#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 0.16 0.43 1.12 -4.23 -1.26 -5.17 115.64 106.69 1xn5 s THR 2 Ca 0.00 -1.34 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1xn5 s THR 2 Cb 0.00 -0.93 0.07 0.00 1.34 0.00 0.00 72.50 72.99 1xn5 s THR 2 CO 0.00 -0.74 0.59 -2.11 -0.54 0.00 0.00 174.62 171.82 1xn5 n ARG 3 N 0.80 0.64 -2.51 3.99 0.00 -1.26 -4.38 116.66 113.94 1xn5 n ARG 3 Ca -0.19 -2.20 -0.43 0.00 -0.00 0.00 0.00 57.85 55.04 1xn5 n ARG 3 Cb 0.58 -0.21 -0.02 0.00 -0.00 0.00 0.00 32.46 32.81 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xn5 s LEU 4 N 0.00 3.85 0.80 2.89 1.43 -1.19 -4.69 118.68 121.76 1xn5 s LEU 4 Ca 0.44 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1xn5 s LEU 4 Cb -0.03 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.71 1xn5 s LEU 4 CO 0.28 -1.06 1.10 -2.16 0.23 0.00 0.00 176.35 174.73 1xn5 s PRO 5 N 4.09 2.08 0.05 1.29 0.04 -1.26 -4.75 135.00 136.53 1xn5 s PRO 5 Ca 0.52 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.90 1xn5 s PRO 5 Cb -0.14 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1xn5 s PRO 5 CO 0.22 -1.62 1.75 0.16 0.04 0.00 0.00 177.00 177.55 1xn5 s ASP 6 N -3.90 6.55 -0.83 6.66 1.47 -1.26 -4.84 116.67 120.52 1xn5 s ASP 6 Ca 0.61 2.53 -0.26 0.00 1.18 0.00 0.00 52.55 56.61 1xn5 s ASP 6 Cb -0.14 -2.55 -0.11 0.00 -0.34 0.00 0.00 42.92 39.77 1xn5 s ASP 6 CO 0.54 -0.95 2.28 -0.63 0.68 0.00 0.00 175.17 177.09 1xn5 s ILE 7 N 3.32 3.13 -0.17 2.11 1.01 0.40 -4.82 121.20 126.18 1xn5 s ILE 7 Ca 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.31 1xn5 s ILE 7 Cb -0.40 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1xn5 s ILE 7 CO 0.34 -0.27 -0.11 -0.75 0.00 0.00 0.00 174.94 174.16 1xn5 s LYS 8 N 8.39 3.32 0.23 2.79 2.20 -1.26 0.93 119.74 136.35 1xn5 s LYS 8 Ca 0.86 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 1xn5 s LYS 8 Cb -0.11 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1xn5 s LYS 8 CO 0.06 0.00 0.01 0.15 -0.36 0.00 0.00 175.35 175.20 1xn5 s LYS 9 N 0.90 1.33 -0.16 4.03 3.01 -0.44 -5.00 119.74 123.42 1xn5 s LYS 9 Ca -0.03 -1.68 -0.15 0.00 -1.01 0.00 0.00 55.97 53.11 1xn5 s LYS 9 Cb -0.15 -0.57 0.04 0.00 -1.01 0.00 0.00 37.83 36.14 1xn5 s LYS 9 CO -0.00 -0.12 0.43 -2.00 0.51 0.00 0.00 175.35 174.17 1xn5 s GLU 10 N -3.88 0.50 0.04 1.68 -6.30 -1.26 -0.66 118.70 108.81 1xn5 s GLU 10 Ca 0.29 0.60 -0.00 0.00 -2.50 0.00 0.00 54.97 53.36 1xn5 s GLU 10 Cb 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 34.13 34.40 1xn5 s GLU 10 CO 0.09 -0.06 -0.04 0.14 0.02 0.00 0.00 175.26 175.41 1xn5 s VAL 11 N 0.25 0.24 -0.17 3.70 -7.23 0.41 -5.01 120.40 112.59 1xn5 s VAL 11 Ca -0.00 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1xn5 s VAL 11 Cb -0.03 -0.85 0.03 0.00 0.56 0.00 0.00 36.38 36.09 1xn5 s VAL 11 CO 0.00 -0.70 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.39 1xn5 s ARG 12 N -2.53 1.96 0.12 4.82 3.52 -1.26 -1.41 118.95 124.18 1xn5 s ARG 12 Ca -0.05 -0.62 0.09 0.00 -0.13 0.00 0.00 55.73 55.02 1xn5 s ARG 12 Cb -0.02 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 1xn5 s ARG 12 CO -0.04 -0.34 -0.16 -0.06 -0.81 0.00 0.00 175.30 173.88 1xn5 s PHE 13 N 1.51 2.56 -0.58 5.12 0.08 -1.11 -5.01 117.98 120.55 1xn5 s PHE 13 Ca 0.02 -0.25 -0.20 0.00 0.12 0.00 0.00 56.93 56.62 1xn5 s PHE 13 Cb -0.14 -1.34 0.08 0.00 -0.57 0.00 0.00 43.02 41.04 1xn5 s PHE 13 CO -0.09 0.41 0.76 -0.80 -0.10 0.00 0.00 175.22 175.40 1xn5 s ASN 14 N -2.24 6.20 -0.11 1.36 0.01 -1.26 -1.92 114.94 116.98 1xn5 s ASN 14 Ca 0.19 -1.10 -0.33 0.00 -0.71 0.00 0.00 52.86 50.91 1xn5 s ASN 14 Cb -0.10 -2.34 0.14 0.00 0.41 0.00 0.00 41.25 39.37 1xn5 s ASN 14 CO 0.11 -1.14 1.40 0.00 -1.51 0.00 0.00 177.10 175.96 1xn5 s ALA 15 N 3.08 -2.41 0.07 0.60 0.00 -1.26 -4.89 121.76 116.96 1xn5 s ALA 15 Ca 0.16 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1xn5 s ALA 15 Cb -0.20 0.16 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 1xn5 s ALA 15 CO 0.10 -0.98 1.16 -1.25 0.00 0.00 0.00 175.76 174.79 1xn5 s PRO 16 N -2.11 4.47 0.58 0.00 0.04 -1.26 -3.77 135.00 132.94 1xn5 s PRO 16 Ca 0.14 1.72 0.28 0.00 0.04 0.00 0.00 61.00 63.18 1xn5 s PRO 16 Cb 0.06 -3.35 1.54 0.00 0.04 0.00 0.00 34.50 32.79 1xn5 s PRO 16 CO -0.06 -0.19 2.02 0.97 0.04 0.00 0.00 177.00 179.78 1xn5 h ILE 17 N 4.44 0.50 0.00 0.56 2.10 -1.98 0.61 117.51 123.75 1xn5 h ILE 17 Ca -0.42 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.48 1xn5 h ILE 17 Cb 1.21 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 1xn5 h ILE 17 CO 0.79 0.00 -0.20 -0.08 -1.08 0.00 0.00 178.15 177.58 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.22 -1.98 0.75 114.58 119.76 1xn5 h GLU 18 Ca 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.57 1xn5 h GLU 18 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1xn5 h GLU 18 CO -0.00 0.20 -0.24 -0.22 -2.18 0.00 0.00 179.01 176.57 1xn5 h LYS 19 N 0.00 0.00 -0.72 1.92 3.64 -0.17 -2.83 116.57 118.42 1xn5 h LYS 19 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xn5 h LYS 19 Cb 0.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1xn5 h LYS 19 CO 0.03 0.30 0.47 0.28 -2.27 0.00 0.00 179.45 178.26 1xn5 h VAL 20 N -1.00 1.03 -0.18 2.00 2.07 -1.35 0.69 116.25 119.50 1xn5 h VAL 20 Ca -0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xn5 h VAL 20 Cb 0.45 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1xn5 h VAL 20 CO -0.02 0.14 0.09 -0.25 0.02 0.00 0.00 177.57 177.55 1xn5 h TRP 21 N 0.75 0.26 0.00 1.57 -0.00 0.39 -0.27 115.95 118.65 1xn5 h TRP 21 Ca 0.31 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.14 1xn5 h TRP 21 Cb 0.24 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1xn5 h TRP 21 CO -0.00 0.27 -0.25 0.93 -0.00 0.00 0.00 178.44 179.39 1xn5 h GLU 22 N 0.18 0.00 0.00 2.65 5.08 -0.86 -0.49 114.58 121.14 1xn5 h GLU 22 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xn5 h GLU 22 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xn5 h GLU 22 CO -0.01 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1xn5 h ALA 23 N 1.75 1.00 -0.16 3.43 0.00 0.12 -0.77 119.26 124.64 1xn5 h ALA 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn5 h ALA 23 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xn5 h ALA 23 CO 0.03 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.61 1xn5 n VAL 24 N -2.67 1.35 -0.02 0.00 0.24 -0.20 -2.71 118.33 114.33 1xn5 n VAL 24 Ca 0.03 -1.34 -0.02 0.00 -2.04 0.00 0.00 64.34 60.97 1xn5 n VAL 24 Cb 0.39 0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.32 3.94 -4.93 -1.34 3.41 -0.28 -4.92 113.62 109.19 1xn5 n SER 25 Ca 0.10 -0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.44 1xn5 n SER 25 Cb 0.47 0.15 0.05 0.00 -0.26 0.00 0.00 64.21 64.62 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 -2.07 3.04 -0.10 6.66 -4.23 -0.32 -2.53 115.64 116.09 1xn5 s THR 26 Ca -0.03 -0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 1xn5 s THR 26 Cb 0.01 -3.25 -0.27 0.00 1.34 0.00 0.00 72.50 70.33 1xn5 s THR 26 CO 0.09 -0.25 0.51 0.28 -0.54 0.00 0.00 174.62 174.71 1xn5 h SER 27 N -0.34 0.43 -0.32 3.99 0.02 -1.86 -2.89 113.55 112.58 1xn5 h SER 27 Ca -0.45 -0.88 -0.07 0.00 -0.84 0.00 0.00 61.79 59.55 1xn5 h SER 27 Cb 1.28 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1xn5 h SER 27 CO 0.60 1.72 -0.02 -0.08 -1.14 0.00 0.00 176.83 177.91 1xn5 h GLU 28 N -0.14 0.69 -0.02 3.45 4.22 -1.90 0.48 114.58 121.36 1xn5 h GLU 28 Ca -0.35 -0.18 -0.17 0.00 0.08 0.00 0.00 59.36 58.74 1xn5 h GLU 28 Cb 1.89 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1xn5 h GLU 28 CO 0.08 0.73 -0.76 0.78 -2.18 0.00 0.00 179.01 177.65 1xn5 h GLY 29 N 0.94 0.18 0.17 1.92 0.00 -1.82 -2.48 103.07 101.99 1xn5 h GLY 29 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1xn5 h GLY 29 CO 0.02 0.25 -0.05 1.41 0.00 0.00 0.00 176.54 178.17 1xn5 h LEU 30 N 0.11 -0.12 -1.99 3.11 3.38 -1.23 -3.17 115.31 115.40 1xn5 h LEU 30 Ca -0.02 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xn5 h LEU 30 Cb 1.34 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1xn5 h LEU 30 CO 0.11 0.48 0.28 0.00 0.09 0.00 0.00 178.44 179.40 1xn5 h ALA 31 N -0.62 1.27 0.00 1.53 0.00 0.10 1.73 119.26 123.27 1xn5 h ALA 31 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 31 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xn5 h ALA 31 CO 0.02 -0.27 -0.04 0.35 0.00 0.00 0.00 179.25 179.31 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.41 -3.34 116.94 115.24 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 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1xn5 h PHE 32 CO 0.00 0.04 -0.31 -2.67 -2.02 0.00 0.00 178.31 173.36 1xn5 n TRP 33 N -3.53 -0.02 0.00 0.41 4.27 0.15 -4.94 117.44 113.78 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 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 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 -2.66 0.00 -3.61 -2.67 7.35 0.54 -4.96 117.46 111.44 1xn5 n PHE 34 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 1xn5 n PHE 34 Cb 0.15 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.97 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 -0.04 0.44 0.15 -4.13 -1.94 -1.22 -4.87 119.30 107.69 1xn5 s MET 35 Ca 0.00 -0.22 -0.32 0.00 -1.71 0.00 0.00 55.69 53.44 1xn5 s MET 35 Cb 0.00 0.17 -0.12 0.00 2.01 0.00 0.00 34.83 36.89 1xn5 s MET 35 CO 0.00 -0.20 1.73 0.39 -0.01 0.00 0.00 175.02 176.93 1xn5 n GLU 36 N -0.32 2.59 -3.92 2.03 1.02 -1.26 -2.87 120.64 117.91 1xn5 n GLU 36 Ca -0.05 0.94 -0.10 0.00 -0.02 0.00 0.00 57.16 57.92 1xn5 n GLU 36 Cb 0.61 -2.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.24 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 1.76 0.26 -0.18 1.62 2.20 -1.26 -2.87 114.94 116.46 1xn5 s ASN 37 Ca 0.79 -1.18 0.13 0.00 -0.94 0.00 0.00 52.86 51.67 1xn5 s ASN 37 Cb -0.55 0.75 0.38 0.00 -2.00 0.00 0.00 41.25 39.83 1xn5 s ASN 37 CO 0.36 -1.48 1.20 -0.67 -2.94 0.00 0.00 177.10 173.58 1xn5 n ASP 38 N -1.21 1.78 -4.74 3.54 -0.08 -1.24 -4.78 116.55 109.81 1xn5 n ASP 38 Ca -0.04 -3.59 -0.35 0.00 -1.51 0.00 0.00 54.79 49.30 1xn5 n ASP 38 Cb 0.61 -0.49 0.06 0.00 2.34 0.00 0.00 41.12 43.63 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 -2.92 3.51 0.00 -2.67 0.20 -1.26 -4.78 118.68 110.75 1xn5 s LEU 39 Ca 0.36 2.33 0.05 0.00 0.69 0.00 0.00 54.13 57.56 1xn5 s LEU 39 Cb 0.35 -4.59 0.08 0.00 -0.43 0.00 0.00 46.19 41.60 1xn5 s LEU 39 CO -0.05 -1.83 0.91 1.17 -0.29 0.00 0.00 176.35 176.26 1xn5 n LYS 40 N -2.08 0.00 -3.42 1.98 4.81 -1.25 -3.37 118.16 114.83 1xn5 n LYS 40 Ca 0.13 -0.94 -0.12 0.00 -0.87 0.00 0.00 58.31 56.50 1xn5 n LYS 40 Cb 0.50 -0.18 0.00 0.00 0.02 0.00 0.00 35.03 35.37 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 0.09 -2.64 -3.59 3.14 0.00 -1.05 -4.93 120.51 111.53 1xn5 n ALA 41 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1xn5 n ALA 41 Cb 0.74 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.80 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 -4.01 0.21 0.36 0.00 2.12 -1.26 -4.96 118.70 111.15 1xn5 s GLU 42 Ca 0.02 0.65 -0.27 0.00 0.36 0.00 0.00 54.97 55.73 1xn5 s GLU 42 Cb -0.01 -0.27 -0.12 0.00 0.26 0.00 0.00 34.13 34.00 1xn5 s GLU 42 CO 0.82 -0.40 1.25 -2.37 -0.54 0.00 0.00 175.26 174.02 1xn5 n THR 43 N 5.35 2.12 -1.94 -1.70 5.66 -1.26 -1.40 114.28 121.11 1xn5 n THR 43 Ca -0.06 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.30 1xn5 n THR 43 Cb 0.50 -1.51 -0.03 0.00 -1.55 0.00 0.00 70.33 67.74 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 0.83 0.41 3.89 1.09 0.00 -0.96 -4.99 105.19 105.46 1xn5 n GLY 44 Ca 0.06 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.62 3.50 -0.21 1.61 5.04 -0.49 -4.90 115.29 117.21 1xn5 s HIS 45 Ca 0.00 0.85 0.01 0.00 -1.54 0.00 0.00 55.06 54.38 1xn5 s HIS 45 Cb 0.00 -2.30 0.04 0.00 0.04 0.00 0.00 32.58 30.37 1xn5 s HIS 45 CO 0.00 -0.07 -0.12 -3.38 -2.34 0.00 0.00 174.74 168.83 1xn5 s HIS 46 N -2.39 2.64 -0.02 3.88 -3.43 -1.26 -2.60 115.29 112.11 1xn5 s HIS 46 Ca 0.48 -1.74 -0.00 0.00 -0.80 0.00 0.00 55.06 53.00 1xn5 s HIS 46 Cb -0.10 -1.74 0.03 0.00 -1.43 0.00 0.00 32.58 29.33 1xn5 s HIS 46 CO 0.35 -0.78 0.04 -0.59 -2.00 0.00 0.00 174.74 171.75 1xn5 s PHE 47 N 1.32 0.02 0.53 0.38 -0.12 -0.99 -4.96 117.98 114.16 1xn5 s PHE 47 Ca -0.01 0.15 -0.07 0.00 -0.05 0.00 0.00 56.93 56.95 1xn5 s PHE 47 Cb -0.16 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.96 1xn5 s PHE 47 CO -0.08 -0.10 0.87 -1.01 -0.05 0.00 0.00 175.22 174.85 1xn5 s HIS 48 N 1.10 3.54 -0.03 3.49 3.76 -1.26 -1.68 115.29 124.22 1xn5 s HIS 48 Ca -0.09 0.92 0.06 0.00 -0.15 0.00 0.00 55.06 55.81 1xn5 s HIS 48 Cb -0.13 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.08 1xn5 s HIS 48 CO -0.03 -0.46 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.01 1xn5 s LEU 49 N -4.89 2.03 -0.97 0.89 2.96 0.12 -3.72 118.68 115.09 1xn5 s LEU 49 Ca 0.50 -0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 1xn5 s LEU 49 Cb -0.10 -1.17 0.25 0.00 0.50 0.00 0.00 46.19 45.67 1xn5 s LEU 49 CO 0.47 0.25 0.98 0.00 -1.32 0.00 0.00 176.35 176.74 1xn5 n GLN 50 N 2.68 3.15 -2.52 1.98 1.13 -1.14 -2.14 117.38 120.53 1xn5 n GLN 50 Ca -0.16 -4.50 -0.27 0.00 -1.94 0.00 0.00 57.00 50.12 1xn5 n GLN 50 Cb 0.52 -2.45 0.01 0.00 0.11 0.00 0.00 30.24 28.43 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 -0.15 6.10 0.00 1.08 1.04 -1.25 -4.64 113.70 115.88 1xn5 s SER 51 Ca 0.30 0.91 0.22 0.00 0.48 0.00 0.00 55.95 57.86 1xn5 s SER 51 Cb -0.05 -2.13 0.93 0.00 0.10 0.00 0.00 66.02 64.88 1xn5 s SER 51 CO -0.07 -0.72 1.70 -0.81 0.98 0.00 0.00 173.24 174.32 1xn5 n PRO 52 N -2.38 0.00 -1.22 4.02 -0.04 -1.26 -2.83 135.00 131.30 1xn5 n PRO 52 Ca 0.02 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.41 1xn5 n PRO 52 Cb 0.56 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 1xn5 n PRO 52 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xn5 n PHE 53 N -1.50 2.29 0.00 0.54 3.72 -1.26 -5.03 117.46 116.22 1xn5 n PHE 53 Ca 0.05 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.36 1xn5 n PHE 53 Cb 0.26 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn5 n GLY 54 N -1.02 1.22 3.75 1.37 0.00 -1.13 -4.99 105.19 104.40 1xn5 n GLY 54 Ca 0.48 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.85 4.64 -0.00 1.61 0.04 -1.26 -3.75 135.00 132.42 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 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1xn5 s PRO 55 CO 0.00 0.19 -0.06 -1.12 0.04 0.00 0.00 177.00 176.05 1xn5 s SER 56 N -0.65 0.69 0.64 6.66 0.01 -0.91 -4.99 113.70 115.14 1xn5 s SER 56 Ca 0.46 -0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 1xn5 s SER 56 Cb -0.31 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.82 1xn5 s SER 56 CO 0.39 0.07 1.05 -2.16 0.41 0.00 0.00 173.24 173.00 1xn5 s PRO 57 N -0.12 3.17 0.01 12.44 0.04 -1.26 -0.71 135.00 148.58 1xn5 s PRO 57 Ca 0.02 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.06 1xn5 s PRO 57 Cb -0.02 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xn5 s PRO 57 CO -0.00 -0.92 0.12 0.00 0.04 0.00 0.00 177.00 176.24 1xn5 s GLN 59 N -1.72 0.25 0.22 0.00 0.74 -1.08 -2.35 119.66 115.73 1xn5 s GLN 59 Ca -0.12 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 55.60 1xn5 s GLN 59 Cb -0.06 -0.09 -0.08 0.00 1.10 0.00 0.00 33.01 33.87 1xn5 s GLN 59 CO -0.00 -0.17 1.08 0.08 -0.55 0.00 0.00 175.29 175.73 1xn5 s VAL 60 N 1.34 3.76 -0.14 1.34 1.01 -1.07 -1.11 120.40 125.53 1xn5 s VAL 60 Ca -0.09 1.64 0.12 0.00 0.00 0.00 0.00 61.98 63.65 1xn5 s VAL 60 Cb -0.10 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 1xn5 s VAL 60 CO -0.10 0.33 0.04 0.35 0.00 0.00 0.00 175.10 175.73 1xn5 n THR 61 N 1.84 0.97 -3.64 3.92 -2.24 -1.19 -2.26 114.28 111.69 1xn5 n THR 61 Ca 0.01 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1xn5 n THR 61 Cb 0.46 -0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 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 -4.76 -0.84 -0.30 3.42 1.01 -1.24 -4.73 116.67 109.22 1xn5 s ASP 62 Ca -0.07 1.44 -0.00 0.00 0.71 0.00 0.00 52.55 54.63 1xn5 s ASP 62 Cb 0.04 1.40 0.19 0.00 1.01 0.00 0.00 42.92 45.56 1xn5 s ASP 62 CO 0.58 -0.24 0.61 0.54 0.21 0.00 0.00 175.17 176.87 1xn5 s VAL 63 N 1.10 -0.98 -0.28 -1.27 0.11 -1.26 -1.04 120.40 116.78 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 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1xn5 s VAL 63 CO -0.11 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.43 1xn5 s GLU 64 N 2.86 0.46 0.44 1.54 2.12 -1.19 -4.45 118.70 120.47 1xn5 s GLU 64 Ca 0.19 0.49 0.00 0.00 0.36 0.00 0.00 54.97 56.01 1xn5 s GLU 64 Cb -0.14 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.18 1xn5 s GLU 64 CO -0.21 -0.85 0.00 0.54 -0.54 0.00 0.00 175.26 174.19 1xn5 n ARG 65 N 5.38 -2.65 -1.47 4.30 1.74 -1.26 -4.04 116.66 118.67 1xn5 n ARG 65 Ca 0.00 2.04 -0.42 0.00 -0.77 0.00 0.00 57.85 58.69 1xn5 n ARG 65 Cb 0.51 -3.23 -0.03 0.00 -1.02 0.00 0.00 32.46 28.69 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xn5 n PRO 66 N -3.97 2.16 0.00 5.56 -0.04 -1.26 -3.61 135.00 133.83 1xn5 n PRO 66 Ca -0.05 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1xn5 n PRO 66 Cb 0.63 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.97 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 5.64 0.00 -3.61 0.52 -6.64 -1.26 -4.13 119.36 109.89 1xn5 n ILE 67 Ca 0.51 0.00 -0.16 0.00 -1.77 0.00 0.00 62.75 61.33 1xn5 n ILE 67 Cb 0.40 -0.32 -0.14 0.00 -1.44 0.00 0.00 39.64 38.15 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 -1.66 0.13 -0.04 6.28 2.20 -1.24 -3.61 119.74 121.80 1xn5 s LYS 68 Ca 0.00 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1xn5 s LYS 68 Cb 0.00 -0.45 0.03 0.00 -1.51 0.00 0.00 37.83 35.90 1xn5 s LYS 68 CO 0.00 -0.41 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.40 1xn5 s LEU 69 N 2.36 1.10 0.02 5.43 2.96 -0.91 -3.19 118.68 126.46 1xn5 s LEU 69 Ca 0.04 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1xn5 s LEU 69 Cb -0.13 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 1xn5 s LEU 69 CO -0.09 -0.10 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.25 1xn5 s SER 70 N 1.17 0.39 -0.23 3.68 0.15 -0.21 0.17 113.70 118.82 1xn5 s SER 70 Ca -0.07 -0.50 -0.18 0.00 0.70 0.00 0.00 55.95 55.90 1xn5 s SER 70 Cb -0.14 0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.32 1xn5 s SER 70 CO -0.02 -0.27 0.60 0.72 1.20 0.00 0.00 173.24 175.48 1xn5 s PHE 71 N -1.39 -0.78 0.25 3.44 -0.71 -1.21 -3.14 117.98 114.45 1xn5 s PHE 71 Ca -0.14 1.73 -0.15 0.00 -1.04 0.00 0.00 56.93 57.33 1xn5 s PHE 71 Cb -0.10 0.35 -0.08 0.00 -1.21 0.00 0.00 43.02 41.99 1xn5 s PHE 71 CO -0.01 -0.39 0.66 0.95 -1.34 0.00 0.00 175.22 175.10 1xn5 s THR 72 N 0.88 4.74 -0.06 -4.49 -4.23 -0.27 -3.97 115.64 108.24 1xn5 s THR 72 Ca -0.04 0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1xn5 s THR 72 Cb -0.05 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1xn5 s THR 72 CO -0.07 -0.01 0.13 0.86 -0.54 0.00 0.00 174.62 174.99 1xn5 s TRP 73 N -1.77 -0.14 0.42 3.99 -0.00 -1.25 -2.64 118.94 117.56 1xn5 s TRP 73 Ca 0.48 0.41 0.00 0.00 -0.00 0.00 0.00 56.10 56.99 1xn5 s TRP 73 Cb -0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.27 1xn5 s TRP 73 CO 0.19 -0.14 0.00 -0.25 -0.00 0.00 0.00 176.95 176.75 1xn5 n ASP 74 N 3.98 -5.60 -2.44 5.86 8.00 -0.92 -4.46 116.55 120.97 1xn5 n ASP 74 Ca -0.24 1.16 -0.32 0.00 0.71 0.00 0.00 54.79 56.10 1xn5 n ASP 74 Cb 0.53 -3.29 0.04 0.00 -0.02 0.00 0.00 41.12 38.38 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 -2.90 3.13 -0.12 -3.53 -2.24 -1.26 -4.51 114.28 102.85 1xn5 n THR 75 Ca -0.03 -3.97 -0.22 0.00 -2.27 0.00 0.00 64.05 57.57 1xn5 n THR 75 Cb 0.40 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.69 1.96 0.00 3.42 -0.08 -1.26 -5.02 116.55 114.87 1xn5 n ASP 76 Ca 0.52 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1xn5 n ASP 76 Cb 0.62 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xn5 n GLY 77 N 1.90 0.15 3.07 0.27 0.00 -1.26 -5.15 105.19 104.16 1xn5 n GLY 77 Ca -0.45 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.14 1.69 -0.02 1.61 0.51 -1.26 -4.59 118.94 116.74 1xn5 s TRP 78 Ca 0.00 -0.64 -0.01 0.00 -2.12 0.00 0.00 56.10 53.32 1xn5 s TRP 78 Cb 0.00 -1.21 0.01 0.00 -0.81 0.00 0.00 33.47 31.47 1xn5 s TRP 78 CO 0.00 -0.30 0.05 -1.12 -0.51 0.00 0.00 176.95 175.06 1xn5 s SER 79 N 0.58 -0.03 -0.03 2.95 0.01 -1.21 -3.87 113.70 112.11 1xn5 s SER 79 Ca -0.15 0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.25 1xn5 s SER 79 Cb -0.16 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1xn5 s SER 79 CO 0.05 -0.05 -0.19 0.54 0.41 0.00 0.00 173.24 174.00 1xn5 s VAL 80 N 0.31 1.53 -0.04 3.43 0.11 -1.25 -2.59 120.40 121.89 1xn5 s VAL 80 Ca -0.02 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 1xn5 s VAL 80 Cb -0.03 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1xn5 s VAL 80 CO -0.01 0.44 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.08 1xn5 s THR 81 N -0.23 2.36 0.12 5.04 2.01 0.76 -3.32 115.64 122.38 1xn5 s THR 81 Ca 0.02 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.08 1xn5 s THR 81 Cb -0.10 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1xn5 s THR 81 CO 0.01 0.58 0.11 -0.36 -0.69 0.00 0.00 174.62 174.27 1xn5 s PHE 82 N -0.48 3.19 -0.09 4.92 0.08 0.46 -0.51 117.98 125.56 1xn5 s PHE 82 Ca 0.06 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 1xn5 s PHE 82 Cb -0.11 -1.58 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 1xn5 s PHE 82 CO 0.01 0.52 0.15 -1.01 -0.10 0.00 0.00 175.22 174.80 1xn5 s HIS 83 N -1.56 -0.16 0.19 0.36 3.76 0.47 -2.14 115.29 116.22 1xn5 s HIS 83 Ca 0.30 0.56 0.09 0.00 -0.15 0.00 0.00 55.06 55.86 1xn5 s HIS 83 Cb -0.11 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 1xn5 s HIS 83 CO 0.23 -0.28 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.27 1xn5 s LEU 84 N 2.28 3.10 -0.30 0.89 1.02 -1.24 -0.65 118.68 123.79 1xn5 s LEU 84 Ca 0.03 -0.54 -0.14 0.00 0.02 0.00 0.00 54.13 53.50 1xn5 s LEU 84 Cb -0.12 -1.75 0.18 0.00 0.02 0.00 0.00 46.19 44.51 1xn5 s LEU 84 CO -0.06 0.08 1.06 -1.59 0.02 0.00 0.00 176.35 175.87 1xn5 s LYS 85 N -2.99 0.19 0.30 1.70 -2.85 -0.77 -4.18 119.74 111.15 1xn5 s LYS 85 Ca 0.27 0.39 -0.29 0.00 -1.00 0.00 0.00 55.97 55.34 1xn5 s LYS 85 Cb -0.09 0.23 -0.10 0.00 -2.06 0.00 0.00 37.83 35.81 1xn5 s LYS 85 CO 0.17 -0.16 1.34 -2.00 0.10 0.00 0.00 175.35 174.79 1xn5 s GLU 86 N 2.74 4.34 0.00 1.78 -6.30 -1.26 -0.79 118.70 119.21 1xn5 s GLU 86 Ca -0.01 2.22 0.00 0.00 -2.50 0.00 0.00 54.97 54.68 1xn5 s GLU 86 Cb -0.08 -3.09 0.00 0.00 0.00 0.00 0.00 34.13 30.96 1xn5 s GLU 86 CO -0.13 -0.24 0.00 -1.91 0.02 0.00 0.00 175.26 173.00 1xn5 n GLU 87 N 1.29 1.81 0.00 4.30 0.00 0.38 -4.87 120.64 123.54 1xn5 n GLU 87 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 1xn5 n GLU 87 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.86 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 -0.39 0.00 -3.03 5.31 1.02 -1.26 -3.68 120.64 118.61 1xn5 n GLU 88 Ca 0.00 0.98 -0.18 0.00 -0.02 0.00 0.00 57.16 57.94 1xn5 n GLU 88 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.91 1.62 0.00 1.62 3.02 -1.26 -5.08 115.26 112.26 1xn5 n ASN 89 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 54.58 51.47 1xn5 n ASN 89 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 0.11 0.60 3.52 7.41 0.00 -1.24 -4.73 105.19 110.86 1xn5 n GLY 90 Ca 0.24 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.77 -0.26 2.61 2.01 -0.81 0.14 115.64 121.11 1xn5 s THR 91 Ca 0.00 -0.42 -0.13 0.00 0.31 0.00 0.00 61.69 61.45 1xn5 s THR 91 Cb 0.00 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1xn5 s THR 91 CO 0.00 0.53 0.29 -0.63 -0.69 0.00 0.00 174.62 174.12 1xn5 s ILE 92 N -0.02 5.25 -0.18 1.82 -1.09 0.03 -2.77 121.20 124.24 1xn5 s ILE 92 Ca 0.00 0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1xn5 s ILE 92 Cb -0.13 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1xn5 s ILE 92 CO 0.03 0.23 -0.14 0.12 -1.23 0.00 0.00 174.94 173.94 1xn5 s PHE 93 N 1.68 2.82 -0.05 3.97 2.19 -0.50 -1.85 117.98 126.25 1xn5 s PHE 93 Ca 0.12 -1.24 0.04 0.00 0.33 0.00 0.00 56.93 56.19 1xn5 s PHE 93 Cb -0.15 -1.95 -0.00 0.00 -1.31 0.00 0.00 43.02 39.60 1xn5 s PHE 93 CO 0.09 -0.61 -0.18 0.99 1.83 0.00 0.00 175.22 177.33 1xn5 s THR 94 N 1.15 1.53 0.07 0.12 2.01 0.18 -0.45 115.64 120.25 1xn5 s THR 94 Ca 0.01 -0.76 0.08 0.00 0.31 0.00 0.00 61.69 61.33 1xn5 s THR 94 Cb -0.14 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1xn5 s THR 94 CO -0.05 0.44 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.61 1xn5 s ILE 95 N 0.07 2.71 -0.23 1.82 -1.16 0.16 -0.39 121.20 124.18 1xn5 s ILE 95 Ca -0.05 -1.35 -0.03 0.00 -0.51 0.00 0.00 60.65 58.70 1xn5 s ILE 95 Cb -0.12 -2.17 0.08 0.00 0.61 0.00 0.00 42.46 40.85 1xn5 s ILE 95 CO 0.03 0.24 0.08 -0.69 -2.81 0.00 0.00 174.94 171.79 1xn5 s VAL 96 N -1.00 0.31 -0.18 4.00 1.01 0.33 -1.32 120.40 123.55 1xn5 s VAL 96 Ca 0.15 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1xn5 s VAL 96 Cb -0.10 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1xn5 s VAL 96 CO 0.07 -0.42 -0.12 -2.28 0.00 0.00 0.00 175.10 172.35 1xn5 s HIS 97 N 1.93 2.86 0.29 5.22 5.04 0.27 -0.17 115.29 130.72 1xn5 s HIS 97 Ca 0.04 -1.07 0.02 0.00 -1.54 0.00 0.00 55.06 52.51 1xn5 s HIS 97 Cb -0.17 -1.97 -0.05 0.00 0.04 0.00 0.00 32.58 30.43 1xn5 s HIS 97 CO -0.18 -0.54 0.11 -1.12 -2.34 0.00 0.00 174.74 170.68 1xn5 s SER 98 N 1.11 1.53 0.00 9.88 0.01 -1.07 0.15 113.70 125.31 1xn5 s SER 98 Ca 0.01 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.82 1xn5 s SER 98 Cb -0.14 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1xn5 s SER 98 CO -0.03 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1xn5 n GLY 99 N -0.55 0.99 3.73 3.44 0.00 -1.26 -3.28 105.19 108.26 1xn5 n GLY 99 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.46 1.83 0.00 1.61 0.52 -1.26 -4.83 118.94 115.36 1xn5 s TRP 100 Ca 0.00 -1.02 0.00 0.00 0.02 0.00 0.00 56.10 55.10 1xn5 s TRP 100 Cb 0.00 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.78 1xn5 s TRP 100 CO 0.00 0.14 0.00 1.63 0.02 0.00 0.00 176.95 178.74 1xn5 n LYS 101 N -1.23 1.99 -1.67 4.98 5.02 -1.26 -5.00 118.16 120.99 1xn5 n LYS 101 Ca -0.18 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.67 1xn5 n LYS 101 Cb 0.67 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.66 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 0.00 1.97 -2.08 1.97 7.27 -1.26 -3.14 117.38 122.11 1xn5 n GLN 102 Ca 0.00 0.70 -0.28 0.00 0.07 0.00 0.00 57.00 57.48 1xn5 n GLN 102 Cb 0.00 -2.28 -0.06 0.00 2.41 0.00 0.00 30.24 30.31 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1xn5 s GLY 103 N -0.11 0.19 0.00 1.69 0.00 -1.26 -2.59 107.32 105.24 1xn5 s GLY 103 Ca 0.61 -2.17 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1xn5 s GLY 103 CO 0.57 3.54 0.00 1.34 0.00 0.00 0.00 173.10 178.55 1xn5 n ASP 104 N 14.30 0.00 -4.25 1.64 2.03 -1.26 -4.90 116.55 124.10 1xn5 n ASP 104 Ca 0.45 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.43 1xn5 n ASP 104 Cb 0.47 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.01 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xn5 n THR 105 N 0.00 0.00 -4.40 5.18 -2.24 -1.07 -4.59 114.28 107.17 1xn5 n THR 105 Ca 0.00 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.25 1xn5 n THR 105 Cb 0.00 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 67.59 1xn5 n THR 105 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xn5 s LYS 106 N -3.26 1.43 -0.59 -0.78 2.20 -1.26 -1.18 119.74 116.30 1xn5 s LYS 106 Ca 0.53 -1.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.60 1xn5 s LYS 106 Cb -0.10 -1.82 0.15 0.00 -1.51 0.00 0.00 37.83 34.54 1xn5 s LYS 106 CO 0.67 0.41 0.52 0.08 -0.36 0.00 0.00 175.35 176.67 1xn5 s VAL 107 N -1.36 4.96 0.60 4.02 1.01 -1.24 -4.85 120.40 123.54 1xn5 s VAL 107 Ca 0.16 -1.88 0.29 0.00 0.00 0.00 0.00 61.98 60.55 1xn5 s VAL 107 Cb -0.09 -4.17 0.39 0.00 0.00 0.00 0.00 36.38 32.50 1xn5 s VAL 107 CO 0.07 -0.88 1.73 1.05 0.00 0.00 0.00 175.10 177.07 1xn5 h GLU 108 N 8.42 0.00 -1.55 2.72 4.11 -1.96 0.52 114.58 126.83 1xn5 h GLU 108 Ca -0.17 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.56 1xn5 h GLU 108 Cb 1.07 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.05 1xn5 h GLU 108 CO 0.91 0.00 0.93 1.17 0.07 0.00 0.00 179.01 182.09 1xn5 n LYS 109 N -3.55 2.67 0.01 1.06 4.81 -1.26 -4.49 118.16 117.41 1xn5 n LYS 109 Ca 0.12 -3.28 0.00 0.00 -0.87 0.00 0.00 58.31 54.28 1xn5 n LYS 109 Cb 0.91 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.72 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 n ALA 110 N -0.59 0.00 0.00 3.14 0.00 0.18 -5.05 120.51 118.18 1xn5 n ALA 110 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1xn5 n ALA 110 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.50 0.66 3.85 0.00 0.00 -0.76 -5.08 105.19 102.37 1xn5 n GLY 111 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.79 3.70 0.72 4.61 0.00 -1.26 -4.93 121.76 123.81 1xn5 s ALA 112 Ca 0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1xn5 s ALA 112 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.62 1xn5 s ALA 112 CO 0.00 0.52 1.01 0.39 0.00 0.00 0.00 175.76 177.68 1xn5 n GLU 113 N -0.41 0.55 0.29 0.00 1.02 -1.26 -3.59 120.64 117.25 1xn5 n GLU 113 Ca -0.08 0.25 0.14 0.00 -0.02 0.00 0.00 57.16 57.45 1xn5 n GLU 113 Cb 0.54 -2.26 0.88 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.20 0.00 -0.16 1.62 0.02 -1.40 -0.22 113.55 113.21 1xn5 h SER 114 Ca -0.48 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.27 1xn5 h SER 114 Cb 1.33 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.88 1xn5 h SER 114 CO 0.47 0.00 -0.71 0.00 -1.14 0.00 0.00 176.83 175.46 1xn5 h ALA 115 N 2.00 0.30 -0.42 3.77 0.00 -1.89 0.24 119.26 123.26 1xn5 h ALA 115 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1xn5 h ALA 115 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xn5 h ALA 115 CO 0.00 0.62 0.03 0.28 0.00 0.00 0.00 179.25 180.19 1xn5 h VAL 116 N 0.47 1.25 -0.25 0.00 2.07 -1.44 -1.68 116.25 116.67 1xn5 h VAL 116 Ca -0.04 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1xn5 h VAL 116 Cb 1.34 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1xn5 h VAL 116 CO 0.15 0.33 -0.40 0.58 0.02 0.00 0.00 177.57 178.24 1xn5 h VAL 117 N 0.55 1.30 0.07 2.57 2.07 -1.13 -0.64 116.25 121.04 1xn5 h VAL 117 Ca 0.12 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1xn5 h VAL 117 Cb 0.43 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1xn5 h VAL 117 CO 0.01 0.50 -0.19 -0.74 0.02 0.00 0.00 177.57 177.17 1xn5 h HIS 118 N 0.49 -0.51 -0.46 1.57 6.17 -0.19 0.50 115.15 122.71 1xn5 h HIS 118 Ca 0.04 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.08 1xn5 h HIS 118 Cb 0.91 0.22 -0.02 0.00 2.52 0.00 0.00 27.41 31.04 1xn5 h HIS 118 CO 0.04 -0.28 0.09 0.93 0.71 0.00 0.00 177.93 179.42 1xn5 h GLU 119 N -0.35 0.75 0.34 5.26 5.08 -1.24 0.25 114.58 124.67 1xn5 h GLU 119 Ca 0.04 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1xn5 h GLU 119 Cb 0.39 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xn5 h GLU 119 CO -0.13 0.76 -0.27 0.00 -1.00 0.00 0.00 179.01 178.36 1xn5 h ARG 120 N 0.62 -0.57 -0.65 2.33 3.08 -0.65 0.19 114.38 118.75 1xn5 h ARG 120 Ca 0.14 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1xn5 h ARG 120 Cb 0.35 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1xn5 h ARG 120 CO 0.01 -0.38 0.35 0.52 -1.07 0.00 0.00 179.97 179.40 1xn5 h MET 121 N -0.59 0.63 -0.11 0.04 2.86 -0.05 0.15 114.93 117.87 1xn5 h MET 121 Ca -0.04 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1xn5 h MET 121 Cb 0.49 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1xn5 h MET 121 CO 0.01 0.41 -0.31 0.22 1.06 0.00 0.00 176.91 178.30 1xn5 h ASP 122 N 0.65 -0.97 0.31 1.22 1.82 -0.33 1.46 116.42 120.58 1xn5 h ASP 122 Ca 0.29 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 57.06 1xn5 h ASP 122 Cb 0.19 0.41 -0.00 0.00 0.68 0.00 0.00 39.33 40.61 1xn5 h ASP 122 CO -0.19 -0.36 -0.17 0.03 -1.61 0.00 0.00 179.24 176.95 1xn5 h ARG 123 N -0.40 -0.43 -0.86 0.28 2.47 -0.08 0.72 114.38 116.09 1xn5 h ARG 123 Ca 0.09 0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.94 1xn5 h ARG 123 Cb 0.54 0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 28.88 1xn5 h ARG 123 CO -0.33 -0.28 0.50 0.78 0.56 0.00 0.00 179.97 181.19 1xn5 h GLY 124 N -0.44 1.35 0.97 0.04 0.00 -0.21 1.46 103.07 106.24 1xn5 h GLY 124 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1xn5 h GLY 124 CO 0.05 0.13 -0.33 1.49 0.00 0.00 0.00 176.54 177.88 1xn5 h TRP 125 N 0.82 -0.85 0.21 5.60 4.06 0.24 0.93 115.95 126.95 1xn5 h TRP 125 Ca 0.42 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1xn5 h TRP 125 Cb 0.40 0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 1xn5 h TRP 125 CO -0.05 -0.52 -0.21 1.25 -3.56 0.00 0.00 178.44 175.35 1xn5 h HIS 126 N -0.96 -0.54 -0.82 0.49 2.76 -0.17 0.68 115.15 116.58 1xn5 h HIS 126 Ca -0.09 0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.22 1xn5 h HIS 126 Cb 0.72 0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 1xn5 h HIS 126 CO -0.02 -0.31 0.54 0.22 -1.30 0.00 0.00 177.93 177.06 1xn5 h ASP 127 N -0.45 0.55 -0.19 3.26 1.82 0.21 0.92 116.42 122.54 1xn5 h ASP 127 Ca -0.00 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 1xn5 h ASP 127 Cb 0.42 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 1xn5 h ASP 127 CO -0.05 0.29 -0.23 0.25 -1.61 0.00 0.00 179.24 177.89 1xn5 h LEU 128 N 0.59 0.54 -3.82 2.28 5.85 0.21 -2.90 115.31 118.06 1xn5 h LEU 128 Ca 0.40 -0.50 -0.52 0.00 0.84 0.00 0.00 57.88 58.11 1xn5 h LEU 128 Cb 0.73 -0.15 -0.27 0.00 0.37 0.00 0.00 40.66 41.34 1xn5 h LEU 128 CO -0.16 0.93 0.67 0.55 -0.34 0.00 0.00 178.44 180.08 1xn5 n VAL 129 N -4.42 3.16 0.02 1.05 3.14 0.22 -0.95 118.33 120.56 1xn5 n VAL 129 Ca -0.05 -2.09 0.00 0.00 -2.96 0.00 0.00 64.34 59.23 1xn5 n VAL 129 Cb 0.43 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 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 -0.83 0.34 0.04 6.55 5.03 0.30 -4.65 115.26 122.04 1xn5 n ASN 130 Ca 0.54 0.05 -0.00 0.00 0.87 0.00 0.00 54.58 56.04 1xn5 n ASN 130 Cb 1.17 -0.10 -0.00 0.00 -1.02 0.00 0.00 39.78 39.83 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 -3.15 0.01 -0.38 3.52 -0.58 -1.11 -4.29 120.64 114.67 1xn5 n GLU 131 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.66 1xn5 n GLU 131 Cb 0.33 -0.52 -0.07 0.00 -0.57 0.00 0.00 31.44 30.61 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xn5 n ARG 132 N -3.49 -0.37 -0.03 3.49 5.12 -1.23 0.19 116.66 120.33 1xn5 n ARG 132 Ca -0.00 1.37 -0.03 0.00 -1.93 0.00 0.00 57.85 57.26 1xn5 n ARG 132 Cb 0.04 -2.02 0.21 0.00 -1.16 0.00 0.00 32.46 29.53 1xn5 n ARG 132 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1xn5 h LEU 133 N 0.00 0.59 -1.59 0.55 5.85 -1.34 -2.04 115.31 117.34 1xn5 h LEU 133 Ca 0.17 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xn5 h LEU 133 Cb 0.40 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1xn5 h LEU 133 CO -0.86 0.73 0.08 -0.09 -0.34 0.00 0.00 178.44 177.96 1xn5 h ARG 134 N 0.55 0.35 -0.01 1.25 2.43 0.17 -1.17 114.38 117.95 1xn5 h ARG 134 Ca 0.10 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 1xn5 h ARG 134 Cb 0.52 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1xn5 h ARG 134 CO 0.03 0.31 -0.67 1.96 -1.51 0.00 0.00 179.97 180.09 1xn5 h GLN 135 N 0.35 0.06 0.00 0.20 1.08 0.27 0.36 115.11 117.45 1xn5 h GLN 135 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1xn5 h GLN 135 Cb 0.11 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1xn5 h GLN 135 CO -0.01 0.71 0.08 0.82 -0.95 0.00 0.00 178.83 179.49 1xn5 h ILE 136 N 0.04 0.00 0.00 2.54 1.08 -0.83 -2.05 117.51 118.30 1xn5 h ILE 136 Ca -0.01 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.32 1xn5 h ILE 136 Cb 1.19 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1xn5 h ILE 136 CO 0.09 0.00 -1.52 1.33 -0.69 0.00 0.00 178.15 177.37 1xn5 n VAL 137 N -2.93 0.52 1.40 1.67 0.24 -1.03 -5.03 118.33 113.17 1xn5 n VAL 137 Ca -0.03 -0.27 0.14 0.00 -2.04 0.00 0.00 64.34 62.14 1xn5 n VAL 137 Cb 0.14 -0.82 0.44 0.00 -1.47 0.00 0.00 33.84 32.14 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07