#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 0.18 0.00 3.17 5.66 -1.26 -5.13 114.28 116.90 1xn5 n THR 2 Ca 0.00 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.07 1xn5 n THR 2 Cb 0.00 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xn5 n ARG 3 N -0.65 -1.46 -3.03 1.09 1.74 -1.26 -4.84 116.66 108.25 1xn5 n ARG 3 Ca -0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.62 1xn5 n ARG 3 Cb 0.84 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.24 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xn5 s LEU 4 N 0.00 3.94 0.46 0.55 1.43 -1.22 -4.72 118.68 119.12 1xn5 s LEU 4 Ca 0.00 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 53.98 1xn5 s LEU 4 Cb 0.00 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 1xn5 s LEU 4 CO 0.00 -0.30 1.04 -2.16 0.23 0.00 0.00 176.35 175.16 1xn5 s PRO 5 N -3.52 3.90 0.81 1.29 0.04 -1.26 -4.94 135.00 131.31 1xn5 s PRO 5 Ca 0.51 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 1xn5 s PRO 5 Cb -0.10 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.31 1xn5 s PRO 5 CO 0.27 -0.36 1.13 0.16 0.04 0.00 0.00 177.00 178.24 1xn5 s ASP 6 N -1.87 4.41 -0.95 6.66 1.47 -1.26 -4.98 116.67 120.15 1xn5 s ASP 6 Ca 0.65 1.06 -0.03 0.00 1.18 0.00 0.00 52.55 55.40 1xn5 s ASP 6 Cb -0.18 -1.71 0.23 0.00 -0.34 0.00 0.00 42.92 40.93 1xn5 s ASP 6 CO 0.22 -1.99 0.86 -0.63 0.68 0.00 0.00 175.17 174.31 1xn5 s ILE 7 N -3.32 4.73 -0.21 2.11 1.01 0.87 -4.98 121.20 121.41 1xn5 s ILE 7 Ca 0.61 -3.79 -0.05 0.00 0.00 0.00 0.00 60.65 57.42 1xn5 s ILE 7 Cb -0.13 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1xn5 s ILE 7 CO 0.52 -1.11 0.01 -0.75 0.00 0.00 0.00 174.94 173.61 1xn5 s LYS 8 N -1.36 3.59 0.26 2.79 2.20 -1.26 -0.23 119.74 125.72 1xn5 s LYS 8 Ca 0.28 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 1xn5 s LYS 8 Cb -0.08 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1xn5 s LYS 8 CO -0.12 -0.05 0.00 0.15 -0.36 0.00 0.00 175.35 174.98 1xn5 s LYS 9 N 1.17 1.43 -0.06 4.03 -0.14 -0.24 -4.98 119.74 120.94 1xn5 s LYS 9 Ca 0.03 -1.74 -0.09 0.00 -1.36 0.00 0.00 55.97 52.82 1xn5 s LYS 9 Cb -0.14 -0.72 0.02 0.00 -1.68 0.00 0.00 37.83 35.30 1xn5 s LYS 9 CO 0.01 -0.10 0.22 -2.00 -0.76 0.00 0.00 175.35 172.72 1xn5 s GLU 10 N -3.86 0.37 0.07 1.68 -6.30 -1.26 -0.41 118.70 108.99 1xn5 s GLU 10 Ca 0.30 0.10 -0.05 0.00 -2.50 0.00 0.00 54.97 52.83 1xn5 s GLU 10 Cb 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 34.13 34.34 1xn5 s GLU 10 CO 0.11 -0.07 0.09 0.14 0.02 0.00 0.00 175.26 175.55 1xn5 s VAL 11 N -0.38 0.18 -0.10 3.70 -7.23 -0.46 -5.03 120.40 111.08 1xn5 s VAL 11 Ca -0.05 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1xn5 s VAL 11 Cb -0.03 -1.40 0.02 0.00 0.56 0.00 0.00 36.38 35.52 1xn5 s VAL 11 CO 0.01 -0.80 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.27 1xn5 s ARG 12 N -3.84 2.01 0.11 4.82 3.52 -1.26 -2.26 118.95 122.05 1xn5 s ARG 12 Ca 0.05 -0.49 0.09 0.00 -0.13 0.00 0.00 55.73 55.25 1xn5 s ARG 12 Cb 0.06 -1.74 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 1xn5 s ARG 12 CO -0.10 -0.07 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.04 1xn5 s PHE 13 N 1.00 1.87 -0.53 5.12 0.08 -1.15 -5.03 117.98 119.34 1xn5 s PHE 13 Ca -0.07 -0.41 -0.21 0.00 0.12 0.00 0.00 56.93 56.36 1xn5 s PHE 13 Cb -0.15 -1.02 0.05 0.00 -0.57 0.00 0.00 43.02 41.34 1xn5 s PHE 13 CO -0.01 0.23 0.74 -0.80 -0.10 0.00 0.00 175.22 175.28 1xn5 s ASN 14 N -1.96 6.26 0.00 1.36 0.01 -1.26 -2.16 114.94 117.19 1xn5 s ASN 14 Ca 0.08 -0.74 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1xn5 s ASN 14 Cb -0.10 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1xn5 s ASN 14 CO 0.05 -1.02 0.00 0.00 -1.51 0.00 0.00 177.10 174.61 1xn5 n ALA 15 N 6.64 0.00 -2.44 0.60 0.00 -1.26 -4.88 120.51 119.17 1xn5 n ALA 15 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1xn5 n ALA 15 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 4.38 0.57 0.00 0.04 -1.26 -3.65 135.00 133.08 1xn5 s PRO 16 Ca 0.00 1.71 0.33 0.00 0.04 0.00 0.00 61.00 63.08 1xn5 s PRO 16 Cb 0.00 -3.50 1.42 0.00 0.04 0.00 0.00 34.50 32.46 1xn5 s PRO 16 CO 0.00 -0.39 1.72 0.97 0.04 0.00 0.00 177.00 179.34 1xn5 h ILE 17 N 4.87 0.29 -0.20 0.56 2.10 -1.97 0.53 117.51 123.68 1xn5 h ILE 17 Ca -0.36 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.60 1xn5 h ILE 17 Cb 1.18 0.37 -0.02 0.00 -1.09 0.00 0.00 36.82 37.25 1xn5 h ILE 17 CO 0.86 0.00 0.05 -0.08 -1.08 0.00 0.00 178.15 177.90 1xn5 h GLU 18 N 0.00 0.13 0.31 2.19 4.22 -1.98 1.23 114.58 120.69 1xn5 h GLU 18 Ca 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.88 1xn5 h GLU 18 Cb 2.14 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.37 1xn5 h GLU 18 CO -0.00 0.09 -0.15 -0.22 -2.18 0.00 0.00 179.01 176.54 1xn5 h LYS 19 N 0.13 -0.40 -0.35 1.92 3.64 -0.34 0.15 116.57 121.32 1xn5 h LYS 19 Ca 0.09 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1xn5 h LYS 19 Cb 0.07 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 1xn5 h LYS 19 CO -0.11 -0.14 -0.04 0.28 -2.27 0.00 0.00 179.45 177.17 1xn5 h VAL 20 N -0.64 0.70 0.26 2.00 2.07 -1.25 0.68 116.25 120.07 1xn5 h VAL 20 Ca -0.04 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1xn5 h VAL 20 Cb 0.46 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1xn5 h VAL 20 CO 0.07 0.01 -0.40 -0.25 0.02 0.00 0.00 177.57 177.02 1xn5 h TRP 21 N 0.05 -1.10 -0.17 1.57 -0.00 0.16 0.59 115.95 117.05 1xn5 h TRP 21 Ca 0.17 0.02 0.05 0.00 -0.00 0.00 0.00 58.89 59.12 1xn5 h TRP 21 Cb 0.25 0.45 -0.01 0.00 -0.00 0.00 0.00 29.16 29.85 1xn5 h TRP 21 CO -0.28 -0.52 0.22 0.93 -0.00 0.00 0.00 178.44 178.78 1xn5 h GLU 22 N -0.72 0.00 0.00 2.65 5.08 0.10 1.78 114.58 123.46 1xn5 h GLU 22 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xn5 h GLU 22 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xn5 h GLU 22 CO -0.15 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 177.52 1xn5 h ALA 23 N 1.73 0.81 -0.04 3.43 0.00 0.34 -2.87 119.26 122.66 1xn5 h ALA 23 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xn5 h ALA 23 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xn5 h ALA 23 CO -0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1xn5 n VAL 24 N -2.67 1.49 -0.03 0.00 0.24 0.32 -1.99 118.33 115.68 1xn5 n VAL 24 Ca 0.03 -1.64 -0.04 0.00 -2.04 0.00 0.00 64.34 60.66 1xn5 n VAL 24 Cb 0.50 0.11 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.87 3.55 -4.92 -1.34 3.41 0.52 -4.92 113.62 109.05 1xn5 n SER 25 Ca 0.09 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.49 1xn5 n SER 25 Cb 0.48 0.40 0.06 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.14 2.40 -0.17 6.66 -4.23 -1.09 -1.71 115.64 115.36 1xn5 s THR 26 Ca -0.05 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.40 1xn5 s THR 26 Cb 0.02 -2.58 -0.23 0.00 1.34 0.00 0.00 72.50 71.05 1xn5 s THR 26 CO 0.21 0.00 0.48 0.28 -0.54 0.00 0.00 174.62 175.05 1xn5 h SER 27 N 0.04 0.03 -0.86 3.99 0.02 -1.79 -3.01 113.55 111.98 1xn5 h SER 27 Ca -0.36 -0.75 0.05 0.00 -0.84 0.00 0.00 61.79 59.90 1xn5 h SER 27 Cb 1.28 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 1xn5 h SER 27 CO 0.43 1.29 0.54 -0.08 -1.14 0.00 0.00 176.83 177.88 1xn5 h GLU 28 N -0.94 0.99 -0.31 3.45 4.22 -1.88 0.76 114.58 120.86 1xn5 h GLU 28 Ca -0.20 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.10 1xn5 h GLU 28 Cb 1.21 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1xn5 h GLU 28 CO -0.10 0.65 -0.16 0.78 -2.18 0.00 0.00 179.01 178.00 1xn5 h GLY 29 N 1.02 0.59 0.25 1.92 0.00 -1.78 -0.91 103.07 104.16 1xn5 h GLY 29 Ca 0.36 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1xn5 h GLY 29 CO -0.15 0.40 -0.10 1.41 0.00 0.00 0.00 176.54 178.10 1xn5 h LEU 30 N 0.49 -0.23 -1.87 3.11 3.38 -0.58 -3.14 115.31 116.47 1xn5 h LEU 30 Ca 0.08 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1xn5 h LEU 30 Cb 0.57 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1xn5 h LEU 30 CO 0.04 0.28 0.41 0.00 0.09 0.00 0.00 178.44 179.26 1xn5 h ALA 31 N -0.84 1.62 -0.02 1.53 0.00 0.75 1.59 119.26 123.90 1xn5 h ALA 31 Ca -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xn5 h ALA 31 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xn5 h ALA 31 CO 0.05 -0.48 0.08 0.35 0.00 0.00 0.00 179.25 179.24 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.11 -3.34 116.94 115.53 1xn5 h PHE 32 Ca 0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1xn5 h PHE 32 Cb 0.89 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.40 1xn5 h PHE 32 CO 0.00 0.00 -0.07 -2.67 -2.02 0.00 0.00 178.31 173.55 1xn5 n TRP 33 N -3.23 0.00 0.00 0.41 4.27 0.17 -4.96 117.44 114.10 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 0.15 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.54 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 -2.49 0.00 -3.62 -2.67 7.35 0.49 -5.00 117.46 111.53 1xn5 n PHE 34 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 1xn5 n PHE 34 Cb 0.03 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.85 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 0.78 0.29 -4.13 -1.94 -1.23 -4.86 119.30 108.20 1xn5 s MET 35 Ca 0.00 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 1xn5 s MET 35 Cb 0.00 0.31 -0.12 0.00 2.01 0.00 0.00 34.83 37.03 1xn5 s MET 35 CO 0.00 -0.35 1.57 0.39 -0.01 0.00 0.00 175.02 176.62 1xn5 n GLU 36 N -0.33 2.62 -3.86 2.03 1.02 -1.26 -2.58 120.64 118.28 1xn5 n GLU 36 Ca -0.06 0.93 -0.05 0.00 -0.02 0.00 0.00 57.16 57.96 1xn5 n GLU 36 Cb 0.61 -2.70 0.02 0.00 -0.02 0.00 0.00 31.44 29.35 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 s ASN 37 N 0.47 0.02 -0.21 1.62 6.03 -1.26 -2.52 114.94 119.09 1xn5 s ASN 37 Ca 0.64 -0.88 0.14 0.00 -1.03 0.00 0.00 52.86 51.74 1xn5 s ASN 37 Cb -0.51 0.63 0.45 0.00 -3.03 0.00 0.00 41.25 38.79 1xn5 s ASN 37 CO 0.49 -1.26 1.19 0.47 -2.03 0.00 0.00 177.10 175.95 1xn5 n ASP 38 N -1.36 2.56 -4.77 3.54 8.00 -1.25 -4.67 116.55 118.61 1xn5 n ASP 38 Ca -0.05 -3.24 -0.35 0.00 0.71 0.00 0.00 54.79 51.87 1xn5 n ASP 38 Cb 0.59 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.87 3.65 0.00 0.64 0.20 -1.26 -4.85 118.68 114.19 1xn5 s LEU 39 Ca 0.40 2.19 0.18 0.00 0.69 0.00 0.00 54.13 57.59 1xn5 s LEU 39 Cb 0.38 -4.58 0.30 0.00 -0.43 0.00 0.00 46.19 41.86 1xn5 s LEU 39 CO -0.05 -1.40 1.10 0.29 -0.29 0.00 0.00 176.35 176.00 1xn5 n LYS 40 N -1.60 0.00 -3.78 1.98 5.02 -1.25 -2.61 118.16 115.92 1xn5 n LYS 40 Ca 0.12 -1.66 -0.29 0.00 -2.02 0.00 0.00 58.31 54.45 1xn5 n LYS 40 Cb 0.51 -0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.53 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 0.35 -2.69 -3.65 7.82 0.00 -0.70 -4.93 120.51 116.71 1xn5 n ALA 41 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 1xn5 n ALA 41 Cb 1.01 -1.79 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 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 -5.57 0.04 0.42 0.00 2.12 -1.26 -4.92 118.70 109.53 1xn5 s GLU 42 Ca 0.20 0.50 -0.26 0.00 0.36 0.00 0.00 54.97 55.77 1xn5 s GLU 42 Cb -0.10 -0.42 -0.08 0.00 0.26 0.00 0.00 34.13 33.78 1xn5 s GLU 42 CO 0.90 -0.35 1.33 -0.08 -0.54 0.00 0.00 175.26 176.52 1xn5 s THR 43 N 2.28 2.47 -0.85 -1.70 -1.32 -1.26 -2.27 115.64 112.98 1xn5 s THR 43 Ca 0.03 0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.93 1xn5 s THR 43 Cb -0.12 -3.24 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 1xn5 s THR 43 CO -0.06 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1xn5 n GLY 44 N 0.64 0.99 3.94 6.08 0.00 -1.17 -5.01 105.19 110.66 1xn5 n GLY 44 Ca 0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.30 2.94 -0.16 1.61 5.04 -0.96 -4.96 115.29 116.49 1xn5 s HIS 45 Ca 0.00 0.29 -0.02 0.00 -1.54 0.00 0.00 55.06 53.79 1xn5 s HIS 45 Cb 0.00 -2.96 0.05 0.00 0.04 0.00 0.00 32.58 29.71 1xn5 s HIS 45 CO 0.00 -1.12 0.02 -3.38 -2.34 0.00 0.00 174.74 167.91 1xn5 s HIS 46 N -3.02 1.03 0.01 3.88 -3.43 -1.26 -3.47 115.29 109.02 1xn5 s HIS 46 Ca 0.58 -0.73 -0.01 0.00 -0.80 0.00 0.00 55.06 54.10 1xn5 s HIS 46 Cb -0.11 -1.01 -0.01 0.00 -1.43 0.00 0.00 32.58 30.02 1xn5 s HIS 46 CO 0.42 -0.55 0.02 -0.59 -2.00 0.00 0.00 174.74 172.04 1xn5 s PHE 47 N 1.86 0.12 0.45 0.38 -0.71 -0.60 -5.03 117.98 114.45 1xn5 s PHE 47 Ca 0.01 -0.24 0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1xn5 s PHE 47 Cb -0.16 -0.09 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1xn5 s PHE 47 CO -0.07 -0.14 0.62 -1.01 -1.34 0.00 0.00 175.22 173.27 1xn5 s HIS 48 N -0.89 2.62 -0.06 3.49 3.76 -1.26 0.38 115.29 123.33 1xn5 s HIS 48 Ca -0.10 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1xn5 s HIS 48 Cb -0.06 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.25 1xn5 s HIS 48 CO -0.00 -0.56 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.04 1xn5 s LEU 49 N -4.42 1.66 -1.11 0.89 2.96 0.31 -3.92 118.68 115.03 1xn5 s LEU 49 Ca 0.56 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 54.10 1xn5 s LEU 49 Cb -0.09 -0.79 0.27 0.00 0.50 0.00 0.00 46.19 46.08 1xn5 s LEU 49 CO 0.34 0.04 1.12 -1.10 -1.32 0.00 0.00 176.35 175.43 1xn5 s GLN 50 N 0.59 4.19 0.48 1.98 -1.52 -1.05 -2.44 119.66 121.89 1xn5 s GLN 50 Ca -0.13 -3.18 0.01 0.00 -1.95 0.00 0.00 55.36 50.11 1xn5 s GLN 50 Cb -0.15 -4.58 0.01 0.00 -0.22 0.00 0.00 33.01 28.07 1xn5 s GLN 50 CO 0.03 -1.26 0.70 -1.54 -0.25 0.00 0.00 175.29 172.97 1xn5 s SER 51 N 1.40 5.67 0.14 5.90 1.04 -1.25 -4.45 113.70 122.15 1xn5 s SER 51 Ca 0.31 0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.89 1xn5 s SER 51 Cb -0.10 -1.33 -0.05 0.00 0.10 0.00 0.00 66.02 64.64 1xn5 s SER 51 CO -0.08 -0.83 1.34 1.55 0.98 0.00 0.00 173.24 176.20 1xn5 h PRO 52 N 0.30 0.43 0.00 4.02 0.13 -2.02 -3.07 132.00 131.80 1xn5 h PRO 52 Ca -0.45 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 64.25 1xn5 h PRO 52 Cb 1.27 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1xn5 h PRO 52 CO 0.56 1.07 -0.08 0.35 -0.23 0.00 0.00 178.00 179.67 1xn5 h PHE 53 N 0.26 0.00 0.00 1.56 3.04 -2.01 -3.47 116.94 116.33 1xn5 h PHE 53 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1xn5 h PHE 53 Cb 1.48 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.99 1xn5 h PHE 53 CO 0.06 0.08 0.00 0.41 -2.02 0.00 0.00 178.31 176.84 1xn5 n GLY 54 N -0.58 4.08 3.73 2.40 0.00 -1.16 -5.11 105.19 108.54 1xn5 n GLY 54 Ca -0.01 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.79 4.52 0.01 1.61 0.04 -1.26 -3.75 135.00 133.39 1xn5 s PRO 55 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1xn5 s PRO 55 Cb 0.00 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1xn5 s PRO 55 CO 0.00 -0.08 -0.03 -1.12 0.04 0.00 0.00 177.00 175.82 1xn5 s SER 56 N 0.43 0.25 0.62 6.66 0.01 -1.02 -5.01 113.70 115.63 1xn5 s SER 56 Ca 0.53 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 57.36 1xn5 s SER 56 Cb -0.29 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1xn5 s SER 56 CO 0.32 -0.15 1.05 -2.16 0.41 0.00 0.00 173.24 172.72 1xn5 s PRO 57 N -0.83 3.26 0.01 12.44 0.04 -1.26 -0.53 135.00 148.13 1xn5 s PRO 57 Ca -0.08 1.10 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 1xn5 s PRO 57 Cb -0.06 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xn5 s PRO 57 CO -0.00 -0.85 0.10 0.00 0.04 0.00 0.00 177.00 176.29 1xn5 s GLN 59 N -1.62 0.33 0.33 0.00 0.74 -1.21 -1.56 119.66 116.68 1xn5 s GLN 59 Ca -0.13 0.66 -0.27 0.00 0.05 0.00 0.00 55.36 55.66 1xn5 s GLN 59 Cb -0.07 -0.03 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 1xn5 s GLN 59 CO 0.00 -0.15 1.05 0.08 -0.55 0.00 0.00 175.29 175.72 1xn5 s VAL 60 N 1.19 3.71 -0.08 1.34 1.01 -1.23 -0.48 120.40 125.86 1xn5 s VAL 60 Ca -0.08 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.46 1xn5 s VAL 60 Cb -0.08 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1xn5 s VAL 60 CO -0.10 0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.56 1xn5 n THR 61 N 0.62 0.50 -3.67 3.92 -2.24 -1.09 -3.03 114.28 109.29 1xn5 n THR 61 Ca 0.02 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1xn5 n THR 61 Cb 0.48 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1xn5 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xn5 s ASP 62 N -4.08 -0.68 -0.30 3.42 2.15 -1.23 -4.74 116.67 111.21 1xn5 s ASP 62 Ca -0.05 1.21 -0.05 0.00 0.43 0.00 0.00 52.55 54.09 1xn5 s ASP 62 Cb 0.02 1.17 0.19 0.00 -0.30 0.00 0.00 42.92 44.00 1xn5 s ASP 62 CO 0.28 -0.21 0.81 0.54 -0.17 0.00 0.00 175.17 176.42 1xn5 s VAL 63 N 0.85 -0.68 -0.28 1.11 0.11 -1.26 -0.17 120.40 120.09 1xn5 s VAL 63 Ca -0.04 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1xn5 s VAL 63 Cb -0.05 -0.91 0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1xn5 s VAL 63 CO -0.07 0.00 0.44 -0.70 -3.33 0.00 0.00 175.10 171.44 1xn5 s GLU 64 N 2.90 0.43 0.45 1.54 2.56 -1.08 -4.47 118.70 121.03 1xn5 s GLU 64 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 54.97 55.52 1xn5 s GLU 64 Cb -0.11 -0.18 0.00 0.00 2.00 0.00 0.00 34.13 35.84 1xn5 s GLU 64 CO -0.18 -0.85 0.00 0.54 -0.56 0.00 0.00 175.26 174.20 1xn5 n ARG 65 N 5.37 -2.87 -1.51 4.30 3.00 -1.26 -3.95 116.66 119.75 1xn5 n ARG 65 Ca -0.00 2.16 -0.42 0.00 -0.01 0.00 0.00 57.85 59.58 1xn5 n ARG 65 Cb 0.50 -3.47 -0.03 0.00 0.00 0.00 0.00 32.46 29.46 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -4.11 2.17 0.00 5.56 -0.04 -1.26 -3.48 135.00 133.84 1xn5 n PRO 66 Ca -0.04 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1xn5 n PRO 66 Cb 0.67 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.71 0.00 -4.04 0.52 -6.64 -1.25 -4.07 119.36 109.59 1xn5 n ILE 67 Ca 0.50 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 61.33 1xn5 n ILE 67 Cb 0.40 -0.23 -0.15 0.00 -1.44 0.00 0.00 39.64 38.23 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 -1.68 0.35 -0.26 6.28 2.20 -1.23 -3.54 119.74 121.86 1xn5 s LYS 68 Ca 0.00 -0.07 -0.19 0.00 -0.36 0.00 0.00 55.97 55.35 1xn5 s LYS 68 Cb 0.00 -0.39 0.07 0.00 -1.51 0.00 0.00 37.83 36.00 1xn5 s LYS 68 CO 0.00 0.00 0.67 -1.17 -0.36 0.00 0.00 175.35 174.49 1xn5 s LEU 69 N 0.32 -0.74 -0.02 5.43 2.96 -0.79 -2.63 118.68 123.21 1xn5 s LEU 69 Ca -0.03 1.41 -0.17 0.00 -0.22 0.00 0.00 54.13 55.12 1xn5 s LEU 69 Cb -0.06 2.30 0.03 0.00 0.50 0.00 0.00 46.19 48.96 1xn5 s LEU 69 CO -0.01 -0.24 0.36 -0.55 -1.32 0.00 0.00 176.35 174.60 1xn5 s SER 70 N 1.06 -0.26 -0.18 3.68 0.15 0.76 0.13 113.70 119.05 1xn5 s SER 70 Ca -0.06 0.17 -0.21 0.00 0.70 0.00 0.00 55.95 56.55 1xn5 s SER 70 Cb -0.05 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 1xn5 s SER 70 CO -0.10 -0.48 0.57 0.72 1.20 0.00 0.00 173.24 175.15 1xn5 s PHE 71 N -1.36 -0.61 0.41 3.44 -0.71 -1.09 -2.66 117.98 115.40 1xn5 s PHE 71 Ca -0.13 1.41 -0.10 0.00 -1.04 0.00 0.00 56.93 57.07 1xn5 s PHE 71 Cb -0.04 0.23 -0.06 0.00 -1.21 0.00 0.00 43.02 41.94 1xn5 s PHE 71 CO 0.05 -0.35 0.78 0.95 -1.34 0.00 0.00 175.22 175.31 1xn5 s THR 72 N 0.01 4.78 -0.19 -4.49 -4.23 0.36 -3.30 115.64 108.59 1xn5 s THR 72 Ca -0.02 0.62 -0.10 0.00 -1.18 0.00 0.00 61.69 61.01 1xn5 s THR 72 Cb -0.04 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 70.13 1xn5 s THR 72 CO 0.02 -0.55 0.44 0.86 -0.54 0.00 0.00 174.62 174.85 1xn5 s TRP 73 N -2.41 -0.68 0.06 3.99 -0.00 -0.98 -3.29 118.94 115.63 1xn5 s TRP 73 Ca 0.51 1.41 0.00 0.00 -0.00 0.00 0.00 56.10 58.02 1xn5 s TRP 73 Cb -0.10 0.31 0.00 0.00 -0.00 0.00 0.00 33.47 33.68 1xn5 s TRP 73 CO 0.32 -0.38 0.00 -3.47 -0.00 0.00 0.00 176.95 173.42 1xn5 n ASP 74 N 4.40 -1.06 -0.09 5.86 2.03 -1.15 -3.57 116.55 122.98 1xn5 n ASP 74 Ca -0.21 0.12 -0.11 0.00 0.52 0.00 0.00 54.79 55.10 1xn5 n ASP 74 Cb 0.55 -0.56 -0.11 0.00 -0.72 0.00 0.00 41.12 40.27 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xn5 n THR 75 N -2.47 1.14 -0.23 5.18 -2.24 -1.26 -4.62 114.28 109.78 1xn5 n THR 75 Ca -0.00 -0.57 -0.06 0.00 -2.27 0.00 0.00 64.05 61.14 1xn5 n THR 75 Cb 0.08 -0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1xn5 h ASP 76 N 0.00 -1.23 0.00 3.42 1.82 -2.02 -3.44 116.42 114.97 1xn5 h ASP 76 Ca -0.45 0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1xn5 h ASP 76 Cb 1.85 0.54 0.00 0.00 0.68 0.00 0.00 39.33 42.40 1xn5 h ASP 76 CO -0.02 -0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.08 1xn5 n GLY 77 N -1.15 -0.98 2.94 -0.78 0.00 -1.26 -5.14 105.19 98.82 1xn5 n GLY 77 Ca 0.01 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 2.41 -0.00 1.61 0.51 -1.23 -4.48 118.94 117.75 1xn5 s TRP 78 Ca 0.00 -1.75 0.06 0.00 -2.12 0.00 0.00 56.10 52.29 1xn5 s TRP 78 Cb 0.00 -1.58 -0.02 0.00 -0.81 0.00 0.00 33.47 31.06 1xn5 s TRP 78 CO 0.00 -0.77 -0.18 -1.54 -0.51 0.00 0.00 176.95 173.94 1xn5 s SER 79 N 1.39 2.15 0.00 2.95 1.04 -1.14 -2.33 113.70 117.77 1xn5 s SER 79 Ca -0.06 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.06 1xn5 s SER 79 Cb -0.19 -0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1xn5 s SER 79 CO -0.06 0.20 -0.15 0.54 0.98 0.00 0.00 173.24 174.74 1xn5 s VAL 80 N -0.51 1.22 -0.04 5.02 0.11 -1.21 -2.42 120.40 122.57 1xn5 s VAL 80 Ca 0.07 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.41 1xn5 s VAL 80 Cb -0.07 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1xn5 s VAL 80 CO -0.00 0.26 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.92 1xn5 s THR 81 N -0.49 1.77 0.02 5.04 2.01 0.22 -2.69 115.64 121.52 1xn5 s THR 81 Ca 0.05 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1xn5 s THR 81 Cb -0.06 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1xn5 s THR 81 CO -0.00 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 174.07 1xn5 s PHE 82 N -0.17 3.05 -0.09 4.92 0.08 0.35 -1.35 117.98 124.77 1xn5 s PHE 82 Ca -0.01 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.07 1xn5 s PHE 82 Cb -0.12 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1xn5 s PHE 82 CO 0.02 0.46 0.03 -1.01 -0.10 0.00 0.00 175.22 174.62 1xn5 s HIS 83 N -1.15 0.55 0.18 0.36 3.76 0.11 -1.88 115.29 117.22 1xn5 s HIS 83 Ca 0.21 -0.19 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 1xn5 s HIS 83 Cb -0.12 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 1xn5 s HIS 83 CO 0.13 -0.36 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.06 1xn5 s LEU 84 N 2.01 2.98 -0.30 0.89 1.02 -1.23 -0.42 118.68 123.64 1xn5 s LEU 84 Ca 0.04 -0.58 -0.11 0.00 0.02 0.00 0.00 54.13 53.50 1xn5 s LEU 84 Cb -0.13 -1.66 0.17 0.00 0.02 0.00 0.00 46.19 44.59 1xn5 s LEU 84 CO -0.06 0.10 0.94 -1.59 0.02 0.00 0.00 176.35 175.76 1xn5 s LYS 85 N -2.85 0.30 0.37 1.70 -2.85 -0.73 -3.85 119.74 111.84 1xn5 s LYS 85 Ca 0.25 0.62 -0.28 0.00 -1.00 0.00 0.00 55.97 55.56 1xn5 s LYS 85 Cb -0.09 0.36 -0.10 0.00 -2.06 0.00 0.00 37.83 35.94 1xn5 s LYS 85 CO 0.15 -0.25 1.36 -2.00 0.10 0.00 0.00 175.35 174.71 1xn5 s GLU 86 N 2.76 4.14 0.09 1.78 -6.30 -1.26 -1.38 118.70 118.53 1xn5 s GLU 86 Ca 0.02 2.30 0.01 0.00 -2.50 0.00 0.00 54.97 54.81 1xn5 s GLU 86 Cb -0.10 -2.93 -0.01 0.00 0.00 0.00 0.00 34.13 31.10 1xn5 s GLU 86 CO -0.15 -0.41 0.05 0.39 0.02 0.00 0.00 175.26 175.16 1xn5 n GLU 87 N 0.45 0.53 0.12 4.30 -0.58 0.35 -4.88 120.64 120.92 1xn5 n GLU 87 Ca 0.02 -0.84 -0.11 0.00 -0.42 0.00 0.00 57.16 55.81 1xn5 n GLU 87 Cb 0.42 0.55 -0.07 0.00 -0.57 0.00 0.00 31.44 31.77 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xn5 h GLU 88 N 0.00 -0.35 -0.73 3.49 4.39 -2.00 -3.25 114.58 116.12 1xn5 h GLU 88 Ca -0.07 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.77 1xn5 h GLU 88 Cb 0.30 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 28.95 1xn5 h GLU 88 CO 0.11 -0.02 0.35 -0.91 -1.16 0.00 0.00 179.01 177.37 1xn5 h ASN 89 N -0.94 0.41 0.00 1.42 4.21 -1.98 -3.48 115.58 115.24 1xn5 h ASN 89 Ca -0.04 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.55 1xn5 h ASN 89 Cb 0.50 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1xn5 h ASN 89 CO 0.06 0.21 0.00 0.61 -1.29 0.00 0.00 177.43 177.02 1xn5 n GLY 90 N -1.31 -0.48 3.63 2.83 0.00 -1.23 -4.81 105.19 103.82 1xn5 n GLY 90 Ca 0.12 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.98 -0.19 2.61 2.01 -0.92 0.13 115.64 123.26 1xn5 s THR 91 Ca 0.00 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1xn5 s THR 91 Cb 0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1xn5 s THR 91 CO 0.00 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 173.91 1xn5 s ILE 92 N -0.88 4.47 -0.14 1.82 -1.09 -0.48 -2.91 121.20 122.00 1xn5 s ILE 92 Ca 0.14 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1xn5 s ILE 92 Cb -0.11 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1xn5 s ILE 92 CO 0.03 0.43 -0.15 0.12 -1.23 0.00 0.00 174.94 174.14 1xn5 s PHE 93 N 0.69 2.23 -0.11 3.97 2.19 -0.96 -1.78 117.98 124.21 1xn5 s PHE 93 Ca 0.02 -1.22 0.03 0.00 0.33 0.00 0.00 56.93 56.09 1xn5 s PHE 93 Cb -0.14 -1.61 0.01 0.00 -1.31 0.00 0.00 43.02 39.97 1xn5 s PHE 93 CO 0.02 -0.65 -0.21 0.99 1.83 0.00 0.00 175.22 177.20 1xn5 s THR 94 N 1.33 1.91 0.08 0.12 2.01 0.44 -1.36 115.64 120.18 1xn5 s THR 94 Ca 0.02 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1xn5 s THR 94 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1xn5 s THR 94 CO -0.09 0.52 0.02 -0.51 -0.69 0.00 0.00 174.62 173.87 1xn5 s ILE 95 N 0.60 4.13 -0.23 1.82 -1.16 0.45 -0.71 121.20 126.11 1xn5 s ILE 95 Ca -0.13 -0.93 -0.03 0.00 -0.51 0.00 0.00 60.65 59.05 1xn5 s ILE 95 Cb -0.17 -2.97 0.10 0.00 0.61 0.00 0.00 42.46 40.04 1xn5 s ILE 95 CO 0.04 0.13 0.22 -0.69 -2.81 0.00 0.00 174.94 171.83 1xn5 s VAL 96 N -1.32 -0.30 -0.26 4.00 1.01 -0.46 -1.08 120.40 121.99 1xn5 s VAL 96 Ca 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1xn5 s VAL 96 Cb -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1xn5 s VAL 96 CO 0.19 -0.33 -0.01 -2.28 0.00 0.00 0.00 175.10 172.66 1xn5 s HIS 97 N 2.30 3.09 0.16 5.22 5.04 0.67 -0.61 115.29 131.16 1xn5 s HIS 97 Ca 0.07 -1.33 0.05 0.00 -1.54 0.00 0.00 55.06 52.32 1xn5 s HIS 97 Cb -0.15 -2.12 -0.05 0.00 0.04 0.00 0.00 32.58 30.30 1xn5 s HIS 97 CO -0.20 -0.67 -0.11 -1.12 -2.34 0.00 0.00 174.74 170.31 1xn5 s SER 98 N 1.39 1.97 0.00 9.88 0.01 -1.02 -0.09 113.70 125.85 1xn5 s SER 98 Ca 0.01 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1xn5 s SER 98 Cb -0.17 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1xn5 s SER 98 CO -0.02 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1xn5 n GLY 99 N -0.25 0.12 3.53 3.44 0.00 -1.26 -2.87 105.19 107.89 1xn5 n GLY 99 Ca -0.09 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.20 0.10 1.61 0.52 -1.26 -4.78 118.94 117.34 1xn5 s TRP 100 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 56.10 55.28 1xn5 s TRP 100 Cb 0.00 -1.51 0.00 0.00 -1.15 0.00 0.00 33.47 30.82 1xn5 s TRP 100 CO 0.00 0.20 0.01 1.63 0.02 0.00 0.00 176.95 178.81 1xn5 n LYS 101 N -0.83 1.68 -1.55 4.98 5.02 -1.26 -4.80 118.16 121.41 1xn5 n LYS 101 Ca -0.04 -0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 55.13 1xn5 n LYS 101 Cb 0.67 0.17 0.02 0.00 -0.02 0.00 0.00 35.03 35.87 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xn5 n GLN 102 N -0.34 0.97 -1.94 1.97 7.27 -1.26 -3.42 117.38 120.62 1xn5 n GLN 102 Ca -0.03 0.35 -0.30 0.00 0.07 0.00 0.00 57.00 57.09 1xn5 n GLN 102 Cb 0.12 -1.87 -0.06 0.00 2.41 0.00 0.00 30.24 30.85 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xn5 n GLY 103 N 1.44 1.20 0.00 1.69 0.00 -1.26 -2.37 105.19 105.88 1xn5 n GLY 103 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 13.55 0.00 -4.67 1.61 9.92 -1.26 -5.09 116.55 130.61 1xn5 n ASP 104 Ca 0.45 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.29 1xn5 n ASP 104 Cb 0.46 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1xn5 s THR 105 N 0.00 3.16 0.50 -3.53 -4.23 -1.00 -4.92 115.64 105.63 1xn5 s THR 105 Ca 0.00 0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 1xn5 s THR 105 Cb 0.00 -3.21 -0.08 0.00 1.34 0.00 0.00 72.50 70.55 1xn5 s THR 105 CO 0.00 -0.02 0.99 -0.75 -0.54 0.00 0.00 174.62 174.30 1xn5 s LYS 106 N 3.86 3.92 -0.23 3.99 2.20 -1.26 -3.81 119.74 128.41 1xn5 s LYS 106 Ca 0.80 1.04 -0.22 0.00 -0.36 0.00 0.00 55.97 57.24 1xn5 s LYS 106 Cb -0.39 -2.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 1xn5 s LYS 106 CO 0.36 -0.29 0.70 0.08 -0.36 0.00 0.00 175.35 175.83 1xn5 s VAL 107 N -2.47 4.94 -0.10 4.02 1.01 -1.20 -4.86 120.40 121.75 1xn5 s VAL 107 Ca 0.61 1.30 0.15 0.00 0.00 0.00 0.00 61.98 64.04 1xn5 s VAL 107 Cb -0.11 -4.00 0.06 0.00 0.00 0.00 0.00 36.38 32.33 1xn5 s VAL 107 CO 0.27 0.02 1.48 1.05 0.00 0.00 0.00 175.10 177.92 1xn5 h GLU 108 N 7.71 0.00 0.00 2.72 4.11 -1.89 -2.38 114.58 124.85 1xn5 h GLU 108 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1xn5 h GLU 108 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1xn5 h GLU 108 CO 0.81 0.51 0.00 1.17 0.07 0.00 0.00 179.01 181.57 1xn5 n LYS 109 N -3.27 0.00 0.04 1.06 4.81 -1.26 -4.46 118.16 115.07 1xn5 n LYS 109 Ca 0.02 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1xn5 n LYS 109 Cb 0.72 -0.89 -0.01 0.00 0.02 0.00 0.00 35.03 34.86 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 h ALA 110 N -2.00 -0.76 0.00 3.14 0.00 -2.00 -3.48 119.26 114.16 1xn5 h ALA 110 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 110 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xn5 h ALA 110 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1xn5 n GLY 111 N -1.08 2.05 3.66 0.00 0.00 -0.90 -5.10 105.19 103.83 1xn5 n GLY 111 Ca -0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 1.00 0.94 4.61 0.00 -1.26 -4.31 121.76 122.74 1xn5 s ALA 112 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1xn5 s ALA 112 Cb 0.00 -3.20 0.07 0.00 0.00 0.00 0.00 23.12 19.99 1xn5 s ALA 112 CO 0.00 -2.80 0.61 0.39 0.00 0.00 0.00 175.76 173.97 1xn5 n GLU 113 N -4.18 -0.34 -0.09 0.00 1.02 -1.26 -3.21 120.64 112.57 1xn5 n GLU 113 Ca 0.06 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1xn5 n GLU 113 Cb 0.55 -2.00 -0.04 0.00 -0.02 0.00 0.00 31.44 29.93 1xn5 n GLU 113 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xn5 h SER 114 N -1.66 0.48 -0.00 1.62 0.87 -1.89 -0.49 113.55 112.48 1xn5 h SER 114 Ca -0.43 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 1xn5 h SER 114 Cb 1.28 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1xn5 h SER 114 CO 0.36 0.68 -0.01 0.00 -0.53 0.00 0.00 176.83 177.33 1xn5 h ALA 115 N 0.82 -0.01 -0.07 6.23 0.00 -1.91 0.94 119.26 125.25 1xn5 h ALA 115 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1xn5 h ALA 115 Cb 0.44 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1xn5 h ALA 115 CO 0.02 -0.51 -0.20 0.28 0.00 0.00 0.00 179.25 178.84 1xn5 h VAL 116 N -0.03 0.52 -0.90 0.00 2.07 -1.90 0.94 116.25 116.95 1xn5 h VAL 116 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xn5 h VAL 116 Cb 0.03 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1xn5 h VAL 116 CO -0.02 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.71 1xn5 h VAL 117 N -0.28 1.24 -0.06 2.57 2.07 -0.77 0.16 116.25 121.18 1xn5 h VAL 117 Ca 0.08 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1xn5 h VAL 117 Cb 0.39 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1xn5 h VAL 117 CO -0.23 0.25 -0.21 -0.74 0.02 0.00 0.00 177.57 176.65 1xn5 h HIS 118 N 1.24 -0.57 -0.39 1.57 6.17 0.24 1.37 115.15 124.77 1xn5 h HIS 118 Ca 0.33 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.42 1xn5 h HIS 118 Cb -0.08 0.26 -0.02 0.00 2.52 0.00 0.00 27.41 30.09 1xn5 h HIS 118 CO 0.00 -0.30 0.21 0.93 0.71 0.00 0.00 177.93 179.49 1xn5 h GLU 119 N -0.31 0.55 0.62 5.26 5.08 -0.41 0.49 114.58 125.86 1xn5 h GLU 119 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1xn5 h GLU 119 Cb 0.42 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1xn5 h GLU 119 CO -0.24 0.46 -0.30 0.00 -1.00 0.00 0.00 179.01 177.93 1xn5 h ARG 120 N 0.51 -0.80 -0.09 2.33 3.08 -0.32 0.99 114.38 120.07 1xn5 h ARG 120 Ca 0.14 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1xn5 h ARG 120 Cb 0.07 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1xn5 h ARG 120 CO -0.02 -0.53 -0.03 0.52 -1.07 0.00 0.00 179.97 178.84 1xn5 h MET 121 N -0.84 -0.01 -0.40 0.04 2.86 0.19 -2.15 114.93 114.63 1xn5 h MET 121 Ca -0.09 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1xn5 h MET 121 Cb 0.64 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.23 1xn5 h MET 121 CO 0.14 -0.00 -0.09 0.22 1.06 0.00 0.00 176.91 178.24 1xn5 h ASP 122 N -0.01 -0.35 -0.17 1.22 3.58 0.06 1.37 116.42 122.13 1xn5 h ASP 122 Ca 0.05 0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.65 1xn5 h ASP 122 Cb 0.08 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.29 1xn5 h ASP 122 CO -0.10 -0.12 -0.51 0.03 -2.88 0.00 0.00 179.24 175.65 1xn5 h ARG 123 N 0.01 -0.52 -0.35 0.28 2.47 -0.34 0.78 114.38 116.71 1xn5 h ARG 123 Ca 0.19 0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.88 1xn5 h ARG 123 Cb 0.29 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1xn5 h ARG 123 CO -0.40 -0.34 -0.05 0.78 0.56 0.00 0.00 179.97 180.52 1xn5 h GLY 124 N -0.54 0.61 0.94 0.04 0.00 -0.76 0.60 103.07 103.97 1xn5 h GLY 124 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xn5 h GLY 124 CO -0.45 0.37 0.29 1.49 0.00 0.00 0.00 176.54 178.23 1xn5 h TRP 125 N 0.53 0.54 0.34 5.60 4.06 0.34 0.85 115.95 128.22 1xn5 h TRP 125 Ca 0.11 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1xn5 h TRP 125 Cb 0.42 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1xn5 h TRP 125 CO 0.02 0.33 -0.16 1.25 -3.56 0.00 0.00 178.44 176.31 1xn5 h HIS 126 N 0.58 -0.42 -0.84 0.49 2.76 0.97 -1.29 115.15 117.39 1xn5 h HIS 126 Ca 0.18 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.52 1xn5 h HIS 126 Cb -0.03 0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 1xn5 h HIS 126 CO -0.06 -0.09 0.56 -0.44 -1.30 0.00 0.00 177.93 176.60 1xn5 h ASP 127 N -0.81 0.38 0.26 3.26 3.32 -0.69 0.14 116.42 122.28 1xn5 h ASP 127 Ca -0.05 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1xn5 h ASP 127 Cb 0.52 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xn5 h ASP 127 CO 0.08 0.17 -0.12 0.25 -1.72 0.00 0.00 179.24 177.89 1xn5 h LEU 128 N 0.39 -0.29 -3.58 1.55 5.85 0.96 -2.78 115.31 117.41 1xn5 h LEU 128 Ca 0.43 -0.15 -0.41 0.00 0.84 0.00 0.00 57.88 58.60 1xn5 h LEU 128 Cb 1.07 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 1xn5 h LEU 128 CO -0.15 -0.02 0.53 0.55 -0.34 0.00 0.00 178.44 179.01 1xn5 n VAL 129 N -5.14 2.95 0.04 1.05 3.14 -0.12 -1.44 118.33 118.81 1xn5 n VAL 129 Ca -0.09 -1.92 0.00 0.00 -2.96 0.00 0.00 64.34 59.37 1xn5 n VAL 129 Cb 0.23 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 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 -0.01 0.82 0.00 6.55 5.03 0.30 -4.64 115.26 123.32 1xn5 n ASN 130 Ca 0.38 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.96 1xn5 n ASN 130 Cb 0.65 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.17 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1xn5 n GLU 131 N -3.39 0.00 -0.34 3.52 -0.00 -1.14 -4.37 120.64 114.92 1xn5 n GLU 131 Ca 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 57.16 57.40 1xn5 n GLU 131 Cb 0.10 -0.65 0.52 0.00 -0.00 0.00 0.00 31.44 31.41 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 0.36 0.10 3.44 2.47 -1.59 0.65 114.38 119.81 1xn5 h ARG 132 Ca 0.00 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 58.48 1xn5 h ARG 132 Cb 0.63 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1xn5 h ARG 132 CO 0.00 0.24 -1.06 1.25 0.56 0.00 0.00 179.97 180.95 1xn5 h LEU 133 N 0.37 0.33 -1.55 3.04 5.85 -1.53 -3.32 115.31 118.50 1xn5 h LEU 133 Ca 0.62 -0.87 0.18 0.00 0.84 0.00 0.00 57.88 58.66 1xn5 h LEU 133 Cb 1.61 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.47 1xn5 h LEU 133 CO -0.32 1.47 0.56 -0.09 -0.34 0.00 0.00 178.44 179.72 1xn5 h ARG 134 N -0.47 0.39 0.00 1.25 2.43 -1.12 0.65 114.38 117.51 1xn5 h ARG 134 Ca -0.23 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1xn5 h ARG 134 Cb 1.59 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 1xn5 h ARG 134 CO 0.05 0.26 -0.19 0.37 -1.51 0.00 0.00 179.97 178.95 1xn5 h GLN 135 N 0.40 0.00 0.00 0.20 4.15 0.10 1.37 115.11 121.33 1xn5 h GLN 135 Ca 0.43 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.83 1xn5 h GLN 135 Cb 1.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.75 1xn5 h GLN 135 CO -0.15 0.19 -0.10 0.82 -1.93 0.00 0.00 178.83 177.66 1xn5 h ILE 136 N 0.00 0.41 0.00 2.39 1.08 0.22 -2.48 117.51 119.13 1xn5 h ILE 136 Ca -0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1xn5 h ILE 136 Cb 0.38 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 1xn5 h ILE 136 CO 0.03 0.10 -1.24 1.33 -0.69 0.00 0.00 178.15 177.68 1xn5 n VAL 137 N -3.46 0.00 0.58 1.67 0.24 -0.27 -5.01 118.33 112.08 1xn5 n VAL 137 Ca -0.01 -0.24 0.07 0.00 -2.04 0.00 0.00 64.34 62.11 1xn5 n VAL 137 Cb 0.25 0.44 0.06 0.00 -1.47 0.00 0.00 33.84 33.12 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07