#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 -0.04 0.58 1.12 -1.32 -1.26 -5.06 115.64 109.65 1xn5 s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1xn5 s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1xn5 s THR 2 CO 0.00 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.95 1xn5 n ARG 3 N 3.60 -3.31 -4.99 7.08 1.74 -1.26 -4.91 116.66 114.60 1xn5 n ARG 3 Ca -0.15 2.63 -0.27 0.00 -0.77 0.00 0.00 57.85 59.29 1xn5 n ARG 3 Cb 0.56 -3.91 -0.16 0.00 -1.02 0.00 0.00 32.46 27.93 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 -7.30 2.02 0.00 0.55 1.43 -1.25 -4.55 118.68 109.57 1xn5 s LEU 4 Ca 0.00 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1xn5 s LEU 4 Cb 0.00 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.16 1xn5 s LEU 4 CO 0.00 0.23 0.00 -0.81 0.23 0.00 0.00 176.35 176.00 1xn5 n PRO 5 N 2.73 0.49 -3.91 1.29 -0.04 -1.26 -4.96 135.00 129.34 1xn5 n PRO 5 Ca -0.16 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 1xn5 n PRO 5 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1xn5 n PRO 5 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn5 s ASP 6 N -1.25 6.16 -1.19 3.54 -1.08 -1.26 -4.97 116.67 116.63 1xn5 s ASP 6 Ca 0.00 0.35 -0.10 0.00 -0.52 0.00 0.00 52.55 52.28 1xn5 s ASP 6 Cb 0.00 -2.00 -0.07 0.00 -1.46 0.00 0.00 42.92 39.39 1xn5 s ASP 6 CO 0.00 0.34 2.37 -0.38 0.52 0.00 0.00 175.17 178.02 1xn5 n ILE 7 N 2.45 3.08 -3.11 4.11 5.41 -0.90 -4.87 119.36 125.53 1xn5 n ILE 7 Ca -0.19 -2.02 -0.40 0.00 1.00 0.00 0.00 62.75 61.14 1xn5 n ILE 7 Cb 0.54 -2.37 -0.06 0.00 -0.71 0.00 0.00 39.64 37.04 1xn5 n ILE 7 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xn5 s LYS 8 N 3.21 4.23 0.07 0.38 2.20 -1.26 -3.52 119.74 125.05 1xn5 s LYS 8 Ca 0.53 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1xn5 s LYS 8 Cb 0.14 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1xn5 s LYS 8 CO -0.03 -0.23 -0.07 0.15 -0.36 0.00 0.00 175.35 174.82 1xn5 s LYS 9 N 1.86 0.70 0.00 4.03 -0.14 -0.32 -5.00 119.74 120.87 1xn5 s LYS 9 Ca 0.29 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 1xn5 s LYS 9 Cb -0.16 -0.21 -0.00 0.00 -1.68 0.00 0.00 37.83 35.78 1xn5 s LYS 9 CO 0.11 0.00 -0.01 -2.00 -0.76 0.00 0.00 175.35 172.69 1xn5 s GLU 10 N -2.96 0.10 0.08 1.68 -6.30 -1.26 -0.55 118.70 109.49 1xn5 s GLU 10 Ca 0.03 -0.10 -0.00 0.00 -2.50 0.00 0.00 54.97 52.40 1xn5 s GLU 10 Cb -0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 34.13 34.03 1xn5 s GLU 10 CO -0.03 0.01 -0.03 0.14 0.02 0.00 0.00 175.26 175.38 1xn5 s VAL 11 N -0.19 0.37 -0.12 3.70 -7.23 -0.04 -5.02 120.40 111.87 1xn5 s VAL 11 Ca -0.01 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1xn5 s VAL 11 Cb -0.01 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.27 1xn5 s VAL 11 CO -0.00 -0.86 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.21 1xn5 s ARG 12 N -3.91 1.97 0.12 4.82 3.52 -1.26 -1.75 118.95 122.45 1xn5 s ARG 12 Ca 0.12 -0.44 0.10 0.00 -0.13 0.00 0.00 55.73 55.38 1xn5 s ARG 12 Cb 0.07 -1.83 -0.04 0.00 -1.56 0.00 0.00 34.95 31.59 1xn5 s ARG 12 CO -0.06 -0.19 -0.23 -0.06 -0.81 0.00 0.00 175.30 173.95 1xn5 s PHE 13 N 1.40 2.42 -0.59 5.12 0.08 -1.16 -5.03 117.98 120.22 1xn5 s PHE 13 Ca 0.01 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 1xn5 s PHE 13 Cb -0.13 -1.31 0.09 0.00 -0.57 0.00 0.00 43.02 41.10 1xn5 s PHE 13 CO -0.07 0.35 0.75 -0.80 -0.10 0.00 0.00 175.22 175.35 1xn5 s ASN 14 N -2.04 6.19 0.00 1.36 -0.87 -1.26 -2.46 114.94 115.85 1xn5 s ASN 14 Ca 0.16 -1.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.19 1xn5 s ASN 14 Cb -0.10 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.80 1xn5 s ASN 14 CO 0.08 -1.15 0.00 0.00 -2.57 0.00 0.00 177.10 173.45 1xn5 n ALA 15 N 6.60 0.00 -2.43 0.60 0.00 -1.26 -4.84 120.51 119.18 1xn5 n ALA 15 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1xn5 n ALA 15 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 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 4.32 0.54 0.00 0.04 -1.26 -3.74 135.00 132.91 1xn5 s PRO 16 Ca 0.00 1.70 0.37 0.00 0.04 0.00 0.00 61.00 63.10 1xn5 s PRO 16 Cb 0.00 -3.60 1.55 0.00 0.04 0.00 0.00 34.50 32.49 1xn5 s PRO 16 CO 0.00 -0.51 1.81 0.97 0.04 0.00 0.00 177.00 179.31 1xn5 h ILE 17 N 5.10 0.41 -0.29 0.56 2.10 -1.97 1.32 117.51 124.75 1xn5 h ILE 17 Ca -0.33 -0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.69 1xn5 h ILE 17 Cb 1.15 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 1xn5 h ILE 17 CO 0.90 0.00 0.20 -0.08 -1.08 0.00 0.00 178.15 178.09 1xn5 h GLU 18 N 0.00 0.04 0.00 2.19 4.81 -1.98 1.36 114.58 120.99 1xn5 h GLU 18 Ca 0.56 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.70 1xn5 h GLU 18 Cb 2.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.60 1xn5 h GLU 18 CO -0.01 0.02 -0.66 -0.22 -0.73 0.00 0.00 179.01 177.42 1xn5 h LYS 19 N 0.04 0.00 -0.84 1.92 3.64 0.13 -3.07 116.57 118.40 1xn5 h LYS 19 Ca 0.13 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1xn5 h LYS 19 Cb 0.49 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 1xn5 h LYS 19 CO -0.01 0.52 0.46 0.28 -2.27 0.00 0.00 179.45 178.43 1xn5 h VAL 20 N -1.00 0.84 0.40 2.00 2.07 -1.13 0.56 116.25 119.99 1xn5 h VAL 20 Ca -0.13 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1xn5 h VAL 20 Cb 0.81 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1xn5 h VAL 20 CO -0.08 0.13 -0.27 -0.25 0.02 0.00 0.00 177.57 177.12 1xn5 h TRP 21 N 0.73 -0.71 -0.04 1.57 -0.00 0.17 -0.43 115.95 117.24 1xn5 h TRP 21 Ca 0.43 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.32 1xn5 h TRP 21 Cb 0.48 0.26 -0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1xn5 h TRP 21 CO -0.07 -0.41 0.04 0.93 -0.00 0.00 0.00 178.44 178.93 1xn5 h GLU 22 N -0.65 0.00 0.00 2.65 5.08 -1.11 0.63 114.58 121.18 1xn5 h GLU 22 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xn5 h GLU 22 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xn5 h GLU 22 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1xn5 n ALA 23 N -2.34 2.05 -0.75 3.43 0.00 0.19 -2.51 120.51 120.59 1xn5 n ALA 23 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1xn5 n ALA 23 Cb 0.13 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.02 1.25 -0.41 0.00 0.24 0.19 -2.70 118.33 114.89 1xn5 n VAL 24 Ca 0.05 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1xn5 n VAL 24 Cb 0.33 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.86 1.13 -4.30 -1.34 3.41 0.49 -4.90 113.62 107.26 1xn5 n SER 25 Ca 0.07 -1.54 -0.16 0.00 -0.26 0.00 0.00 58.87 56.98 1xn5 n SER 25 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.54 0.94 -0.13 6.66 -4.23 -1.04 -3.08 115.64 114.22 1xn5 s THR 26 Ca 0.00 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.21 1xn5 s THR 26 Cb 0.00 -2.27 -0.25 0.00 1.34 0.00 0.00 72.50 71.32 1xn5 s THR 26 CO 0.00 -0.38 0.78 0.28 -0.54 0.00 0.00 174.62 174.77 1xn5 h SER 27 N 2.54 -0.00 0.13 3.99 0.02 -1.83 -2.04 113.55 116.36 1xn5 h SER 27 Ca -0.38 -0.94 -0.04 0.00 -0.84 0.00 0.00 61.79 59.59 1xn5 h SER 27 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1xn5 h SER 27 CO 0.64 0.95 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.78 1xn5 h GLU 28 N -0.97 0.09 -0.11 3.45 5.08 -1.89 0.47 114.58 120.70 1xn5 h GLU 28 Ca -0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1xn5 h GLU 28 Cb 0.94 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1xn5 h GLU 28 CO 0.00 0.26 -0.67 0.78 -1.00 0.00 0.00 179.01 178.38 1xn5 h GLY 29 N 0.65 0.71 0.37 -3.84 0.00 -1.80 -2.19 103.07 96.97 1xn5 h GLY 29 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 1xn5 h GLY 29 CO 0.02 0.92 -0.12 1.41 0.00 0.00 0.00 176.54 178.78 1xn5 h LEU 30 N 0.30 -0.27 -1.97 3.11 3.38 -0.96 -3.00 115.31 115.91 1xn5 h LEU 30 Ca -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xn5 h LEU 30 Cb 1.31 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1xn5 h LEU 30 CO 0.14 0.23 0.29 0.00 0.09 0.00 0.00 178.44 179.19 1xn5 h ALA 31 N -0.59 1.28 0.00 1.53 0.00 0.11 1.80 119.26 123.39 1xn5 h ALA 31 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 31 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xn5 h ALA 31 CO 0.05 -0.28 -0.04 0.35 0.00 0.00 0.00 179.25 179.34 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.23 -3.34 116.94 115.41 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 0.58 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.09 1xn5 h PHE 32 CO 0.00 0.04 -0.27 -2.67 -2.02 0.00 0.00 178.31 173.39 1xn5 n TRP 33 N -3.55 0.00 0.00 0.41 4.27 0.15 -4.96 117.44 113.76 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 0.36 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 -2.61 0.00 -3.61 -2.67 7.35 0.56 -5.01 117.46 111.47 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 0.13 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.95 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 -0.06 0.43 0.22 -4.13 -1.94 -1.22 -4.87 119.30 107.73 1xn5 s MET 35 Ca 0.00 -0.20 -0.32 0.00 -1.71 0.00 0.00 55.69 53.46 1xn5 s MET 35 Cb 0.00 0.17 -0.14 0.00 2.01 0.00 0.00 34.83 36.87 1xn5 s MET 35 CO 0.00 -0.19 1.41 0.39 -0.01 0.00 0.00 175.02 176.62 1xn5 n GLU 36 N -0.30 1.95 -3.50 2.03 1.02 -1.26 -2.80 120.64 117.78 1xn5 n GLU 36 Ca -0.04 0.70 -0.08 0.00 -0.02 0.00 0.00 57.16 57.71 1xn5 n GLU 36 Cb 0.61 -2.36 0.02 0.00 -0.02 0.00 0.00 31.44 29.69 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xn5 n ASN 37 N 2.33 -1.98 -0.97 1.62 0.23 -1.26 -2.87 115.26 112.35 1xn5 n ASN 37 Ca 0.13 -2.45 0.05 0.00 -0.53 0.00 0.00 54.58 51.78 1xn5 n ASN 37 Cb 0.30 3.32 0.12 0.00 -2.08 0.00 0.00 39.78 41.44 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 -1.49 1.38 -4.78 0.53 -0.08 -1.22 -4.79 116.55 106.09 1xn5 n ASP 38 Ca -0.07 -3.00 -0.34 0.00 -1.51 0.00 0.00 54.79 49.87 1xn5 n ASP 38 Cb 0.53 -0.42 0.01 0.00 2.34 0.00 0.00 41.12 43.58 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 -1.73 3.64 -0.18 -2.67 0.20 -1.26 -4.72 118.68 111.96 1xn5 s LEU 39 Ca 0.35 2.02 0.18 0.00 0.69 0.00 0.00 54.13 57.36 1xn5 s LEU 39 Cb 0.37 -4.56 0.39 0.00 -0.43 0.00 0.00 46.19 41.95 1xn5 s LEU 39 CO -0.11 -1.20 1.22 1.17 -0.29 0.00 0.00 176.35 177.14 1xn5 n LYS 40 N -1.61 0.99 -3.69 1.98 4.81 -1.26 -2.89 118.16 116.49 1xn5 n LYS 40 Ca 0.10 -2.20 -0.25 0.00 -0.87 0.00 0.00 58.31 55.09 1xn5 n LYS 40 Cb 0.52 -0.41 0.01 0.00 0.02 0.00 0.00 35.03 35.17 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 -0.51 -2.68 -3.68 3.14 0.00 -1.18 -4.95 120.51 110.65 1xn5 n ALA 41 Ca -0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 1xn5 n ALA 41 Cb 0.88 -1.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 -5.17 0.29 0.59 0.00 2.12 -1.26 -4.94 118.70 110.34 1xn5 s GLU 42 Ca 0.16 0.80 -0.17 0.00 0.36 0.00 0.00 54.97 56.12 1xn5 s GLU 42 Cb -0.07 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 1xn5 s GLU 42 CO 0.88 -0.21 1.12 -0.08 -0.54 0.00 0.00 175.26 176.42 1xn5 s THR 43 N 1.93 3.25 -1.12 -1.70 -1.32 -1.26 -2.81 115.64 112.60 1xn5 s THR 43 Ca -0.05 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.11 1xn5 s THR 43 Cb -0.11 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.67 1xn5 s THR 43 CO -0.11 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 1xn5 n GLY 44 N -0.21 1.09 3.87 6.08 0.00 -0.90 -4.96 105.19 110.17 1xn5 n GLY 44 Ca 0.11 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.08 3.60 -0.28 1.61 2.46 -1.12 -4.92 115.29 114.55 1xn5 s HIS 45 Ca 0.00 1.22 0.01 0.00 0.47 0.00 0.00 55.06 56.76 1xn5 s HIS 45 Cb 0.00 -2.65 0.08 0.00 -0.13 0.00 0.00 32.58 29.88 1xn5 s HIS 45 CO 0.00 -0.58 0.01 -3.38 -2.47 0.00 0.00 174.74 168.32 1xn5 s HIS 46 N -3.04 2.53 -0.02 3.88 -3.43 -1.26 -3.39 115.29 110.55 1xn5 s HIS 46 Ca 0.54 -2.04 0.03 0.00 -0.80 0.00 0.00 55.06 52.79 1xn5 s HIS 46 Cb -0.11 -1.93 -0.00 0.00 -1.43 0.00 0.00 32.58 29.11 1xn5 s HIS 46 CO 0.50 -0.84 -0.10 -0.59 -2.00 0.00 0.00 174.74 171.71 1xn5 s PHE 47 N 1.34 1.04 0.71 0.38 -0.71 -0.93 -5.01 117.98 114.80 1xn5 s PHE 47 Ca 0.02 -0.25 -0.05 0.00 -1.04 0.00 0.00 56.93 55.61 1xn5 s PHE 47 Cb -0.18 -0.72 0.08 0.00 -1.21 0.00 0.00 43.02 40.99 1xn5 s PHE 47 CO -0.11 -0.08 1.00 -1.01 -1.34 0.00 0.00 175.22 173.67 1xn5 s HIS 48 N 0.06 2.48 -0.03 3.49 3.76 -1.26 -1.19 115.29 122.61 1xn5 s HIS 48 Ca -0.01 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1xn5 s HIS 48 Cb -0.08 -3.17 0.02 0.00 1.11 0.00 0.00 32.58 30.46 1xn5 s HIS 48 CO 0.00 -1.51 -0.01 -1.17 -0.85 0.00 0.00 174.74 171.20 1xn5 s LEU 49 N -5.20 1.36 -1.10 0.89 2.96 -0.50 -3.39 118.68 113.70 1xn5 s LEU 49 Ca 0.62 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 1xn5 s LEU 49 Cb -0.09 -0.25 0.29 0.00 0.50 0.00 0.00 46.19 46.64 1xn5 s LEU 49 CO 0.44 -0.06 1.29 0.00 -1.32 0.00 0.00 176.35 176.70 1xn5 n GLN 50 N 3.89 4.00 -2.02 1.98 1.13 -1.14 -2.10 117.38 123.11 1xn5 n GLN 50 Ca -0.24 -4.51 -0.30 0.00 -1.94 0.00 0.00 57.00 50.02 1xn5 n GLN 50 Cb 0.52 -2.53 0.03 0.00 0.11 0.00 0.00 30.24 28.37 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 -0.18 5.77 0.06 1.08 1.04 -1.24 -4.57 113.70 115.65 1xn5 s SER 51 Ca 0.31 1.13 0.23 0.00 0.48 0.00 0.00 55.95 58.10 1xn5 s SER 51 Cb -0.03 -2.08 0.92 0.00 0.10 0.00 0.00 66.02 64.94 1xn5 s SER 51 CO 0.01 -1.10 1.71 -0.81 0.98 0.00 0.00 173.24 174.04 1xn5 n PRO 52 N -2.80 0.06 -0.89 4.02 -0.04 -1.26 -2.63 135.00 131.46 1xn5 n PRO 52 Ca 0.06 0.17 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1xn5 n PRO 52 Cb 0.56 -1.58 0.23 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.69 1.83 0.00 0.54 7.35 -1.26 -5.04 117.46 119.19 1xn5 n PHE 53 Ca 0.05 -1.44 0.00 0.00 -0.76 0.00 0.00 57.45 55.30 1xn5 n PHE 53 Cb 0.27 -0.61 0.00 0.00 0.35 0.00 0.00 39.48 39.49 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn5 n GLY 54 N -0.80 2.24 3.77 7.13 0.00 -1.08 -5.01 105.19 111.43 1xn5 n GLY 54 Ca 0.39 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.53 4.45 0.01 1.61 0.04 -1.26 -3.62 135.00 132.70 1xn5 s PRO 55 Ca 0.00 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1xn5 s PRO 55 Cb 0.00 -2.92 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 1xn5 s PRO 55 CO 0.00 0.08 -0.02 -1.12 0.04 0.00 0.00 177.00 175.98 1xn5 s SER 56 N -1.19 0.15 0.35 6.66 0.01 -0.89 -4.98 113.70 113.80 1xn5 s SER 56 Ca 0.50 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 1xn5 s SER 56 Cb -0.27 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1xn5 s SER 56 CO 0.35 -0.17 1.06 -2.16 0.41 0.00 0.00 173.24 172.73 1xn5 s PRO 57 N -0.85 4.37 0.05 12.44 0.04 -1.26 -1.41 135.00 148.38 1xn5 s PRO 57 Ca -0.09 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1xn5 s PRO 57 Cb -0.06 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 1xn5 s PRO 57 CO -0.01 0.02 -0.10 0.00 0.04 0.00 0.00 177.00 176.95 1xn5 s GLN 59 N -1.66 0.42 0.05 0.00 0.74 -1.15 -2.19 119.66 115.87 1xn5 s GLN 59 Ca -0.07 0.09 -0.20 0.00 0.05 0.00 0.00 55.36 55.23 1xn5 s GLN 59 Cb -0.10 0.19 -0.06 0.00 1.10 0.00 0.00 33.01 34.14 1xn5 s GLN 59 CO 0.01 -0.09 0.57 0.08 -0.55 0.00 0.00 175.29 175.31 1xn5 s VAL 60 N -0.50 4.80 -0.08 1.34 1.01 -1.22 -0.53 120.40 125.22 1xn5 s VAL 60 Ca -0.06 1.21 0.11 0.00 0.00 0.00 0.00 61.98 63.24 1xn5 s VAL 60 Cb -0.04 -3.90 -0.15 0.00 0.00 0.00 0.00 36.38 32.29 1xn5 s VAL 60 CO 0.01 0.51 0.11 0.35 0.00 0.00 0.00 175.10 176.08 1xn5 n THR 61 N 2.05 0.54 -3.64 3.92 -2.24 -1.18 -2.11 114.28 111.62 1xn5 n THR 61 Ca -0.09 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.20 1xn5 n THR 61 Cb 0.51 -0.43 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 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 -4.09 -0.86 -0.30 3.42 1.11 -1.24 -4.82 116.67 109.89 1xn5 s ASP 62 Ca -0.05 1.40 -0.01 0.00 0.18 0.00 0.00 52.55 54.06 1xn5 s ASP 62 Cb 0.05 1.36 0.19 0.00 1.07 0.00 0.00 42.92 45.59 1xn5 s ASP 62 CO 0.47 -0.22 0.68 0.54 1.18 0.00 0.00 175.17 177.82 1xn5 s VAL 63 N 1.45 -0.88 -0.28 -1.27 0.11 -1.26 -0.65 120.40 117.63 1xn5 s VAL 63 Ca -0.09 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1xn5 s VAL 63 Cb -0.05 -0.96 0.17 0.00 -1.53 0.00 0.00 36.38 34.01 1xn5 s VAL 63 CO -0.17 0.00 0.48 -0.70 -3.33 0.00 0.00 175.10 171.38 1xn5 s GLU 64 N 2.87 0.46 0.47 1.54 2.56 -1.13 -4.56 118.70 120.91 1xn5 s GLU 64 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.64 1xn5 s GLU 64 Cb -0.12 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 35.95 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 -2.89 -1.43 4.30 1.74 -1.26 -4.04 116.66 118.46 1xn5 n ARG 65 Ca 0.00 2.22 -0.43 0.00 -0.77 0.00 0.00 57.85 58.87 1xn5 n ARG 65 Cb 0.51 -3.49 -0.03 0.00 -1.02 0.00 0.00 32.46 28.43 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 -4.13 2.14 0.00 5.56 -0.04 -1.26 -3.55 135.00 133.73 1xn5 n PRO 66 Ca -0.05 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1xn5 n PRO 66 Cb 0.66 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 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 5.58 0.00 -3.71 0.52 -6.64 -1.25 -3.90 119.36 109.95 1xn5 n ILE 67 Ca 0.51 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 61.31 1xn5 n ILE 67 Cb 0.40 -0.32 -0.17 0.00 -1.44 0.00 0.00 39.64 38.11 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 -1.75 -0.06 -0.07 6.28 2.47 -1.23 -3.81 119.74 121.58 1xn5 s LYS 68 Ca 0.00 0.30 -0.03 0.00 -1.56 0.00 0.00 55.97 54.68 1xn5 s LYS 68 Cb 0.00 -0.41 0.04 0.00 -1.46 0.00 0.00 37.83 35.99 1xn5 s LYS 68 CO 0.00 -0.27 0.16 -1.17 0.16 0.00 0.00 175.35 174.23 1xn5 s LEU 69 N 1.74 0.70 -0.02 5.43 2.96 -0.53 -2.86 118.68 126.10 1xn5 s LEU 69 Ca -0.00 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1xn5 s LEU 69 Cb -0.12 0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.99 1xn5 s LEU 69 CO -0.03 -0.15 0.19 -0.55 -1.32 0.00 0.00 176.35 174.49 1xn5 s SER 70 N 1.16 -0.07 -0.23 3.68 0.15 0.18 0.90 113.70 119.47 1xn5 s SER 70 Ca -0.09 -0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 1xn5 s SER 70 Cb -0.11 0.27 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1xn5 s SER 70 CO -0.06 -0.34 0.61 0.72 1.20 0.00 0.00 173.24 175.37 1xn5 s PHE 71 N -1.12 -0.73 0.22 3.44 -0.71 -1.20 -3.10 117.98 114.78 1xn5 s PHE 71 Ca -0.12 1.70 -0.15 0.00 -1.04 0.00 0.00 56.93 57.32 1xn5 s PHE 71 Cb -0.06 0.30 -0.08 0.00 -1.21 0.00 0.00 43.02 41.97 1xn5 s PHE 71 CO 0.02 -0.36 0.64 0.95 -1.34 0.00 0.00 175.22 175.13 1xn5 s THR 72 N 0.64 4.75 -0.02 -4.49 -4.23 0.31 -3.87 115.64 108.72 1xn5 s THR 72 Ca -0.02 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1xn5 s THR 72 Cb -0.05 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.10 1xn5 s THR 72 CO -0.04 0.09 0.02 0.86 -0.54 0.00 0.00 174.62 175.02 1xn5 s TRP 73 N -1.65 0.10 0.28 3.99 -0.00 -1.25 -2.94 118.94 117.48 1xn5 s TRP 73 Ca 0.44 0.10 0.00 0.00 -0.00 0.00 0.00 56.10 56.65 1xn5 s TRP 73 Cb -0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 33.47 33.04 1xn5 s TRP 73 CO 0.20 -0.10 0.00 -0.25 -0.00 0.00 0.00 176.95 176.79 1xn5 n ASP 74 N 4.22 -5.79 -2.68 5.86 8.00 -1.16 -4.52 116.55 120.49 1xn5 n ASP 74 Ca -0.27 0.56 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 1xn5 n ASP 74 Cb 0.50 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 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 -3.48 1.76 -0.04 -3.53 -2.24 -1.26 -4.75 114.28 100.73 1xn5 n THR 75 Ca -0.01 -4.38 -0.06 0.00 -2.27 0.00 0.00 64.05 57.33 1xn5 n THR 75 Cb 0.45 -0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 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 -0.23 3.32 0.00 3.42 -0.08 -1.26 -5.04 116.55 116.68 1xn5 n ASP 76 Ca 0.27 -0.05 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1xn5 n ASP 76 Cb 0.67 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.03 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 3.06 0.28 2.80 0.27 0.00 -1.26 -5.15 105.19 105.19 1xn5 n GLY 77 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 0.68 -0.03 1.61 0.51 -1.26 -4.30 118.94 116.15 1xn5 s TRP 78 Ca 0.00 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.81 1xn5 s TRP 78 Cb 0.00 -0.76 0.03 0.00 -0.81 0.00 0.00 33.47 31.93 1xn5 s TRP 78 CO 0.00 -0.29 -0.01 -1.12 -0.51 0.00 0.00 176.95 175.01 1xn5 s SER 79 N 1.68 0.57 -0.04 2.95 0.01 -1.08 -3.85 113.70 113.93 1xn5 s SER 79 Ca 0.01 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.25 1xn5 s SER 79 Cb -0.13 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1xn5 s SER 79 CO -0.04 -0.08 -0.15 0.54 0.41 0.00 0.00 173.24 173.92 1xn5 s VAL 80 N 0.96 2.99 -0.03 3.43 0.11 -1.25 -2.55 120.40 124.06 1xn5 s VAL 80 Ca -0.11 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 1xn5 s VAL 80 Cb -0.14 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.53 1xn5 s VAL 80 CO -0.01 0.58 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.24 1xn5 s THR 81 N -0.73 1.66 -0.00 5.04 2.01 0.14 -3.26 115.64 120.49 1xn5 s THR 81 Ca 0.12 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1xn5 s THR 81 Cb -0.11 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1xn5 s THR 81 CO 0.01 0.47 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.00 1xn5 s PHE 82 N -0.33 2.94 -0.10 4.92 0.08 0.26 -1.19 117.98 124.56 1xn5 s PHE 82 Ca 0.04 -0.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 1xn5 s PHE 82 Cb -0.10 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1xn5 s PHE 82 CO 0.00 0.39 -0.00 -1.01 -0.10 0.00 0.00 175.22 174.50 1xn5 s HIS 83 N -1.00 0.84 0.19 0.36 3.76 -0.62 -1.45 115.29 117.37 1xn5 s HIS 83 Ca 0.17 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1xn5 s HIS 83 Cb -0.11 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1xn5 s HIS 83 CO 0.08 -0.41 0.03 -0.51 -0.85 0.00 0.00 174.74 173.07 1xn5 s LEU 84 N 1.92 3.38 -0.30 0.89 1.02 -1.25 -1.28 118.68 123.05 1xn5 s LEU 84 Ca 0.04 -0.39 -0.15 0.00 0.02 0.00 0.00 54.13 53.65 1xn5 s LEU 84 Cb -0.13 -2.00 0.18 0.00 0.02 0.00 0.00 46.19 44.25 1xn5 s LEU 84 CO -0.06 0.07 1.06 -1.59 0.02 0.00 0.00 176.35 175.84 1xn5 s LYS 85 N -3.12 0.21 0.22 1.70 0.00 -0.97 -3.84 119.74 113.94 1xn5 s LYS 85 Ca 0.29 0.48 -0.30 0.00 0.00 0.00 0.00 55.97 56.44 1xn5 s LYS 85 Cb -0.09 0.28 -0.09 0.00 0.00 0.00 0.00 37.83 37.93 1xn5 s LYS 85 CO 0.20 -0.13 1.40 -2.00 0.00 0.00 0.00 175.35 174.82 1xn5 s GLU 86 N 2.56 4.31 0.00 1.78 -6.30 -1.26 -0.71 118.70 119.08 1xn5 s GLU 86 Ca -0.01 2.20 0.00 0.00 -2.50 0.00 0.00 54.97 54.66 1xn5 s GLU 86 Cb -0.07 -3.15 0.00 0.00 0.00 0.00 0.00 34.13 30.91 1xn5 s GLU 86 CO -0.15 -0.37 0.00 0.39 0.02 0.00 0.00 175.26 175.14 1xn5 n GLU 87 N 2.65 1.86 0.00 4.30 1.02 0.25 -4.87 120.64 125.85 1xn5 n GLU 87 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1xn5 n GLU 87 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xn5 n GLU 88 N -0.46 0.00 -2.80 3.49 1.02 -1.26 -3.68 120.64 116.94 1xn5 n GLU 88 Ca 0.00 0.32 -0.25 0.00 -0.02 0.00 0.00 57.16 57.21 1xn5 n GLU 88 Cb 0.00 -0.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.66 4.02 0.00 1.62 3.02 -1.26 -5.04 115.26 116.97 1xn5 n ASN 89 Ca 0.00 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 50.98 1xn5 n ASN 89 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.26 -0.59 3.36 7.41 0.00 -1.24 -4.78 105.19 109.09 1xn5 n GLY 90 Ca 0.32 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 2.71 -0.18 2.61 2.01 -1.03 0.86 115.64 120.62 1xn5 s THR 91 Ca 0.00 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1xn5 s THR 91 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1xn5 s THR 91 CO 0.00 0.56 0.44 -0.63 -0.69 0.00 0.00 174.62 174.30 1xn5 s ILE 92 N -0.10 5.18 -0.19 1.82 -1.09 0.11 -2.96 121.20 123.97 1xn5 s ILE 92 Ca -0.03 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 1xn5 s ILE 92 Cb -0.14 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1xn5 s ILE 92 CO 0.04 0.26 -0.16 0.12 -1.23 0.00 0.00 174.94 173.97 1xn5 s PHE 93 N 1.16 2.85 -0.03 3.97 2.19 -0.72 -2.28 117.98 125.12 1xn5 s PHE 93 Ca 0.22 -1.56 0.07 0.00 0.33 0.00 0.00 56.93 55.99 1xn5 s PHE 93 Cb -0.15 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.58 1xn5 s PHE 93 CO 0.09 -0.77 -0.24 0.99 1.83 0.00 0.00 175.22 177.12 1xn5 s THR 94 N 1.31 2.19 -0.02 0.12 2.01 -0.41 -0.86 115.64 120.00 1xn5 s THR 94 Ca 0.04 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.05 1xn5 s THR 94 Cb -0.14 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1xn5 s THR 94 CO -0.11 0.58 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.70 1xn5 s ILE 95 N -0.59 1.51 -0.02 1.82 -1.16 0.28 -1.60 121.20 121.44 1xn5 s ILE 95 Ca 0.09 -0.82 0.02 0.00 -0.51 0.00 0.00 60.65 59.43 1xn5 s ILE 95 Cb -0.10 -1.26 0.01 0.00 0.61 0.00 0.00 42.46 41.72 1xn5 s ILE 95 CO -0.00 0.43 -0.06 -0.69 -2.81 0.00 0.00 174.94 171.80 1xn5 s VAL 96 N -0.44 0.60 -0.04 4.00 1.01 -0.33 -1.17 120.40 124.02 1xn5 s VAL 96 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1xn5 s VAL 96 Cb -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.78 1xn5 s VAL 96 CO -0.01 0.20 -0.00 -2.28 0.00 0.00 0.00 175.10 173.01 1xn5 s HIS 97 N 0.33 0.48 0.26 5.22 5.04 -1.23 -0.68 115.29 124.71 1xn5 s HIS 97 Ca -0.04 -0.07 0.03 0.00 -1.54 0.00 0.00 55.06 53.43 1xn5 s HIS 97 Cb -0.09 -0.58 -0.04 0.00 0.04 0.00 0.00 32.58 31.92 1xn5 s HIS 97 CO 0.00 -0.20 0.19 -1.12 -2.34 0.00 0.00 174.74 171.27 1xn5 s SER 98 N 1.36 0.84 0.00 9.88 0.01 -1.06 -2.13 113.70 122.60 1xn5 s SER 98 Ca -0.05 -1.55 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1xn5 s SER 98 Cb -0.13 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1xn5 s SER 98 CO -0.02 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1xn5 n GLY 99 N -0.43 1.44 3.51 3.44 0.00 -1.26 -2.63 105.19 109.25 1xn5 n GLY 99 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1xn5 n GLY 99 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn5 n TRP 100 N -0.29 -2.11 -0.48 1.61 7.02 -1.26 -4.53 117.44 117.39 1xn5 n TRP 100 Ca 0.00 -1.94 0.00 0.00 -1.02 0.00 0.00 57.50 54.54 1xn5 n TRP 100 Cb 0.00 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.41 1xn5 n TRP 100 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn5 n LYS 101 N -2.07 3.25 -3.09 -0.99 5.02 -1.26 -5.05 118.16 113.97 1xn5 n LYS 101 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 1xn5 n LYS 101 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.53 1xn5 n LYS 101 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1xn5 s GLN 102 N 4.29 3.67 -0.24 1.97 0.74 -1.26 -3.89 119.66 124.95 1xn5 s GLN 102 Ca 0.00 0.19 -0.04 0.00 0.05 0.00 0.00 55.36 55.56 1xn5 s GLN 102 Cb 0.00 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 1xn5 s GLN 102 CO 0.00 0.08 2.82 0.41 -0.55 0.00 0.00 175.29 178.05 1xn5 n GLY 103 N -1.23 3.67 1.35 2.59 0.00 -1.26 -3.43 105.19 106.88 1xn5 n GLY 103 Ca -0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 1.36 -0.07 -0.06 1.61 2.03 -1.26 -4.85 116.55 115.32 1xn5 n ASP 104 Ca 0.38 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.83 1xn5 n ASP 104 Cb 0.67 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.06 0.19 -1.04 5.18 5.66 -1.22 -5.13 114.28 117.86 1xn5 n THR 105 Ca -0.01 -0.20 0.12 0.00 -3.05 0.00 0.00 64.05 60.92 1xn5 n THR 105 Cb 0.47 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 70.05 1xn5 n THR 105 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1xn5 n LYS 106 N -0.11 -1.98 -4.24 1.09 4.81 -1.26 -4.77 118.16 111.70 1xn5 n LYS 106 Ca 0.00 1.40 -0.33 0.00 -0.87 0.00 0.00 58.31 58.51 1xn5 n LYS 106 Cb 0.49 -2.48 -0.16 0.00 0.02 0.00 0.00 35.03 32.90 1xn5 n LYS 106 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xn5 s VAL 107 N -2.51 2.19 -0.28 3.15 1.01 -0.66 -4.60 120.40 118.69 1xn5 s VAL 107 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1xn5 s VAL 107 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1xn5 s VAL 107 CO 0.00 0.53 2.67 -1.84 0.00 0.00 0.00 175.10 176.46 1xn5 n GLU 108 N 4.49 2.01 0.00 2.72 0.28 -1.26 -3.88 120.64 125.00 1xn5 n GLU 108 Ca -0.20 -1.61 0.00 0.00 -0.16 0.00 0.00 57.16 55.18 1xn5 n GLU 108 Cb 0.50 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.52 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xn5 n LYS 109 N 1.13 0.00 -0.00 3.44 0.00 -1.26 -5.00 118.16 116.47 1xn5 n LYS 109 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.68 1xn5 n LYS 109 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.66 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 0.44 -0.15 0.00 3.14 0.00 -2.01 -3.46 119.26 117.21 1xn5 h ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn5 h ALA 110 Cb 0.00 0.85 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xn5 h ALA 110 CO 0.00 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1xn5 n GLY 111 N -1.00 0.65 0.00 0.00 0.00 -1.25 -5.13 105.19 98.45 1xn5 n GLY 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 n ALA 112 N 0.00 0.00 -1.76 4.61 0.00 -1.26 -5.06 120.51 117.04 1xn5 n ALA 112 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1xn5 n ALA 112 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1xn5 n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1xn5 s GLU 113 N -1.00 3.46 0.23 0.00 2.02 -1.26 -1.66 118.70 120.49 1xn5 s GLU 113 Ca 0.00 1.91 -0.04 0.00 0.02 0.00 0.00 54.97 56.86 1xn5 s GLU 113 Cb 0.00 -2.29 0.22 0.00 0.10 0.00 0.00 34.13 32.17 1xn5 s GLU 113 CO 0.00 -0.83 1.67 0.66 0.02 0.00 0.00 175.26 176.77 1xn5 h SER 114 N 1.70 0.79 -0.67 -0.19 4.64 -1.86 0.17 113.55 118.12 1xn5 h SER 114 Ca -0.50 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 60.51 1xn5 h SER 114 Cb 1.27 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1xn5 h SER 114 CO 0.59 0.94 0.20 0.00 -0.87 0.00 0.00 176.83 177.69 1xn5 h ALA 115 N 1.12 0.88 0.01 5.18 0.00 -1.88 1.19 119.26 125.76 1xn5 h ALA 115 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xn5 h ALA 115 Cb 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xn5 h ALA 115 CO 0.05 0.57 -0.00 0.28 0.00 0.00 0.00 179.25 180.14 1xn5 h VAL 116 N 0.99 1.33 -0.38 0.00 2.07 -1.87 -1.88 116.25 116.52 1xn5 h VAL 116 Ca 0.22 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xn5 h VAL 116 Cb 0.31 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1xn5 h VAL 116 CO -0.00 0.27 0.22 0.58 0.02 0.00 0.00 177.57 178.66 1xn5 h VAL 117 N -0.46 1.13 -0.53 2.57 2.07 -0.52 0.17 116.25 120.68 1xn5 h VAL 117 Ca -0.00 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.30 1xn5 h VAL 117 Cb 0.45 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1xn5 h VAL 117 CO 0.00 0.13 0.02 -0.74 0.02 0.00 0.00 177.57 177.01 1xn5 h HIS 118 N 0.49 -0.00 -0.08 1.57 6.17 0.15 1.14 115.15 124.60 1xn5 h HIS 118 Ca 0.14 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.24 1xn5 h HIS 118 Cb 0.02 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 1xn5 h HIS 118 CO -0.03 -0.11 0.01 0.93 0.71 0.00 0.00 177.93 179.44 1xn5 h GLU 119 N 0.14 0.13 0.61 5.26 5.08 -0.86 0.24 114.58 125.17 1xn5 h GLU 119 Ca 0.27 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1xn5 h GLU 119 Cb 0.41 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xn5 h GLU 119 CO -0.43 0.34 -0.38 0.00 -1.00 0.00 0.00 179.01 177.54 1xn5 h ARG 120 N -0.11 -0.89 -0.61 2.33 3.08 0.36 0.24 114.38 118.78 1xn5 h ARG 120 Ca 0.02 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.23 1xn5 h ARG 120 Cb 0.28 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 1xn5 h ARG 120 CO 0.00 -0.59 0.21 0.52 -1.07 0.00 0.00 179.97 179.03 1xn5 h MET 121 N -0.93 0.36 0.13 0.04 2.86 0.13 -0.05 114.93 117.47 1xn5 h MET 121 Ca -0.08 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1xn5 h MET 121 Cb 0.74 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1xn5 h MET 121 CO 0.08 0.24 -0.28 0.22 1.06 0.00 0.00 176.91 178.23 1xn5 h ASP 122 N 0.38 -0.81 -0.23 1.22 3.58 -0.33 1.34 116.42 121.57 1xn5 h ASP 122 Ca 0.31 0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.91 1xn5 h ASP 122 Cb 0.41 0.30 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 1xn5 h ASP 122 CO -0.33 -0.37 -0.26 0.03 -2.88 0.00 0.00 179.24 175.43 1xn5 h ARG 123 N -0.50 -0.26 0.00 0.28 2.47 0.29 0.55 114.38 117.20 1xn5 h ARG 123 Ca 0.03 0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1xn5 h ARG 123 Cb 0.53 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 1xn5 h ARG 123 CO -0.16 -0.17 -0.19 0.78 0.56 0.00 0.00 179.97 180.79 1xn5 h GLY 124 N -0.27 0.00 0.54 0.04 0.00 -0.58 0.31 103.07 103.11 1xn5 h GLY 124 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1xn5 h GLY 124 CO -0.39 0.00 -0.12 1.49 0.00 0.00 0.00 176.54 177.52 1xn5 h TRP 125 N 0.00 -0.32 0.46 5.60 -0.00 0.45 0.19 115.95 122.33 1xn5 h TRP 125 Ca -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 1xn5 h TRP 125 Cb 0.41 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 1xn5 h TRP 125 CO 0.00 0.05 -0.22 1.25 -0.00 0.00 0.00 178.44 179.52 1xn5 h HIS 126 N -0.81 -0.58 -0.94 0.49 2.76 0.20 -1.30 115.15 114.98 1xn5 h HIS 126 Ca -0.04 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.29 1xn5 h HIS 126 Cb 0.51 0.19 -0.08 0.00 1.55 0.00 0.00 27.41 29.58 1xn5 h HIS 126 CO 0.05 -0.31 0.60 0.22 -1.30 0.00 0.00 177.93 177.19 1xn5 h ASP 127 N -0.72 0.65 0.39 3.26 1.82 -0.46 1.21 116.42 122.57 1xn5 h ASP 127 Ca -0.06 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1xn5 h ASP 127 Cb 0.53 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1xn5 h ASP 127 CO 0.10 0.29 -0.17 0.25 -1.61 0.00 0.00 179.24 178.10 1xn5 h LEU 128 N 0.67 0.00 -3.28 2.28 5.85 -0.13 -2.03 115.31 118.66 1xn5 h LEU 128 Ca 0.49 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 59.02 1xn5 h LEU 128 Cb 0.87 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.76 1xn5 h LEU 128 CO -0.25 0.17 -0.46 0.55 -0.34 0.00 0.00 178.44 178.12 1xn5 n VAL 129 N -3.77 2.40 0.00 1.05 3.14 0.36 -2.63 118.33 118.89 1xn5 n VAL 129 Ca -0.02 -3.38 0.00 0.00 -2.96 0.00 0.00 64.34 57.98 1xn5 n VAL 129 Cb 0.28 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 1xn5 n VAL 129 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xn5 n ASN 130 N -1.02 0.06 0.01 6.55 2.85 0.19 -4.73 115.26 119.18 1xn5 n ASN 130 Ca 0.29 0.01 -0.01 0.00 -0.11 0.00 0.00 54.58 54.76 1xn5 n ASN 130 Cb 0.83 -0.02 -0.00 0.00 1.24 0.00 0.00 39.78 41.83 1xn5 n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xn5 n GLU 131 N -3.00 0.03 -0.36 1.20 1.02 -1.04 -4.27 120.64 114.22 1xn5 n GLU 131 Ca 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1xn5 n GLU 131 Cb 0.44 -0.56 -0.09 0.00 -0.02 0.00 0.00 31.44 31.21 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xn5 h ARG 132 N -0.06 -0.03 -0.63 3.49 2.47 -1.72 0.89 114.38 118.79 1xn5 h ARG 132 Ca -0.03 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 1xn5 h ARG 132 Cb 0.67 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 1xn5 h ARG 132 CO -0.02 -0.02 0.12 1.25 0.56 0.00 0.00 179.97 181.86 1xn5 h LEU 133 N -0.03 0.99 -1.69 3.04 5.85 -1.78 -2.12 115.31 119.56 1xn5 h LEU 133 Ca 0.14 -0.25 0.20 0.00 0.84 0.00 0.00 57.88 58.81 1xn5 h LEU 133 Cb 0.39 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1xn5 h LEU 133 CO -0.83 0.99 0.57 -0.09 -0.34 0.00 0.00 178.44 178.73 1xn5 h ARG 134 N 0.95 0.26 0.00 1.25 2.43 -0.47 0.46 114.38 119.25 1xn5 h ARG 134 Ca 0.19 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.16 1xn5 h ARG 134 Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1xn5 h ARG 134 CO 0.01 0.17 -0.86 1.96 -1.51 0.00 0.00 179.97 179.74 1xn5 h GLN 135 N 0.27 0.16 -0.10 0.20 4.20 0.12 0.59 115.11 120.55 1xn5 h GLN 135 Ca 0.42 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.98 1xn5 h GLN 135 Cb 1.23 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1xn5 h GLN 135 CO -0.11 0.93 0.26 0.82 -0.67 0.00 0.00 178.83 180.06 1xn5 h ILE 136 N 0.09 0.17 0.00 2.54 1.08 0.26 -2.18 117.51 119.48 1xn5 h ILE 136 Ca -0.04 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 1xn5 h ILE 136 Cb 1.49 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 1xn5 h ILE 136 CO 0.13 0.00 -1.49 1.33 -0.69 0.00 0.00 178.15 177.43 1xn5 n VAL 137 N -3.26 0.49 1.57 1.67 0.24 -1.13 -5.04 118.33 112.88 1xn5 n VAL 137 Ca 0.00 -0.22 0.14 0.00 -2.04 0.00 0.00 64.34 62.22 1xn5 n VAL 137 Cb 0.35 -0.81 0.59 0.00 -1.47 0.00 0.00 33.84 32.49 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07