78 -4.99 119.74 119.70 1xn5 s LYS 9 Ca 0.34 -0.98 -0.04 0.00 -1.36 0.00 0.00 55.97 53.93 1xn5 s LYS 9 Cb -0.17 -0.27 0.03 0.00 -1.68 0.00 0.00 37.83 35.74 1xn5 s LYS 9 CO 0.14 0.03 0.16 -2.00 -0.76 0.00 0.00 175.35 172.92 1xn5 s GLU 10 N -2.44 0.13 0.15 1.68 -6.30 -1.26 0.03 118.70 110.68 1xn5 s GLU 10 Ca -0.01 0.36 0.05 0.00 -2.50 0.00 0.00 54.97 52.86 1xn5 s GLU 10 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 34.13 33.94 1xn5 s GLU 10 CO -0.01 -0.13 -0.10 0.14 0.02 0.00 0.00 175.26 175.17 1xn5 s VAL 11 N 0.93 1.18 -0.12 3.70 -7.23 0.19 -5.01 120.40 114.04 1xn5 s VAL 11 Ca -0.07 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.06 1xn5 s VAL 11 Cb -0.09 -1.83 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1xn5 s VAL 11 CO -0.05 -0.73 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.28 1xn5 s ARG 12 N -3.69 2.07 0.10 4.82 3.52 -1.26 -1.27 118.95 123.24 1xn5 s ARG 12 Ca 0.16 -0.48 0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1xn5 s ARG 12 Cb 0.02 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 1xn5 s ARG 12 CO 0.01 -0.18 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.02 1xn5 s PHE 13 N 1.34 2.05 -0.59 5.12 0.08 -1.05 -5.02 117.98 119.90 1xn5 s PHE 13 Ca 0.00 -0.40 -0.25 0.00 0.12 0.00 0.00 56.93 56.41 1xn5 s PHE 13 Cb -0.14 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1xn5 s PHE 13 CO -0.07 0.24 1.01 1.21 -0.10 0.00 0.00 175.22 177.51 1xn5 s ASN 14 N -1.83 6.30 0.00 1.36 2.47 -1.26 -1.75 114.94 120.23 1xn5 s ASN 14 Ca 0.10 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 52.95 1xn5 s ASN 14 Cb -0.10 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 1xn5 s ASN 14 CO 0.04 -1.36 0.00 0.00 -3.72 0.00 0.00 177.10 172.07 1xn5 n ALA 15 N 7.81 0.00 -2.44 1.71 0.00 -1.26 -4.85 120.51 121.47 1xn5 n ALA 15 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1xn5 n ALA 15 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 4.37 0.59 0.00 0.04 -1.26 -3.04 135.00 133.70 1xn5 s PRO 16 Ca 0.00 1.71 0.29 0.00 0.04 0.00 0.00 61.00 63.03 1xn5 s PRO 16 Cb 0.00 -3.51 1.43 0.00 0.04 0.00 0.00 34.50 32.45 1xn5 s PRO 16 CO 0.00 -0.40 1.83 0.97 0.04 0.00 0.00 177.00 179.44 1xn5 h ILE 17 N 4.89 0.32 -0.68 0.56 2.10 -1.97 0.73 117.51 123.46 1xn5 h ILE 17 Ca -0.36 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.56 1xn5 h ILE 17 Cb 1.18 0.55 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 1xn5 h ILE 17 CO 0.86 0.00 0.35 -0.08 -1.08 0.00 0.00 178.15 178.20 1xn5 h GLU 18 N 0.00 0.95 0.15 2.19 4.22 -1.98 1.00 114.58 121.11 1xn5 h GLU 18 Ca 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 1xn5 h GLU 18 Cb 1.39 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xn5 h GLU 18 CO -0.00 0.72 -0.07 -0.22 -2.18 0.00 0.00 179.01 177.25 1xn5 h LYS 19 N 0.95 -0.19 -0.91 1.92 3.64 0.08 -1.75 116.57 120.31 1xn5 h LYS 19 Ca 0.24 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 1xn5 h LYS 19 Cb 0.06 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 1xn5 h LYS 19 CO -0.03 0.17 0.54 0.28 -2.27 0.00 0.00 179.45 178.14 1xn5 h VAL 20 N -0.96 0.92 -0.34 2.00 2.07 -1.35 0.98 116.25 119.57 1xn5 h VAL 20 Ca -0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1xn5 h VAL 20 Cb 0.45 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1xn5 h VAL 20 CO 0.03 0.16 0.22 -0.25 0.02 0.00 0.00 177.57 177.75 1xn5 h TRP 21 N 0.89 0.44 0.00 1.57 -0.00 0.98 0.32 115.95 120.16 1xn5 h TRP 21 Ca 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 59.30 1xn5 h TRP 21 Cb 0.41 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.42 1xn5 h TRP 21 CO -0.04 0.30 -0.19 1.49 -0.00 0.00 0.00 178.44 180.01 1xn5 h GLU 22 N 0.46 0.00 0.00 2.65 4.81 -0.00 0.40 114.58 122.90 1xn5 h GLU 22 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1xn5 h GLU 22 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1xn5 h GLU 22 CO -0.03 0.19 -0.26 0.00 -0.73 0.00 0.00 179.01 178.18 1xn5 n ALA 23 N -2.23 2.88 -0.02 2.92 0.00 0.32 -2.77 120.51 121.60 1xn5 n ALA 23 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1xn5 n ALA 23 Cb 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.61 0.85 0.09 0.00 0.24 1.00 -2.08 118.33 116.80 1xn5 n VAL 24 Ca 0.06 -0.91 0.01 0.00 -2.04 0.00 0.00 64.34 61.46 1xn5 n VAL 24 Cb 0.35 0.58 -0.00 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.42 0.67 -4.46 -1.34 3.41 0.13 -4.93 113.62 106.68 1xn5 n SER 25 Ca 0.00 -0.84 -0.23 0.00 -0.26 0.00 0.00 58.87 57.54 1xn5 n SER 25 Cb 0.22 0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.63 2.13 -0.02 6.66 -4.23 -1.12 -2.59 115.64 115.84 1xn5 s THR 26 Ca 0.02 -2.27 -0.23 0.00 -1.18 0.00 0.00 61.69 58.03 1xn5 s THR 26 Cb 0.02 -2.38 -0.22 0.00 1.34 0.00 0.00 72.50 71.25 1xn5 s THR 26 CO 0.05 -0.36 1.09 0.28 -0.54 0.00 0.00 174.62 175.14 1xn5 h SER 27 N 2.25 0.32 -0.45 3.99 0.02 -1.84 -0.78 113.55 117.05 1xn5 h SER 27 Ca -0.40 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 59.81 1xn5 h SER 27 Cb 1.25 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1xn5 h SER 27 CO 0.65 1.00 0.26 -0.08 -1.14 0.00 0.00 176.83 177.52 1xn5 h GLU 28 N -0.34 0.64 -0.01 3.45 4.22 -1.90 1.12 114.58 121.77 1xn5 h GLU 28 Ca -0.03 -0.06 -0.24 0.00 0.08 0.00 0.00 59.36 59.11 1xn5 h GLU 28 Cb 1.03 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1xn5 h GLU 28 CO 0.06 0.47 -0.96 0.78 -2.18 0.00 0.00 179.01 177.18 1xn5 h GLY 29 N 0.72 0.57 0.26 1.92 0.00 -1.75 -2.41 103.07 102.38 1xn5 h GLY 29 Ca 0.17 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1xn5 h GLY 29 CO -0.03 0.87 -0.08 1.41 0.00 0.00 0.00 176.54 178.72 1xn5 h LEU 30 N 0.29 -0.18 -2.00 3.11 3.38 -0.44 -3.10 115.31 116.36 1xn5 h LEU 30 Ca -0.09 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1xn5 h LEU 30 Cb 1.60 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1xn5 h LEU 30 CO 0.17 0.39 0.22 0.00 0.09 0.00 0.00 178.44 179.31 1xn5 h ALA 31 N -0.57 1.20 0.00 1.53 0.00 0.15 1.71 119.26 123.28 1xn5 h ALA 31 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xn5 h ALA 31 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xn5 h ALA 31 CO 0.04 -0.20 -0.02 0.35 0.00 0.00 0.00 179.25 179.41 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.35 -3.35 116.94 115.29 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 0.43 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1xn5 h PHE 32 CO 0.00 0.02 -0.18 -2.67 -2.02 0.00 0.00 178.31 173.46 1xn5 n TRP 33 N -3.34 0.00 0.00 0.41 4.27 0.11 -4.96 117.44 113.94 1xn5 n TRP 33 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1xn5 n TRP 33 Cb 0.14 0.39 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 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 -2.54 0.00 -3.62 -2.67 7.35 0.54 -5.03 117.46 111.48 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 0.09 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.91 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 0.59 0.29 -4.13 -1.94 -1.22 -4.86 119.30 108.03 1xn5 s MET 35 Ca 0.00 -0.29 -0.30 0.00 -1.71 0.00 0.00 55.69 53.39 1xn5 s MET 35 Cb 0.00 0.23 -0.12 0.00 2.01 0.00 0.00 34.83 36.95 1xn5 s MET 35 CO 0.00 -0.27 1.53 0.39 -0.01 0.00 0.00 175.02 176.66 1xn5 n GLU 36 N -0.34 2.52 -2.31 2.03 -0.58 -1.26 -2.67 120.64 118.02 1xn5 n GLU 36 Ca -0.06 0.89 -0.04 0.00 -0.42 0.00 0.00 57.16 57.54 1xn5 n GLU 36 Cb 0.61 -2.63 0.01 0.00 -0.57 0.00 0.00 31.44 28.86 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 1.91 -1.05 -0.75 1.62 0.23 -1.26 -2.36 115.26 113.60 1xn5 n ASN 37 Ca 0.08 -1.75 0.06 0.00 -0.53 0.00 0.00 54.58 52.44 1xn5 n ASN 37 Cb 0.36 1.75 0.13 0.00 -2.08 0.00 0.00 39.78 39.93 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 -1.28 1.46 -4.75 0.53 -0.08 -1.19 -4.78 116.55 106.45 1xn5 n ASP 38 Ca -0.04 -3.07 -0.35 0.00 -1.51 0.00 0.00 54.79 49.82 1xn5 n ASP 38 Cb 0.28 -0.42 0.04 0.00 2.34 0.00 0.00 41.12 43.36 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1xn5 s LEU 39 N -1.98 3.56 0.00 -2.67 2.96 -1.26 -4.83 118.68 114.46 1xn5 s LEU 39 Ca 0.32 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.55 1xn5 s LEU 39 Cb 0.33 -4.59 0.05 0.00 0.50 0.00 0.00 46.19 42.48 1xn5 s LEU 39 CO -0.07 -1.68 0.83 0.29 -1.32 0.00 0.00 176.35 174.39 1xn5 n LYS 40 N -1.93 0.00 -3.31 1.98 5.02 -1.26 -3.09 118.16 115.58 1xn5 n LYS 40 Ca 0.13 -0.74 -0.12 0.00 -2.02 0.00 0.00 58.31 55.56 1xn5 n LYS 40 Cb 0.50 -0.12 0.02 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.06 -2.56 -3.36 7.82 0.00 -1.07 -4.93 120.51 116.48 1xn5 n ALA 41 Ca -0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1xn5 n ALA 41 Cb 0.68 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 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 -4.03 0.34 0.28 0.00 2.12 -1.26 -4.96 118.70 111.19 1xn5 s GLU 42 Ca 0.16 0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.71 1xn5 s GLU 42 Cb -0.04 -0.52 -0.13 0.00 0.26 0.00 0.00 34.13 33.70 1xn5 s GLU 42 CO 0.79 -0.65 1.23 -2.37 -0.54 0.00 0.00 175.26 173.72 1xn5 n THR 43 N 5.36 1.62 -2.24 -1.70 5.66 -1.26 -1.57 114.28 120.16 1xn5 n THR 43 Ca -0.04 -0.40 -0.09 0.00 -3.05 0.00 0.00 64.05 60.47 1xn5 n THR 43 Cb 0.50 -1.31 -0.00 0.00 -1.55 0.00 0.00 70.33 67.97 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 1.38 0.01 3.18 1.09 0.00 -0.56 -4.97 105.19 105.32 1xn5 n GLY 44 Ca 0.09 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.51 3.92 -0.35 1.61 5.04 -0.61 -4.92 115.29 117.47 1xn5 s HIS 45 Ca 0.02 -2.84 -0.29 0.00 -1.54 0.00 0.00 55.06 50.42 1xn5 s HIS 45 Cb -0.01 -3.42 -0.07 0.00 0.04 0.00 0.00 32.58 29.12 1xn5 s HIS 45 CO 0.02 -0.82 2.30 -2.39 -2.34 0.00 0.00 174.74 171.51 1xn5 n HIS 46 N 2.68 1.70 -4.83 3.88 1.44 -1.26 -3.85 115.22 114.97 1xn5 n HIS 46 Ca 0.20 0.03 -0.31 0.00 -2.01 0.00 0.00 57.72 55.62 1xn5 n HIS 46 Cb 0.38 -2.66 -0.13 0.00 0.12 0.00 0.00 29.99 27.70 1xn5 n HIS 46 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1xn5 s PHE 47 N 9.40 2.58 0.57 -1.40 -0.71 0.15 -4.94 117.98 123.62 1xn5 s PHE 47 Ca 1.03 -0.24 -0.14 0.00 -1.04 0.00 0.00 56.93 56.54 1xn5 s PHE 47 Cb -0.40 -1.53 -0.06 0.00 -1.21 0.00 0.00 43.02 39.83 1xn5 s PHE 47 CO 0.35 0.19 1.01 -1.01 -1.34 0.00 0.00 175.22 174.42 1xn5 s HIS 48 N -0.82 3.53 -0.05 3.49 3.76 -1.26 -0.40 115.29 123.54 1xn5 s HIS 48 Ca 0.13 1.38 0.03 0.00 -0.15 0.00 0.00 55.06 56.45 1xn5 s HIS 48 Cb -0.10 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.83 1xn5 s HIS 48 CO 0.03 -0.54 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.07 1xn5 s LEU 49 N -4.64 1.75 -0.99 0.89 2.96 -0.53 -3.19 118.68 114.93 1xn5 s LEU 49 Ca 0.57 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1xn5 s LEU 49 Cb -0.11 -0.83 0.27 0.00 0.50 0.00 0.00 46.19 46.03 1xn5 s LEU 49 CO 0.43 0.07 1.14 0.00 -1.32 0.00 0.00 176.35 176.67 1xn5 n GLN 50 N 3.54 3.57 -2.11 1.98 1.13 -1.00 -2.10 117.38 122.40 1xn5 n GLN 50 Ca -0.21 -4.53 -0.29 0.00 -1.94 0.00 0.00 57.00 50.03 1xn5 n GLN 50 Cb 0.52 -2.47 0.03 0.00 0.11 0.00 0.00 30.24 28.44 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 -0.70 5.76 0.00 1.08 1.04 -1.25 -4.43 113.70 115.20 1xn5 s SER 51 Ca 0.31 1.06 0.22 0.00 0.48 0.00 0.00 55.95 58.03 1xn5 s SER 51 Cb -0.00 -2.03 1.05 0.00 0.10 0.00 0.00 66.02 65.14 1xn5 s SER 51 CO -0.01 -1.07 1.72 -0.81 0.98 0.00 0.00 173.24 174.05 1xn5 n PRO 52 N -2.75 0.19 -2.04 4.02 -0.04 -1.26 -3.10 135.00 130.02 1xn5 n PRO 52 Ca 0.05 0.09 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 1xn5 n PRO 52 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 1xn5 n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn5 n PHE 53 N -1.38 3.05 0.00 0.54 -0.00 -1.26 -5.04 117.46 113.38 1xn5 n PHE 53 Ca 0.08 -2.63 0.00 0.00 -0.00 0.00 0.00 57.45 54.90 1xn5 n PHE 53 Cb 0.21 -0.53 0.00 0.00 -0.00 0.00 0.00 39.48 39.16 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn5 n GLY 54 N -0.66 -1.28 3.75 7.13 0.00 -1.18 -4.97 105.19 107.99 1xn5 n GLY 54 Ca 0.47 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 -4.69 4.64 0.02 1.61 0.04 -1.26 -3.96 135.00 131.40 1xn5 s PRO 55 Ca 0.00 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.82 1xn5 s PRO 55 Cb 0.00 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 1xn5 s PRO 55 CO 0.00 0.19 -0.07 -1.12 0.04 0.00 0.00 177.00 176.04 1xn5 s SER 56 N -0.65 0.79 0.20 6.66 0.01 -0.89 -4.98 113.70 114.84 1xn5 s SER 56 Ca 0.46 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 1xn5 s SER 56 Cb -0.31 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 1xn5 s SER 56 CO 0.38 -0.08 1.11 -2.16 0.41 0.00 0.00 173.24 172.91 1xn5 s PRO 57 N -0.93 4.60 0.18 12.44 0.04 -1.26 -1.45 135.00 148.61 1xn5 s PRO 57 Ca -0.04 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1xn5 s PRO 57 Cb -0.06 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1xn5 s PRO 57 CO 0.00 0.09 -0.12 0.00 0.04 0.00 0.00 177.00 177.01 1xn5 s GLN 59 N -3.69 0.59 0.09 0.00 0.74 -1.23 0.30 119.66 116.47 1xn5 s GLN 59 Ca 0.20 0.52 -0.26 0.00 0.05 0.00 0.00 55.36 55.87 1xn5 s GLN 59 Cb 0.01 0.29 -0.06 0.00 1.10 0.00 0.00 33.01 34.34 1xn5 s GLN 59 CO 0.04 -0.10 0.80 0.08 -0.55 0.00 0.00 175.29 175.56 1xn5 s VAL 60 N -0.04 4.59 -0.13 1.34 1.01 -1.25 -0.95 120.40 124.96 1xn5 s VAL 60 Ca -0.02 1.73 0.14 0.00 0.00 0.00 0.00 61.98 63.83 1xn5 s VAL 60 Cb -0.03 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 31.99 1xn5 s VAL 60 CO 0.02 0.40 0.10 0.35 0.00 0.00 0.00 175.10 175.97 1xn5 n THR 61 N 2.47 0.91 -3.65 3.92 -2.24 -1.20 -1.50 114.28 112.98 1xn5 n THR 61 Ca -0.03 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 1xn5 n THR 61 Cb 0.50 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 68.17 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 -4.77 -0.78 -0.30 3.42 1.01 -1.24 -4.80 116.67 109.22 1xn5 s ASP 62 Ca -0.07 1.34 -0.01 0.00 0.71 0.00 0.00 52.55 54.52 1xn5 s ASP 62 Cb 0.06 1.27 0.19 0.00 1.01 0.00 0.00 42.92 45.45 1xn5 s ASP 62 CO 0.65 -0.23 0.68 0.54 0.21 0.00 0.00 175.17 177.02 1xn5 s VAL 63 N 1.09 -0.87 -0.28 -1.27 0.11 -1.26 -0.83 120.40 117.09 1xn5 s VAL 63 Ca -0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.05 -0.95 0.17 0.00 -1.53 0.00 0.00 36.38 34.01 1xn5 s VAL 63 CO -0.11 0.00 0.49 -0.70 -3.33 0.00 0.00 175.10 171.45 1xn5 s GLU 64 N 2.87 0.47 0.46 1.54 2.56 -1.03 -4.52 118.70 121.05 1xn5 s GLU 64 Ca 0.15 0.54 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1xn5 s GLU 64 Cb -0.12 -0.01 0.00 0.00 2.00 0.00 0.00 34.13 36.00 1xn5 s GLU 64 CO -0.21 -0.84 0.00 0.54 -0.56 0.00 0.00 175.26 174.18 1xn5 n ARG 65 N 5.39 -2.76 -0.96 4.30 1.74 -1.26 -3.73 116.66 119.38 1xn5 n ARG 65 Ca 0.00 2.14 -0.27 0.00 -0.77 0.00 0.00 57.85 58.95 1xn5 n ARG 65 Cb 0.51 -3.35 -0.03 0.00 -1.02 0.00 0.00 32.46 28.57 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 -4.05 2.65 0.00 5.56 -0.04 -1.26 -3.33 135.00 134.53 1xn5 n PRO 66 Ca -0.05 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1xn5 n PRO 66 Cb 0.64 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 3.80 0.00 -3.80 0.52 -6.64 -1.25 -3.61 119.36 108.38 1xn5 n ILE 67 Ca 0.57 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 61.36 1xn5 n ILE 67 Cb 0.22 -0.54 -0.17 0.00 -1.44 0.00 0.00 39.64 37.71 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 0.19 -0.14 6.28 2.47 -1.21 -3.82 119.74 121.80 1xn5 s LYS 68 Ca 0.00 0.19 -0.10 0.00 -1.56 0.00 0.00 55.97 54.49 1xn5 s LYS 68 Cb 0.00 -0.54 0.04 0.00 -1.46 0.00 0.00 37.83 35.87 1xn5 s LYS 68 CO 0.00 -0.23 0.35 -1.17 0.16 0.00 0.00 175.35 174.46 1xn5 s LEU 69 N 1.53 0.43 0.06 5.43 2.96 -0.66 -2.46 118.68 125.97 1xn5 s LEU 69 Ca -0.03 0.73 -0.17 0.00 -0.22 0.00 0.00 54.13 54.44 1xn5 s LEU 69 Cb -0.13 1.17 0.03 0.00 0.50 0.00 0.00 46.19 47.76 1xn5 s LEU 69 CO -0.03 -0.15 0.39 -0.55 -1.32 0.00 0.00 176.35 174.69 1xn5 s SER 70 N 0.67 -0.24 -0.20 3.68 0.15 -0.01 0.19 113.70 117.94 1xn5 s SER 70 Ca -0.04 -0.11 -0.22 0.00 0.70 0.00 0.00 55.95 56.28 1xn5 s SER 70 Cb -0.05 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.74 1xn5 s SER 70 CO -0.04 -0.70 0.60 0.72 1.20 0.00 0.00 173.24 175.02 1xn5 s PHE 71 N -2.81 -0.64 0.27 3.44 -0.12 -1.08 -3.22 117.98 113.82 1xn5 s PHE 71 Ca -0.03 1.51 -0.13 0.00 -0.05 0.00 0.00 56.93 58.22 1xn5 s PHE 71 Cb -0.00 0.24 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 1xn5 s PHE 71 CO -0.05 -0.36 0.66 0.95 -0.05 0.00 0.00 175.22 176.37 1xn5 s THR 72 N 0.07 4.77 -0.12 -4.49 -4.23 -0.13 -3.51 115.64 108.02 1xn5 s THR 72 Ca -0.02 0.78 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1xn5 s THR 72 Cb -0.04 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1xn5 s THR 72 CO 0.02 -0.10 -0.21 0.86 -0.54 0.00 0.00 174.62 174.65 1xn5 s TRP 73 N -1.87 2.40 0.38 3.99 -0.11 -1.21 -3.50 118.94 119.03 1xn5 s TRP 73 Ca 0.50 -1.11 0.00 0.00 1.22 0.00 0.00 56.10 56.71 1xn5 s TRP 73 Cb -0.11 -1.65 0.00 0.00 -1.50 0.00 0.00 33.47 30.21 1xn5 s TRP 73 CO 0.19 -0.50 0.00 -0.25 -4.62 0.00 0.00 176.95 171.77 1xn5 n ASP 74 N 3.90 -4.82 -0.34 5.86 8.00 -1.10 -3.72 116.55 124.34 1xn5 n ASP 74 Ca -0.20 0.92 0.14 0.00 0.71 0.00 0.00 54.79 56.37 1xn5 n ASP 74 Cb 0.52 -3.02 0.29 0.00 -0.02 0.00 0.00 41.12 38.89 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 -3.33 -0.41 -3.21 -3.53 -2.24 -1.26 -4.37 114.28 95.93 1xn5 n THR 75 Ca -0.05 2.14 0.04 0.00 -2.27 0.00 0.00 64.05 63.91 1xn5 n THR 75 Cb 0.41 -3.13 -0.02 0.00 -2.10 0.00 0.00 70.33 65.49 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xn5 s ASP 76 N -5.01 -0.57 0.00 3.42 2.15 -1.26 -5.11 116.67 110.29 1xn5 s ASP 76 Ca -0.13 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1xn5 s ASP 76 Cb 0.29 1.52 0.00 0.00 -0.30 0.00 0.00 42.92 44.43 1xn5 s ASP 76 CO 0.76 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.26 1xn5 n GLY 77 N 5.30 -0.32 3.59 2.66 0.00 -1.24 -5.12 105.19 110.07 1xn5 n GLY 77 Ca -0.07 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 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 0.48 2.62 -0.04 1.61 0.51 -1.26 -4.87 118.94 117.99 1xn5 s TRP 78 Ca 0.00 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.76 1xn5 s TRP 78 Cb 0.00 -1.20 0.02 0.00 -0.81 0.00 0.00 33.47 31.48 1xn5 s TRP 78 CO 0.00 0.59 -0.05 -1.12 -0.51 0.00 0.00 176.95 175.87 1xn5 s SER 79 N -3.33 0.88 0.03 2.95 0.01 -1.05 -3.29 113.70 109.89 1xn5 s SER 79 Ca 0.29 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.48 1xn5 s SER 79 Cb -0.07 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1xn5 s SER 79 CO 0.17 -0.04 -0.12 0.54 0.41 0.00 0.00 173.24 174.20 1xn5 s VAL 80 N 0.79 3.24 -0.06 3.43 0.11 -1.23 -2.42 120.40 124.26 1xn5 s VAL 80 Ca -0.10 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1xn5 s VAL 80 Cb -0.13 -2.40 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 1xn5 s VAL 80 CO 0.00 0.34 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.11 1xn5 s THR 81 N -0.99 1.09 0.06 5.04 2.01 0.30 -2.65 115.64 120.51 1xn5 s THR 81 Ca 0.16 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1xn5 s THR 81 Cb -0.11 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1xn5 s THR 81 CO 0.07 0.34 0.15 -0.36 -0.69 0.00 0.00 174.62 174.14 1xn5 s PHE 82 N 0.57 3.38 -0.13 4.92 0.08 0.50 0.54 117.98 127.84 1xn5 s PHE 82 Ca -0.12 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1xn5 s PHE 82 Cb -0.15 -1.71 0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1xn5 s PHE 82 CO 0.03 0.56 0.11 -1.01 -0.10 0.00 0.00 175.22 174.81 1xn5 s HIS 83 N -1.45 0.04 0.19 0.36 3.76 0.35 -1.65 115.29 116.89 1xn5 s HIS 83 Ca 0.32 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 1xn5 s HIS 83 Cb -0.13 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1xn5 s HIS 83 CO 0.25 -0.41 0.10 -0.51 -0.85 0.00 0.00 174.74 173.32 1xn5 s LEU 84 N 2.19 3.63 -0.30 0.89 1.02 -1.25 0.21 118.68 125.08 1xn5 s LEU 84 Ca 0.04 -0.25 -0.15 0.00 0.02 0.00 0.00 54.13 53.79 1xn5 s LEU 84 Cb -0.14 -2.24 0.16 0.00 0.02 0.00 0.00 46.19 43.98 1xn5 s LEU 84 CO -0.08 0.05 0.95 -1.59 0.02 0.00 0.00 176.35 175.71 1xn5 s LYS 85 N -3.20 0.34 0.31 1.70 -2.85 -0.67 -3.86 119.74 111.52 1xn5 s LYS 85 Ca 0.30 0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 55.78 1xn5 s LYS 85 Cb -0.09 0.42 -0.10 0.00 -2.06 0.00 0.00 37.83 35.99 1xn5 s LYS 85 CO 0.22 -0.11 1.23 -2.00 0.10 0.00 0.00 175.35 174.80 1xn5 s GLU 86 N 2.28 4.46 0.00 1.78 -6.30 -1.26 -0.61 118.70 119.05 1xn5 s GLU 86 Ca -0.04 2.07 0.00 0.00 -2.50 0.00 0.00 54.97 54.50 1xn5 s GLU 86 Cb -0.06 -3.11 0.00 0.00 0.00 0.00 0.00 34.13 30.96 1xn5 s GLU 86 CO -0.17 -0.04 0.00 -1.91 0.02 0.00 0.00 175.26 173.15 1xn5 n GLU 87 N 0.94 1.66 0.00 4.30 0.00 0.16 -4.87 120.64 122.83 1xn5 n GLU 87 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.13 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 -0.34 0.00 -3.10 5.31 -0.58 -1.26 -3.85 120.64 116.82 1xn5 n GLU 88 Ca -0.00 0.60 -0.24 0.00 -0.42 0.00 0.00 57.16 57.10 1xn5 n GLU 88 Cb 0.00 -1.19 -0.04 0.00 -0.57 0.00 0.00 31.44 29.64 1xn5 n GLU 88 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xn5 n ASN 89 N -1.64 2.86 0.00 1.62 3.02 -1.26 -5.06 115.26 114.81 1xn5 n ASN 89 Ca 0.00 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 1xn5 n ASN 89 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.19 0.74 3.66 7.41 0.00 -1.25 -4.77 105.19 111.16 1xn5 n GLY 90 Ca 0.28 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 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 4.01 -0.18 2.61 2.01 -0.72 0.38 115.64 121.74 1xn5 s THR 91 Ca 0.00 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 1xn5 s THR 91 Cb 0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1xn5 s THR 91 CO 0.00 0.33 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.61 1xn5 s ILE 92 N -1.11 3.91 -0.21 1.82 -1.09 0.22 -2.53 121.20 122.22 1xn5 s ILE 92 Ca 0.20 -0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1xn5 s ILE 92 Cb -0.11 -2.74 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 1xn5 s ILE 92 CO 0.11 0.46 -0.12 0.12 -1.23 0.00 0.00 174.94 174.28 1xn5 s PHE 93 N 0.72 2.91 -0.06 3.97 2.19 -0.40 -1.67 117.98 125.64 1xn5 s PHE 93 Ca -0.01 -1.43 0.05 0.00 0.33 0.00 0.00 56.93 55.88 1xn5 s PHE 93 Cb -0.14 -2.01 -0.01 0.00 -1.31 0.00 0.00 43.02 39.56 1xn5 s PHE 93 CO 0.02 -0.71 -0.22 0.99 1.83 0.00 0.00 175.22 177.13 1xn5 s THR 94 N 1.35 1.83 0.15 0.12 2.01 0.13 -0.64 115.64 120.60 1xn5 s THR 94 Ca 0.04 -0.93 0.11 0.00 0.31 0.00 0.00 61.69 61.22 1xn5 s THR 94 Cb -0.14 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1xn5 s THR 94 CO -0.08 0.51 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.60 1xn5 s ILE 95 N 0.03 2.32 -0.07 1.82 -1.16 0.10 0.13 121.20 124.38 1xn5 s ILE 95 Ca -0.07 -1.83 -0.03 0.00 -0.51 0.00 0.00 60.65 58.21 1xn5 s ILE 95 Cb -0.14 -2.06 0.04 0.00 0.61 0.00 0.00 42.46 40.91 1xn5 s ILE 95 CO 0.04 0.02 0.12 -0.69 -2.81 0.00 0.00 174.94 171.63 1xn5 s VAL 96 N -1.26 -0.20 -0.04 4.00 1.01 0.19 -1.87 120.40 122.24 1xn5 s VAL 96 Ca 0.16 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1xn5 s VAL 96 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 1xn5 s VAL 96 CO 0.07 0.16 -0.25 -2.28 0.00 0.00 0.00 175.10 172.80 1xn5 s HIS 97 N 2.20 2.36 0.11 5.22 2.46 -1.23 0.11 115.29 126.52 1xn5 s HIS 97 Ca 0.03 -0.56 -0.10 0.00 0.47 0.00 0.00 55.06 54.90 1xn5 s HIS 97 Cb -0.12 -1.53 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 1xn5 s HIS 97 CO -0.05 -0.12 0.25 -1.12 -2.47 0.00 0.00 174.74 171.24 1xn5 s SER 98 N -0.41 0.04 0.00 9.88 0.01 -1.02 -2.48 113.70 119.72 1xn5 s SER 98 Ca 0.04 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1xn5 s SER 98 Cb -0.12 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1xn5 s SER 98 CO 0.01 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1xn5 n GLY 99 N -0.12 0.92 3.69 3.44 0.00 -1.26 -2.54 105.19 109.31 1xn5 n GLY 99 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1xn5 n GLY 99 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 100 N -0.47 2.06 0.03 1.61 0.52 -1.26 -4.96 118.94 116.47 1xn5 s TRP 100 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.61 1xn5 s TRP 100 Cb 0.00 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 1xn5 s TRP 100 CO 0.00 -2.54 0.00 1.63 0.02 0.00 0.00 176.95 176.06 1xn5 n LYS 101 N -4.02 1.88 -1.49 4.98 5.02 -1.26 -4.84 118.16 118.42 1xn5 n LYS 101 Ca 0.08 -0.19 -0.53 0.00 -2.02 0.00 0.00 58.31 55.66 1xn5 n LYS 101 Cb 0.54 0.05 -0.05 0.00 -0.02 0.00 0.00 35.03 35.54 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xn5 n GLN 102 N -0.13 0.34 -0.67 1.97 6.02 -1.26 -3.10 117.38 120.55 1xn5 n GLN 102 Ca -0.01 0.12 -0.18 0.00 -0.01 0.00 0.00 57.00 56.92 1xn5 n GLN 102 Cb 0.03 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xn5 n GLY 103 N 1.81 2.88 1.73 1.08 0.00 -1.26 -2.53 105.19 108.89 1xn5 n GLY 103 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn5 n ASP 104 N 4.02 0.00 -4.69 1.61 2.03 -1.26 -4.95 116.55 113.31 1xn5 n ASP 104 Ca 0.39 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.27 1xn5 n ASP 104 Cb 0.18 0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 1xn5 n ASP 104 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1xn5 n THR 105 N -2.36 1.87 -3.22 5.18 5.66 -1.05 -4.87 114.28 115.49 1xn5 n THR 105 Ca 0.00 -0.47 -0.31 0.00 -3.05 0.00 0.00 64.05 60.22 1xn5 n THR 105 Cb 0.00 -1.54 -0.04 0.00 -1.55 0.00 0.00 70.33 67.20 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 -1.69 3.79 -0.80 1.09 2.20 -1.26 -3.40 119.74 119.67 1xn5 s LYS 106 Ca 0.57 0.32 -0.22 0.00 -0.36 0.00 0.00 55.97 56.28 1xn5 s LYS 106 Cb -0.58 -2.55 0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1xn5 s LYS 106 CO 0.61 0.18 1.11 0.08 -0.36 0.00 0.00 175.35 176.97 1xn5 s VAL 107 N -2.03 4.34 -1.00 4.02 1.01 -1.24 -4.84 120.40 120.66 1xn5 s VAL 107 Ca 0.49 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1xn5 s VAL 107 Cb -0.11 -4.79 -0.09 0.00 0.00 0.00 0.00 36.38 31.40 1xn5 s VAL 107 CO 0.25 -1.58 2.11 1.21 0.00 0.00 0.00 175.10 177.09 1xn5 n GLU 108 N 7.66 2.07 0.04 2.72 2.13 -1.26 -3.23 120.64 130.77 1xn5 n GLU 108 Ca 0.11 -1.91 0.00 0.00 0.66 0.00 0.00 57.16 56.01 1xn5 n GLU 108 Cb 0.48 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.33 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1xn5 n LYS 109 N 5.86 0.00 0.19 5.31 0.00 -1.26 -5.01 118.16 123.26 1xn5 n LYS 109 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.74 1xn5 n LYS 109 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.31 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xn5 h ALA 110 N 0.00 -1.02 0.00 3.14 0.00 -1.99 -3.49 119.26 115.90 1xn5 h ALA 110 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xn5 h ALA 110 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xn5 h ALA 110 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.67 1xn5 n GLY 111 N -0.93 1.41 3.89 0.00 0.00 -1.20 -5.13 105.19 103.23 1xn5 n GLY 111 Ca -0.06 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.35 1.16 4.61 0.00 -1.26 -4.76 121.76 124.85 1xn5 s ALA 112 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 1xn5 s ALA 112 Cb 0.00 -2.69 0.22 0.00 0.00 0.00 0.00 23.12 20.65 1xn5 s ALA 112 CO 0.00 -0.28 0.64 0.39 0.00 0.00 0.00 175.76 176.52 1xn5 n GLU 113 N -1.99 -2.15 -0.02 0.00 1.02 -1.26 -3.71 120.64 112.53 1xn5 n GLU 113 Ca 0.02 -0.60 -0.04 0.00 -0.02 0.00 0.00 57.16 56.52 1xn5 n GLU 113 Cb 0.55 -1.99 0.19 0.00 -0.02 0.00 0.00 31.44 30.16 1xn5 n GLU 113 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xn5 h SER 114 N -2.46 0.58 0.18 1.62 0.02 -1.88 -1.02 113.55 110.60 1xn5 h SER 114 Ca -0.59 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.18 1xn5 h SER 114 Cb 1.34 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1xn5 h SER 114 CO 0.45 0.77 -0.09 0.00 -1.14 0.00 0.00 176.83 176.82 1xn5 h ALA 115 N 1.28 -0.24 -0.45 3.77 0.00 -1.90 0.75 119.26 122.48 1xn5 h ALA 115 Ca 0.09 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xn5 h ALA 115 Cb 0.61 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1xn5 h ALA 115 CO 0.04 -0.42 -0.05 0.28 0.00 0.00 0.00 179.25 179.09 1xn5 h VAL 116 N -0.67 0.60 -0.37 0.00 2.07 -1.88 0.13 116.25 116.13 1xn5 h VAL 116 Ca -0.02 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1xn5 h VAL 116 Cb 0.48 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1xn5 h VAL 116 CO 0.04 0.01 0.00 0.58 0.02 0.00 0.00 177.57 178.22 1xn5 h VAL 117 N 0.05 1.26 -0.54 2.57 2.07 -1.16 -0.53 116.25 119.97 1xn5 h VAL 117 Ca 0.22 -0.98 0.11 0.00 0.82 0.00 0.00 66.70 66.86 1xn5 h VAL 117 Cb 0.33 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.16 1xn5 h VAL 117 CO -0.42 0.33 -0.19 -0.74 0.02 0.00 0.00 177.57 176.57 1xn5 h HIS 118 N 0.48 -0.46 -0.03 1.57 6.17 0.21 1.36 115.15 124.45 1xn5 h HIS 118 Ca 0.11 0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1xn5 h HIS 118 Cb 0.46 0.29 -0.00 0.00 2.52 0.00 0.00 27.41 30.67 1xn5 h HIS 118 CO 0.04 -0.28 0.00 0.93 0.71 0.00 0.00 177.93 179.33 1xn5 h GLU 119 N -0.06 0.05 0.33 5.26 5.08 -0.65 0.14 114.58 124.72 1xn5 h GLU 119 Ca 0.25 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1xn5 h GLU 119 Cb 0.45 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xn5 h GLU 119 CO -0.58 0.31 -0.29 0.00 -1.00 0.00 0.00 179.01 177.44 1xn5 h ARG 120 N -0.21 -0.58 -0.90 2.33 3.08 0.18 0.40 114.38 118.68 1xn5 h ARG 120 Ca 0.01 0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.26 1xn5 h ARG 120 Cb 0.28 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 1xn5 h ARG 120 CO 0.00 -0.39 0.58 0.52 -1.07 0.00 0.00 179.97 179.61 1xn5 h MET 121 N -0.60 0.60 -0.25 0.04 2.86 0.17 0.08 114.93 117.82 1xn5 h MET 121 Ca -0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1xn5 h MET 121 Cb 0.51 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xn5 h MET 121 CO -0.01 0.40 0.10 0.22 1.06 0.00 0.00 176.91 178.68 1xn5 h ASP 122 N 0.62 0.35 -0.29 1.22 1.82 -0.21 0.66 116.42 120.59 1xn5 h ASP 122 Ca 0.46 -0.16 0.07 0.00 -0.39 0.00 0.00 57.03 57.01 1xn5 h ASP 122 Cb 0.85 -0.09 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 1xn5 h ASP 122 CO -0.21 0.41 -0.20 0.03 -1.61 0.00 0.00 179.24 177.66 1xn5 h ARG 123 N 0.26 -0.17 -0.25 0.28 3.08 0.18 0.51 114.38 118.26 1xn5 h ARG 123 Ca 0.08 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1xn5 h ARG 123 Cb 0.17 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1xn5 h ARG 123 CO -0.01 -0.11 -0.41 0.78 -1.07 0.00 0.00 179.97 179.15 1xn5 h GLY 124 N -0.17 0.66 0.80 0.04 0.00 -1.23 0.14 103.07 103.31 1xn5 h GLY 124 Ca 0.15 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1xn5 h GLY 124 CO -0.39 0.60 -0.24 1.49 0.00 0.00 0.00 176.54 178.00 1xn5 h TRP 125 N 0.50 -0.64 0.27 5.60 4.06 0.15 1.44 115.95 127.33 1xn5 h TRP 125 Ca 0.04 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1xn5 h TRP 125 Cb 0.93 0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1xn5 h TRP 125 CO 0.04 -0.36 -0.13 1.25 -3.56 0.00 0.00 178.44 175.68 1xn5 h HIS 126 N -0.56 -0.34 -0.97 0.49 2.76 0.01 -0.05 115.15 116.49 1xn5 h HIS 126 Ca -0.02 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.30 1xn5 h HIS 126 Cb 0.49 0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.47 1xn5 h HIS 126 CO -0.13 -0.11 0.61 -0.44 -1.30 0.00 0.00 177.93 176.56 1xn5 h ASP 127 N -0.52 0.75 0.18 3.26 3.32 -0.55 0.29 116.42 123.16 1xn5 h ASP 127 Ca -0.04 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xn5 h ASP 127 Cb 0.38 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xn5 h ASP 127 CO 0.06 0.33 -0.09 0.25 -1.72 0.00 0.00 179.24 178.07 1xn5 h LEU 128 N 0.76 -0.21 -3.57 1.55 5.85 0.24 -2.58 115.31 117.36 1xn5 h LEU 128 Ca 0.51 -0.12 -0.41 0.00 0.84 0.00 0.00 57.88 58.71 1xn5 h LEU 128 Cb 0.79 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 41.69 1xn5 h LEU 128 CO -0.28 -0.01 0.52 0.55 -0.34 0.00 0.00 178.44 178.89 1xn5 n VAL 129 N -5.13 2.93 0.04 1.05 3.14 -0.07 -1.08 118.33 119.20 1xn5 n VAL 129 Ca -0.09 -1.89 0.00 0.00 -2.96 0.00 0.00 64.34 59.40 1xn5 n VAL 129 Cb 0.18 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 -0.06 0.66 0.00 6.55 3.02 0.85 -4.60 115.26 121.68 1xn5 n ASN 130 Ca 0.39 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1xn5 n ASN 130 Cb 0.68 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xn5 n GLU 131 N -3.31 0.00 -0.30 3.52 -0.00 -1.11 -4.36 120.64 115.08 1xn5 n GLU 131 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.16 57.37 1xn5 n GLU 131 Cb 0.17 -0.62 0.49 0.00 -0.00 0.00 0.00 31.44 31.48 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xn5 h ARG 132 N 0.00 0.42 0.07 3.44 2.47 -1.60 0.38 114.38 119.56 1xn5 h ARG 132 Ca 0.00 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 1xn5 h ARG 132 Cb 0.63 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1xn5 h ARG 132 CO 0.00 0.28 -0.87 1.25 0.56 0.00 0.00 179.97 181.19 1xn5 h LEU 133 N 0.43 0.22 -1.10 3.04 5.85 -1.39 -3.29 115.31 119.08 1xn5 h LEU 133 Ca 0.56 -0.85 0.24 0.00 0.84 0.00 0.00 57.88 58.66 1xn5 h LEU 133 Cb 1.36 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 1xn5 h LEU 133 CO -0.27 1.38 0.62 -0.09 -0.34 0.00 0.00 178.44 179.74 1xn5 h ARG 134 N -0.64 0.56 -0.66 1.25 2.43 -1.35 0.35 114.38 116.32 1xn5 h ARG 134 Ca -0.20 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1xn5 h ARG 134 Cb 1.44 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1xn5 h ARG 134 CO 0.01 0.37 0.38 0.37 -1.51 0.00 0.00 179.97 179.59 1xn5 h GLN 135 N 0.58 0.90 -1.01 0.20 4.15 -0.42 1.41 115.11 120.93 1xn5 h GLN 135 Ca 0.61 -0.09 0.29 0.00 0.77 0.00 0.00 58.65 60.23 1xn5 h GLN 135 Cb 1.21 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 1xn5 h GLN 135 CO -0.41 0.66 0.91 0.82 -1.93 0.00 0.00 178.83 178.89 1xn5 h ILE 136 N 0.90 0.22 0.00 2.39 1.08 -0.36 0.57 117.51 122.30 1xn5 h ILE 136 Ca 0.23 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.60 1xn5 h ILE 136 Cb 0.01 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1xn5 h ILE 136 CO -0.04 0.00 -1.60 1.33 -0.69 0.00 0.00 178.15 177.15 1xn5 n VAL 137 N -3.72 0.38 1.39 1.67 0.24 -0.47 -5.04 118.33 112.78 1xn5 n VAL 137 Ca 0.22 -0.34 0.14 0.00 -2.04 0.00 0.00 64.34 62.31 1xn5 n VAL 137 Cb 1.24 -0.30 0.43 0.00 -1.47 0.00 0.00 33.84 33.74 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07