#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 0.00 -0.27 2.03 5.66 -1.26 -5.00 114.28 115.44 1xn5 n THR 2 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1xn5 n THR 2 Cb 0.00 -1.03 0.10 0.00 -1.55 0.00 0.00 70.33 67.86 1xn5 n THR 2 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1xn5 n ARG 3 N -0.07 -1.35 -1.56 1.09 1.85 -1.26 -4.66 116.66 110.70 1xn5 n ARG 3 Ca 0.00 -0.51 -0.49 0.00 -1.00 0.00 0.00 57.85 55.84 1xn5 n ARG 3 Cb 0.00 -0.92 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 1xn5 n ARG 3 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1xn5 n LEU 4 N 0.00 2.74 -4.79 2.89 4.77 -1.14 -4.80 117.00 116.67 1xn5 n LEU 4 Ca 0.05 0.59 -0.36 0.00 -0.03 0.00 0.00 56.01 56.26 1xn5 n LEU 4 Cb 0.21 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 39.93 1xn5 n LEU 4 CO 0.14 -0.50 0.73 -2.16 -1.33 0.00 0.00 177.39 174.27 1xn5 s PRO 5 N 5.43 4.06 -0.49 3.23 0.04 -1.26 -4.72 135.00 141.29 1xn5 s PRO 5 Ca 1.02 1.48 -0.45 0.00 0.04 0.00 0.00 61.00 63.10 1xn5 s PRO 5 Cb -0.73 -2.42 -0.19 0.00 0.04 0.00 0.00 34.50 31.19 1xn5 s PRO 5 CO 0.49 -0.23 1.91 -0.40 0.04 0.00 0.00 177.00 178.81 1xn5 n ASP 6 N -0.31 1.05 -4.55 6.66 5.68 -1.26 -4.64 116.55 119.19 1xn5 n ASP 6 Ca 0.06 0.89 -0.16 0.00 -0.50 0.00 0.00 54.79 55.09 1xn5 n ASP 6 Cb 0.50 -0.91 -0.09 0.00 -1.14 0.00 0.00 41.12 39.48 1xn5 n ASP 6 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1xn5 n ILE 7 N 5.43 -0.01 -3.76 2.12 5.41 0.32 -4.65 119.36 124.23 1xn5 n ILE 7 Ca 0.44 -0.52 -0.35 0.00 1.00 0.00 0.00 62.75 63.32 1xn5 n ILE 7 Cb -0.03 -1.81 -0.09 0.00 -0.71 0.00 0.00 39.64 37.00 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 8.68 4.10 0.16 0.38 2.20 -1.26 -1.27 119.74 132.73 1xn5 s LYS 8 Ca 0.98 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 1xn5 s LYS 8 Cb -0.22 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1xn5 s LYS 8 CO 0.15 0.21 -0.06 0.15 -0.36 0.00 0.00 175.35 175.44 1xn5 s LYS 9 N 0.61 1.10 -0.10 4.03 3.01 -0.16 -4.98 119.74 123.26 1xn5 s LYS 9 Ca 0.07 -1.50 -0.08 0.00 -1.01 0.00 0.00 55.97 53.45 1xn5 s LYS 9 Cb -0.12 -0.52 0.03 0.00 -1.01 0.00 0.00 37.83 36.20 1xn5 s LYS 9 CO 0.01 -0.00 0.24 -2.00 0.51 0.00 0.00 175.35 174.11 1xn5 s GLU 10 N -3.81 0.26 0.10 1.68 -6.30 -1.26 -0.18 118.70 109.19 1xn5 s GLU 10 Ca 0.20 0.39 0.01 0.00 -2.50 0.00 0.00 54.97 53.07 1xn5 s GLU 10 Cb 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 34.13 34.20 1xn5 s GLU 10 CO 0.02 -0.07 -0.05 0.14 0.02 0.00 0.00 175.26 175.32 1xn5 s VAL 11 N 0.43 0.61 -0.12 3.70 -7.23 -0.37 -5.02 120.40 112.40 1xn5 s VAL 11 Ca -0.02 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1xn5 s VAL 11 Cb -0.04 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 35.23 1xn5 s VAL 11 CO -0.02 -0.86 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.19 1xn5 s ARG 12 N -3.85 1.93 0.13 4.82 3.52 -1.26 -2.10 118.95 122.12 1xn5 s ARG 12 Ca 0.12 -0.43 0.10 0.00 -0.13 0.00 0.00 55.73 55.39 1xn5 s ARG 12 Cb 0.06 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 1xn5 s ARG 12 CO -0.05 -0.18 -0.25 -0.06 -0.81 0.00 0.00 175.30 173.95 1xn5 s PHE 13 N 1.38 2.16 -0.68 5.12 0.08 -1.14 -5.04 117.98 119.86 1xn5 s PHE 13 Ca 0.01 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 1xn5 s PHE 13 Cb -0.13 -1.17 0.12 0.00 -0.57 0.00 0.00 43.02 41.27 1xn5 s PHE 13 CO -0.06 0.31 0.82 1.21 -0.10 0.00 0.00 175.22 177.39 1xn5 s ASN 14 N -2.06 6.31 -0.09 1.36 3.84 -1.26 -2.36 114.94 120.68 1xn5 s ASN 14 Ca 0.12 -1.61 -0.33 0.00 0.21 0.00 0.00 52.86 51.26 1xn5 s ASN 14 Cb -0.10 -2.32 0.14 0.00 -0.55 0.00 0.00 41.25 38.41 1xn5 s ASN 14 CO 0.06 -1.10 1.34 0.00 -2.79 0.00 0.00 177.10 174.61 1xn5 s ALA 15 N 2.61 -2.31 0.14 1.71 0.00 -1.26 -4.89 121.76 117.77 1xn5 s ALA 15 Ca 0.17 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 1xn5 s ALA 15 Cb -0.19 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 1xn5 s ALA 15 CO 0.03 -0.95 1.13 -1.25 0.00 0.00 0.00 175.76 174.72 1xn5 s PRO 16 N -2.24 4.54 0.59 0.00 0.04 -1.26 -3.57 135.00 133.10 1xn5 s PRO 16 Ca 0.14 1.74 0.28 0.00 0.04 0.00 0.00 61.00 63.20 1xn5 s PRO 16 Cb 0.05 -3.30 1.65 0.00 0.04 0.00 0.00 34.50 32.94 1xn5 s PRO 16 CO -0.05 -0.03 2.11 0.97 0.04 0.00 0.00 177.00 180.04 1xn5 h ILE 17 N 3.96 0.50 -0.51 0.56 2.10 -1.97 0.06 117.51 122.21 1xn5 h ILE 17 Ca -0.44 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 1xn5 h ILE 17 Cb 1.21 0.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.77 1xn5 h ILE 17 CO 0.75 0.00 0.29 -0.08 -1.08 0.00 0.00 178.15 178.02 1xn5 h GLU 18 N 0.00 0.71 0.32 2.19 4.81 -1.98 0.44 114.58 121.08 1xn5 h GLU 18 Ca 0.08 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xn5 h GLU 18 Cb 0.45 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xn5 h GLU 18 CO -0.00 0.55 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.46 1xn5 h LYS 19 N 0.69 -0.42 -0.82 1.92 3.64 -1.39 0.60 116.57 120.79 1xn5 h LYS 19 Ca 0.18 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.77 1xn5 h LYS 19 Cb 0.04 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1xn5 h LYS 19 CO -0.03 -0.09 0.55 0.28 -2.27 0.00 0.00 179.45 177.89 1xn5 h VAL 20 N -0.82 0.73 0.13 2.00 2.07 -1.34 0.74 116.25 119.76 1xn5 h VAL 20 Ca -0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1xn5 h VAL 20 Cb 0.52 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1xn5 h VAL 20 CO 0.07 0.07 -0.06 -0.25 0.02 0.00 0.00 177.57 177.42 1xn5 h TRP 21 N 0.38 -0.16 -0.19 1.57 -0.00 0.08 0.90 115.95 118.53 1xn5 h TRP 21 Ca 0.41 -0.00 0.06 0.00 -0.00 0.00 0.00 58.89 59.35 1xn5 h TRP 21 Cb 1.03 0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 30.23 1xn5 h TRP 21 CO -0.00 0.31 0.26 0.93 -0.00 0.00 0.00 178.44 179.94 1xn5 h GLU 22 N -0.85 0.00 0.17 2.65 5.08 0.17 1.07 114.58 122.86 1xn5 h GLU 22 Ca -0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1xn5 h GLU 22 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1xn5 h GLU 22 CO 0.03 0.00 -1.48 0.00 -1.00 0.00 0.00 179.01 176.56 1xn5 h ALA 23 N 1.66 0.08 -0.19 3.43 0.00 0.52 -1.79 119.26 122.96 1xn5 h ALA 23 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1xn5 h ALA 23 Cb 0.61 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xn5 h ALA 23 CO -0.00 0.82 0.00 1.33 0.00 0.00 0.00 179.25 181.40 1xn5 n VAL 24 N -3.80 0.25 -0.03 0.00 0.24 0.30 -2.40 118.33 112.90 1xn5 n VAL 24 Ca -0.22 -0.27 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1xn5 n VAL 24 Cb 0.99 0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 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 0.08 3.67 -4.92 -1.34 3.41 0.35 -4.91 113.62 109.96 1xn5 n SER 25 Ca 0.09 -0.01 -0.27 0.00 -0.26 0.00 0.00 58.87 58.43 1xn5 n SER 25 Cb 0.19 0.46 0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.13 3.83 -0.14 6.66 -4.23 -0.68 -3.11 115.64 115.84 1xn5 s THR 26 Ca -0.04 0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.31 1xn5 s THR 26 Cb 0.02 -3.51 -0.16 0.00 1.34 0.00 0.00 72.50 70.19 1xn5 s THR 26 CO 0.20 -0.52 0.37 0.28 -0.54 0.00 0.00 174.62 174.41 1xn5 h SER 27 N -0.11 0.00 -0.98 3.99 0.02 -1.85 -2.84 113.55 111.78 1xn5 h SER 27 Ca -0.46 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.00 1xn5 h SER 27 Cb 1.25 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1xn5 h SER 27 CO 0.61 0.94 0.64 -0.08 -1.14 0.00 0.00 176.83 177.80 1xn5 h GLU 28 N -1.00 1.16 -0.31 3.45 4.81 -1.91 0.43 114.58 121.22 1xn5 h GLU 28 Ca -0.07 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1xn5 h GLU 28 Cb 0.76 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xn5 h GLU 28 CO -0.04 0.77 -0.16 0.78 -0.73 0.00 0.00 179.01 179.63 1xn5 h GLY 29 N 1.20 0.59 0.33 1.92 0.00 -1.77 -0.77 103.07 104.57 1xn5 h GLY 29 Ca 0.41 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1xn5 h GLY 29 CO -0.15 0.41 -0.05 1.41 0.00 0.00 0.00 176.54 178.16 1xn5 h LEU 30 N 0.50 -0.12 -1.81 3.11 3.38 -0.84 -2.98 115.31 116.55 1xn5 h LEU 30 Ca 0.09 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xn5 h LEU 30 Cb 0.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1xn5 h LEU 30 CO 0.04 0.48 0.04 0.00 0.09 0.00 0.00 178.44 179.09 1xn5 h ALA 31 N -0.11 1.03 0.00 1.53 0.00 0.06 1.61 119.26 123.38 1xn5 h ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xn5 h ALA 31 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xn5 h ALA 31 CO 0.02 -0.03 0.00 0.35 0.00 0.00 0.00 179.25 179.59 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -0.97 -3.35 116.94 115.66 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 0.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1xn5 h PHE 32 CO 0.00 0.00 -0.08 -2.67 -2.02 0.00 0.00 178.31 173.54 1xn5 n TRP 33 N -2.74 0.00 0.00 0.41 4.27 0.48 -4.95 117.44 114.91 1xn5 n TRP 33 Ca -0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1xn5 n TRP 33 Cb 0.18 0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 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 -2.50 0.00 -3.63 -2.67 7.35 0.52 -4.98 117.46 111.56 1xn5 n PHE 34 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1xn5 n PHE 34 Cb 0.04 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.86 1xn5 n PHE 34 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn5 s MET 35 N -0.01 0.66 0.33 -4.13 -1.94 -1.21 -4.86 119.30 108.13 1xn5 s MET 35 Ca 0.00 -0.33 -0.29 0.00 -1.71 0.00 0.00 55.69 53.36 1xn5 s MET 35 Cb 0.00 0.25 -0.11 0.00 2.01 0.00 0.00 34.83 36.97 1xn5 s MET 35 CO 0.00 -0.30 1.55 0.39 -0.01 0.00 0.00 175.02 176.66 1xn5 n GLU 36 N -0.36 2.69 -2.86 2.03 1.02 -1.26 -2.62 120.64 119.27 1xn5 n GLU 36 Ca -0.06 0.95 -0.04 0.00 -0.02 0.00 0.00 57.16 57.99 1xn5 n GLU 36 Cb 0.61 -2.71 0.02 0.00 -0.02 0.00 0.00 31.44 29.34 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 1.48 -1.34 -1.54 1.62 0.23 -1.26 -2.17 115.26 112.28 1xn5 n ASN 37 Ca 0.06 -1.85 -0.01 0.00 -0.53 0.00 0.00 54.58 52.24 1xn5 n ASN 37 Cb 0.38 2.21 0.09 0.00 -2.08 0.00 0.00 39.78 40.37 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 -1.22 2.06 -4.77 0.53 -0.08 -1.19 -4.77 116.55 107.11 1xn5 n ASP 38 Ca -0.04 -2.95 -0.35 0.00 -1.51 0.00 0.00 54.79 49.94 1xn5 n ASP 38 Cb 0.38 -0.41 0.01 0.00 2.34 0.00 0.00 41.12 43.43 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 -2.40 3.71 -0.02 -2.67 0.20 -1.26 -4.83 118.68 111.41 1xn5 s LEU 39 Ca 0.37 2.19 0.17 0.00 0.69 0.00 0.00 54.13 57.55 1xn5 s LEU 39 Cb 0.37 -4.58 0.29 0.00 -0.43 0.00 0.00 46.19 41.85 1xn5 s LEU 39 CO -0.08 -1.30 1.12 0.29 -0.29 0.00 0.00 176.35 176.10 1xn5 n LYS 40 N -1.42 0.13 -3.74 1.98 5.02 -1.25 -3.55 118.16 115.32 1xn5 n LYS 40 Ca 0.12 -1.73 -0.26 0.00 -2.02 0.00 0.00 58.31 54.41 1xn5 n LYS 40 Cb 0.51 0.09 0.01 0.00 -0.02 0.00 0.00 35.03 35.62 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 0.23 -2.70 -3.41 7.82 0.00 -1.18 -4.97 120.51 116.29 1xn5 n ALA 41 Ca -0.06 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1xn5 n ALA 41 Cb 0.98 -1.59 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -5.28 0.30 0.26 0.00 2.12 -1.26 -4.95 118.70 109.89 1xn5 s GLU 42 Ca 0.15 0.46 -0.29 0.00 0.36 0.00 0.00 54.97 55.65 1xn5 s GLU 42 Cb -0.07 -0.66 -0.14 0.00 0.26 0.00 0.00 34.13 33.51 1xn5 s GLU 42 CO 0.89 -0.63 1.07 -2.37 -0.54 0.00 0.00 175.26 173.68 1xn5 n THR 43 N 5.35 1.71 -3.30 -1.70 5.66 -1.26 -1.82 114.28 118.92 1xn5 n THR 43 Ca -0.04 -0.43 -0.17 0.00 -3.05 0.00 0.00 64.05 60.36 1xn5 n THR 43 Cb 0.50 -1.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.34 1xn5 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xn5 n GLY 44 N 1.44 -0.22 2.60 1.09 0.00 -0.52 -4.96 105.19 104.63 1xn5 n GLY 44 Ca 0.11 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1xn5 n GLY 44 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xn5 n HIS 45 N -4.21 3.40 -1.42 1.61 -0.00 -0.76 -4.93 115.22 108.92 1xn5 n HIS 45 Ca -0.05 -3.87 -0.52 0.00 -0.00 0.00 0.00 57.72 53.27 1xn5 n HIS 45 Cb 0.57 -0.73 -0.08 0.00 -0.00 0.00 0.00 29.99 29.75 1xn5 n HIS 45 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1xn5 n HIS 46 N 1.08 1.55 -4.45 1.57 1.44 -1.26 -4.18 115.22 110.97 1xn5 n HIS 46 Ca 0.28 0.36 -0.28 0.00 -2.01 0.00 0.00 57.72 56.07 1xn5 n HIS 46 Cb 0.39 -2.49 -0.13 0.00 0.12 0.00 0.00 29.99 27.88 1xn5 n HIS 46 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1xn5 s PHE 47 N 6.93 2.23 0.52 -1.40 -0.71 0.28 -4.94 117.98 120.89 1xn5 s PHE 47 Ca 1.11 -0.39 -0.15 0.00 -1.04 0.00 0.00 56.93 56.46 1xn5 s PHE 47 Cb -0.97 -1.23 -0.07 0.00 -1.21 0.00 0.00 43.02 39.54 1xn5 s PHE 47 CO 0.52 0.28 0.98 -1.01 -1.34 0.00 0.00 175.22 174.66 1xn5 s HIS 48 N -1.03 3.48 -0.08 3.49 3.76 -1.26 0.12 115.29 123.77 1xn5 s HIS 48 Ca 0.12 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.45 1xn5 s HIS 48 Cb -0.10 -2.76 0.02 0.00 1.11 0.00 0.00 32.58 30.85 1xn5 s HIS 48 CO 0.05 -0.40 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.28 1xn5 s LEU 49 N -4.23 1.40 -1.08 0.89 2.96 -0.29 -3.18 118.68 115.15 1xn5 s LEU 49 Ca 0.58 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1xn5 s LEU 49 Cb -0.10 -0.79 0.27 0.00 0.50 0.00 0.00 46.19 46.07 1xn5 s LEU 49 CO 0.35 -0.05 1.06 -1.10 -1.32 0.00 0.00 176.35 175.30 1xn5 s GLN 50 N 1.17 4.10 0.60 1.98 -1.52 -0.92 -1.76 119.66 123.31 1xn5 s GLN 50 Ca -0.05 -3.18 -0.02 0.00 -1.95 0.00 0.00 55.36 50.16 1xn5 s GLN 50 Cb -0.14 -4.50 0.04 0.00 -0.22 0.00 0.00 33.01 28.18 1xn5 s GLN 50 CO -0.02 -1.25 0.86 -1.54 -0.25 0.00 0.00 175.29 173.09 1xn5 s SER 51 N 1.27 5.18 0.46 5.90 1.04 -1.26 -4.20 113.70 122.09 1xn5 s SER 51 Ca 0.30 0.23 0.28 0.00 0.48 0.00 0.00 55.95 57.24 1xn5 s SER 51 Cb -0.10 -1.07 0.87 0.00 0.10 0.00 0.00 66.02 65.82 1xn5 s SER 51 CO -0.08 -1.26 1.79 1.55 0.98 0.00 0.00 173.24 176.22 1xn5 h PRO 52 N -0.16 0.00 -2.04 4.02 0.13 -2.01 -3.26 132.00 128.68 1xn5 h PRO 52 Ca -0.43 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 63.96 1xn5 h PRO 52 Cb 1.30 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.12 1xn5 h PRO 52 CO 0.56 0.00 0.63 0.34 -0.23 0.00 0.00 178.00 179.30 1xn5 n PHE 53 N -2.96 3.09 -0.30 1.56 -0.00 -1.26 -5.00 117.46 112.58 1xn5 n PHE 53 Ca 0.02 -2.68 0.00 0.00 -0.00 0.00 0.00 57.45 54.79 1xn5 n PHE 53 Cb 0.40 -0.97 0.00 0.00 -0.00 0.00 0.00 39.48 38.92 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn5 n GLY 54 N -0.35 -3.05 3.75 7.13 0.00 -1.23 -4.91 105.19 106.53 1xn5 n GLY 54 Ca 0.47 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1xn5 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xn5 s PRO 55 N -4.30 4.61 0.03 1.61 0.04 -1.26 -4.00 135.00 131.73 1xn5 s PRO 55 Ca 0.00 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1xn5 s PRO 55 Cb 0.00 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1xn5 s PRO 55 CO 0.00 0.12 -0.09 -1.12 0.04 0.00 0.00 177.00 175.95 1xn5 s SER 56 N -0.39 1.05 0.47 6.66 0.01 -0.72 -4.99 113.70 115.80 1xn5 s SER 56 Ca 0.48 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 57.10 1xn5 s SER 56 Cb -0.30 -0.03 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 1xn5 s SER 56 CO 0.37 -0.08 1.04 -2.16 0.41 0.00 0.00 173.24 172.82 1xn5 s PRO 57 N -1.15 3.86 0.05 12.44 0.04 -1.26 -1.13 135.00 147.85 1xn5 s PRO 57 Ca -0.04 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1xn5 s PRO 57 Cb -0.08 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1xn5 s PRO 57 CO 0.01 -0.38 -0.05 0.00 0.04 0.00 0.00 177.00 176.62 1xn5 s GLN 59 N -2.75 0.42 0.17 0.00 0.74 -1.22 0.10 119.66 117.11 1xn5 s GLN 59 Ca -0.02 0.82 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1xn5 s GLN 59 Cb -0.01 -0.01 -0.08 0.00 1.10 0.00 0.00 33.01 34.01 1xn5 s GLN 59 CO -0.04 -0.16 1.20 0.08 -0.55 0.00 0.00 175.29 175.82 1xn5 s VAL 60 N 1.40 3.63 -0.21 1.34 1.01 -1.26 -1.87 120.40 124.44 1xn5 s VAL 60 Ca -0.09 1.34 0.11 0.00 0.00 0.00 0.00 61.98 63.34 1xn5 s VAL 60 Cb -0.08 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.22 1xn5 s VAL 60 CO -0.13 0.20 -0.01 0.35 0.00 0.00 0.00 175.10 175.50 1xn5 n THR 61 N 2.72 1.45 -3.65 3.92 -2.24 -1.11 -1.43 114.28 113.92 1xn5 n THR 61 Ca 0.05 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 60.98 1xn5 n THR 61 Cb 0.45 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 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 -5.94 -0.75 -0.30 3.42 1.01 -1.24 -4.75 116.67 108.12 1xn5 s ASP 62 Ca -0.20 1.33 -0.05 0.00 0.71 0.00 0.00 52.55 54.34 1xn5 s ASP 62 Cb 0.07 1.27 0.18 0.00 1.01 0.00 0.00 42.92 45.46 1xn5 s ASP 62 CO 0.74 -0.23 0.71 0.54 0.21 0.00 0.00 175.17 177.15 1xn5 s VAL 63 N 0.93 -0.84 -0.28 -1.27 0.11 -1.26 -0.82 120.40 116.97 1xn5 s VAL 63 Ca -0.05 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1xn5 s VAL 63 Cb -0.05 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.96 1xn5 s VAL 63 CO -0.08 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.46 1xn5 s GLU 64 N 2.87 0.45 0.47 1.54 2.56 -1.14 -4.45 118.70 121.00 1xn5 s GLU 64 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1xn5 s GLU 64 Cb -0.14 -0.07 0.00 0.00 2.00 0.00 0.00 34.13 35.92 1xn5 s GLU 64 CO -0.19 -0.84 0.00 0.54 -0.56 0.00 0.00 175.26 174.22 1xn5 n ARG 65 N 5.38 -2.92 -1.41 4.30 3.00 -1.26 -4.01 116.66 119.75 1xn5 n ARG 65 Ca -0.00 2.21 -0.42 0.00 -0.01 0.00 0.00 57.85 59.63 1xn5 n ARG 65 Cb 0.51 -3.52 -0.03 0.00 0.00 0.00 0.00 32.46 29.41 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 -4.14 2.15 0.00 5.56 -0.04 -1.26 -3.52 135.00 133.74 1xn5 n PRO 66 Ca -0.04 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1xn5 n PRO 66 Cb 0.67 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 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 5.53 0.00 -3.99 0.52 -6.64 -1.26 -4.16 119.36 109.37 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 0.39 -0.30 -0.16 0.00 -1.44 0.00 0.00 39.64 38.14 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 -1.72 0.33 -0.20 6.28 2.20 -1.23 -3.37 119.74 122.02 1xn5 s LYS 68 Ca 0.00 -0.00 -0.09 0.00 -0.36 0.00 0.00 55.97 55.52 1xn5 s LYS 68 Cb 0.00 -0.43 0.08 0.00 -1.51 0.00 0.00 37.83 35.97 1xn5 s LYS 68 CO 0.00 -0.06 0.46 -1.17 -0.36 0.00 0.00 175.35 174.21 1xn5 s LEU 69 N 0.65 -0.47 0.01 5.43 2.96 -0.94 -2.87 118.68 123.45 1xn5 s LEU 69 Ca -0.07 1.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1xn5 s LEU 69 Cb -0.10 1.51 -0.01 0.00 0.50 0.00 0.00 46.19 48.09 1xn5 s LEU 69 CO -0.01 -0.22 0.00 -0.55 -1.32 0.00 0.00 176.35 174.26 1xn5 s SER 70 N 2.02 0.17 -0.18 3.68 0.15 0.00 0.12 113.70 119.65 1xn5 s SER 70 Ca -0.06 -0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 1xn5 s SER 70 Cb -0.10 0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.37 1xn5 s SER 70 CO -0.14 -0.26 0.51 0.72 1.20 0.00 0.00 173.24 175.27 1xn5 s PHE 71 N -1.21 -0.55 0.25 3.44 -0.71 -1.19 -2.75 117.98 115.25 1xn5 s PHE 71 Ca -0.13 1.34 -0.11 0.00 -1.04 0.00 0.00 56.93 56.99 1xn5 s PHE 71 Cb -0.08 0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.85 1xn5 s PHE 71 CO -0.00 -0.28 0.59 0.95 -1.34 0.00 0.00 175.22 175.14 1xn5 s THR 72 N 0.21 4.88 -0.07 -4.49 -4.23 -0.78 -3.72 115.64 107.43 1xn5 s THR 72 Ca -0.00 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 1xn5 s THR 72 Cb -0.04 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.23 1xn5 s THR 72 CO 0.01 -0.10 0.15 0.86 -0.54 0.00 0.00 174.62 175.01 1xn5 s TRP 73 N -1.85 -0.18 0.42 3.99 -0.00 -1.24 -3.46 118.94 116.62 1xn5 s TRP 73 Ca 0.49 0.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.08 1xn5 s TRP 73 Cb -0.11 -0.05 0.00 0.00 -0.00 0.00 0.00 33.47 33.31 1xn5 s TRP 73 CO 0.20 -0.16 0.00 -3.47 -0.00 0.00 0.00 176.95 173.53 1xn5 n ASP 74 N 4.02 -6.55 -2.74 5.86 2.03 -1.22 -4.39 116.55 113.56 1xn5 n ASP 74 Ca -0.24 0.92 -0.26 0.00 0.52 0.00 0.00 54.79 55.72 1xn5 n ASP 74 Cb 0.53 -3.72 -0.02 0.00 -0.72 0.00 0.00 41.12 37.18 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 -3.89 2.67 0.00 5.18 -2.24 -1.26 -4.69 114.28 110.05 1xn5 n THR 75 Ca -0.05 -5.24 0.00 0.00 -2.27 0.00 0.00 64.05 56.49 1xn5 n THR 75 Cb 0.53 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.34 1.55 0.00 3.42 2.03 -1.26 -5.05 116.55 116.91 1xn5 n ASP 76 Ca 0.34 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1xn5 n ASP 76 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xn5 n GLY 77 N 3.16 0.00 2.83 0.27 0.00 -1.26 -5.14 105.19 105.04 1xn5 n GLY 77 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.51 -0.02 1.61 0.51 -1.26 -4.27 118.94 117.01 1xn5 s TRP 78 Ca 0.00 -1.09 0.03 0.00 -2.12 0.00 0.00 56.10 52.92 1xn5 s TRP 78 Cb 0.00 -1.22 -0.00 0.00 -0.81 0.00 0.00 33.47 31.44 1xn5 s TRP 78 CO 0.00 -0.63 -0.11 -1.54 -0.51 0.00 0.00 176.95 174.15 1xn5 s SER 79 N 1.70 1.41 -0.03 2.95 1.04 -0.98 -3.66 113.70 116.12 1xn5 s SER 79 Ca -0.01 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1xn5 s SER 79 Cb -0.17 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1xn5 s SER 79 CO -0.07 0.10 -0.24 0.54 0.98 0.00 0.00 173.24 174.55 1xn5 s VAL 80 N 0.03 2.22 -0.03 5.02 0.11 -1.24 -1.71 120.40 124.79 1xn5 s VAL 80 Ca -0.01 -1.04 0.06 0.00 -2.93 0.00 0.00 61.98 58.07 1xn5 s VAL 80 Cb -0.08 -1.79 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 1xn5 s VAL 80 CO 0.00 0.58 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.24 1xn5 s THR 81 N -0.55 1.81 0.15 5.04 2.01 0.43 -3.18 115.64 121.34 1xn5 s THR 81 Ca 0.08 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1xn5 s THR 81 Cb -0.11 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1xn5 s THR 81 CO -0.00 0.51 0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 1xn5 s PHE 82 N -0.34 2.98 -0.16 4.92 0.08 0.32 0.32 117.98 126.11 1xn5 s PHE 82 Ca 0.03 -0.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.97 1xn5 s PHE 82 Cb -0.11 -1.47 0.08 0.00 -0.57 0.00 0.00 43.02 40.96 1xn5 s PHE 82 CO 0.01 0.51 0.25 -1.01 -0.10 0.00 0.00 175.22 174.88 1xn5 s HIS 83 N -1.62 -0.39 0.29 0.36 3.76 0.96 -2.22 115.29 116.43 1xn5 s HIS 83 Ca 0.28 0.72 0.08 0.00 -0.15 0.00 0.00 55.06 55.98 1xn5 s HIS 83 Cb -0.10 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 1xn5 s HIS 83 CO 0.20 -0.45 0.21 -0.51 -0.85 0.00 0.00 174.74 173.34 1xn5 s LEU 84 N 2.39 3.61 -0.30 0.89 1.02 -1.22 0.26 118.68 125.33 1xn5 s LEU 84 Ca 0.04 -0.44 -0.17 0.00 0.02 0.00 0.00 54.13 53.57 1xn5 s LEU 84 Cb -0.13 -2.17 0.18 0.00 0.02 0.00 0.00 46.19 44.09 1xn5 s LEU 84 CO -0.10 -0.18 1.21 -1.59 0.02 0.00 0.00 176.35 175.71 1xn5 s LYS 85 N -3.88 0.07 0.36 1.70 -2.85 -0.67 -4.24 119.74 110.21 1xn5 s LYS 85 Ca 0.36 0.13 -0.28 0.00 -1.00 0.00 0.00 55.97 55.18 1xn5 s LYS 85 Cb -0.06 0.08 -0.10 0.00 -2.06 0.00 0.00 37.83 35.68 1xn5 s LYS 85 CO 0.25 -0.06 1.38 -2.00 0.10 0.00 0.00 175.35 175.02 1xn5 s GLU 86 N 2.72 4.23 0.00 1.78 -6.30 -1.26 -0.73 118.70 119.13 1xn5 s GLU 86 Ca -0.06 2.37 0.00 0.00 -2.50 0.00 0.00 54.97 54.78 1xn5 s GLU 86 Cb -0.07 -3.01 0.00 0.00 0.00 0.00 0.00 34.13 31.05 1xn5 s GLU 86 CO -0.10 -0.35 0.00 -1.91 0.02 0.00 0.00 175.26 172.91 1xn5 n GLU 87 N 0.61 1.81 0.00 4.30 0.00 0.47 -4.84 120.64 123.00 1xn5 n GLU 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1xn5 n GLU 87 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 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 -0.40 0.00 -2.60 5.31 1.02 -1.26 -3.78 120.64 118.93 1xn5 n GLU 88 Ca 0.00 0.83 -0.17 0.00 -0.02 0.00 0.00 57.16 57.80 1xn5 n GLU 88 Cb 0.00 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 29.97 1xn5 n GLU 88 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xn5 n ASN 89 N -2.59 2.83 -3.74 1.62 2.85 -1.26 -5.07 115.26 109.91 1xn5 n ASN 89 Ca 0.00 -3.15 0.03 0.00 -0.11 0.00 0.00 54.58 51.35 1xn5 n ASN 89 Cb 0.00 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 40.52 1xn5 n ASN 89 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1xn5 s GLY 90 N -3.28 -0.32 -0.09 8.20 0.00 -1.25 -4.77 107.32 105.81 1xn5 s GLY 90 Ca 0.36 0.47 0.02 0.00 0.00 0.00 0.00 44.72 45.58 1xn5 s GLY 90 CO -0.06 3.05 -0.17 -1.59 0.00 0.00 0.00 173.10 174.33 1xn5 s THR 91 N -2.12 2.78 -0.16 0.90 2.01 -0.99 0.18 115.64 118.24 1xn5 s THR 91 Ca 0.22 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1xn5 s THR 91 Cb 0.03 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1xn5 s THR 91 CO -0.04 0.55 0.24 -0.63 -0.69 0.00 0.00 174.62 174.05 1xn5 s ILE 92 N 0.00 5.34 -0.16 1.82 -1.09 0.09 -2.90 121.20 124.30 1xn5 s ILE 92 Ca -0.05 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1xn5 s ILE 92 Cb -0.15 -3.56 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1xn5 s ILE 92 CO 0.04 0.44 -0.13 0.12 -1.23 0.00 0.00 174.94 174.18 1xn5 s PHE 93 N 0.19 2.25 -0.08 3.97 2.19 -0.89 -1.68 117.98 123.93 1xn5 s PHE 93 Ca 0.14 -1.33 0.03 0.00 0.33 0.00 0.00 56.93 56.10 1xn5 s PHE 93 Cb -0.12 -1.61 -0.02 0.00 -1.31 0.00 0.00 43.02 39.96 1xn5 s PHE 93 CO 0.03 -0.69 -0.17 0.99 1.83 0.00 0.00 175.22 177.20 1xn5 s THR 94 N 1.46 2.77 0.10 0.12 2.01 0.14 -1.24 115.64 121.00 1xn5 s THR 94 Ca 0.03 -0.80 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1xn5 s THR 94 Cb -0.14 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1xn5 s THR 94 CO -0.10 0.56 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.72 1xn5 s ILE 95 N -0.21 2.95 -0.13 1.82 -1.16 0.74 -0.03 121.20 125.19 1xn5 s ILE 95 Ca -0.00 -1.38 -0.04 0.00 -0.51 0.00 0.00 60.65 58.72 1xn5 s ILE 95 Cb -0.13 -2.34 0.06 0.00 0.61 0.00 0.00 42.46 40.66 1xn5 s ILE 95 CO 0.03 0.15 0.13 -0.69 -2.81 0.00 0.00 174.94 171.76 1xn5 s VAL 96 N -1.11 -0.20 -0.20 4.00 1.01 0.15 -0.99 120.40 123.06 1xn5 s VAL 96 Ca 0.18 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1xn5 s VAL 96 Cb -0.11 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1xn5 s VAL 96 CO 0.10 -0.06 -0.16 -2.28 0.00 0.00 0.00 175.10 172.70 1xn5 s HIS 97 N 2.23 2.89 0.16 5.22 5.04 -0.40 0.16 115.29 130.60 1xn5 s HIS 97 Ca 0.04 -1.66 0.08 0.00 -1.54 0.00 0.00 55.06 51.98 1xn5 s HIS 97 Cb -0.14 -1.95 -0.04 0.00 0.04 0.00 0.00 32.58 30.48 1xn5 s HIS 97 CO -0.08 -0.78 -0.18 -1.12 -2.34 0.00 0.00 174.74 170.24 1xn5 s SER 98 N 1.29 2.60 0.00 9.88 0.01 -0.70 0.12 113.70 126.90 1xn5 s SER 98 Ca 0.03 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1xn5 s SER 98 Cb -0.14 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1xn5 s SER 98 CO -0.10 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1xn5 n GLY 99 N 0.30 0.58 3.56 3.44 0.00 -1.26 -2.31 105.19 109.50 1xn5 n GLY 99 Ca -0.13 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 1.92 0.00 1.61 0.52 -1.26 -4.67 118.94 117.05 1xn5 s TRP 100 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 56.10 55.05 1xn5 s TRP 100 Cb 0.00 -1.35 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 1xn5 s TRP 100 CO 0.00 -0.03 0.00 1.63 0.02 0.00 0.00 176.95 178.57 1xn5 n LYS 101 N -0.94 3.16 -1.37 4.98 5.02 -1.26 -4.91 118.16 122.83 1xn5 n LYS 101 Ca -0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 1xn5 n LYS 101 Cb 0.66 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.76 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xn5 n GLN 102 N -0.08 0.54 -0.82 1.97 1.13 -1.26 -2.89 117.38 115.97 1xn5 n GLN 102 Ca 0.00 0.24 -0.10 0.00 -1.94 0.00 0.00 57.00 55.20 1xn5 n GLN 102 Cb 0.00 -2.26 -0.03 0.00 0.11 0.00 0.00 30.24 28.06 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xn5 n GLY 103 N 1.05 3.26 1.22 1.08 0.00 -1.26 -3.22 105.19 107.31 1xn5 n GLY 103 Ca 0.13 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 1.31 -0.17 -4.01 1.61 2.03 -1.26 -4.94 116.55 111.11 1xn5 n ASP 104 Ca 0.22 -0.80 -0.26 0.00 0.52 0.00 0.00 54.79 54.48 1xn5 n ASP 104 Cb 0.61 0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 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 -0.12 0.00 -4.26 5.18 5.66 -1.20 -5.10 114.28 114.45 1xn5 n THR 105 Ca -0.03 -2.19 -0.19 0.00 -3.05 0.00 0.00 64.05 58.59 1xn5 n THR 105 Cb 0.45 0.64 -0.11 0.00 -1.55 0.00 0.00 70.33 69.76 1xn5 n THR 105 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1xn5 s LYS 106 N -3.54 1.07 -0.48 1.09 2.20 -1.26 -2.87 119.74 115.96 1xn5 s LYS 106 Ca 0.11 -1.27 -0.14 0.00 -0.36 0.00 0.00 55.97 54.31 1xn5 s LYS 106 Cb 0.01 -1.00 0.09 0.00 -1.51 0.00 0.00 37.83 35.41 1xn5 s LYS 106 CO 0.08 0.20 0.39 0.08 -0.36 0.00 0.00 175.35 175.73 1xn5 s VAL 107 N -2.09 5.01 0.59 4.02 1.01 -1.20 -4.80 120.40 122.94 1xn5 s VAL 107 Ca 0.10 -1.23 0.29 0.00 0.00 0.00 0.00 61.98 61.14 1xn5 s VAL 107 Cb -0.05 -4.06 0.40 0.00 0.00 0.00 0.00 36.38 32.67 1xn5 s VAL 107 CO 0.04 -0.63 1.82 -0.08 0.00 0.00 0.00 175.10 176.25 1xn5 h GLU 108 N 8.71 0.00 -1.02 2.72 4.57 -1.98 1.19 114.58 128.76 1xn5 h GLU 108 Ca -0.27 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.56 1xn5 h GLU 108 Cb 1.10 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.49 1xn5 h GLU 108 CO 0.89 0.00 0.44 1.17 -1.18 0.00 0.00 179.01 180.32 1xn5 n LYS 109 N -3.72 1.83 -3.18 1.92 4.81 -1.26 -4.70 118.16 113.87 1xn5 n LYS 109 Ca 0.12 -1.97 0.05 0.00 -0.87 0.00 0.00 58.31 55.64 1xn5 n LYS 109 Cb 0.83 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 34.08 1xn5 n LYS 109 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 s ALA 110 N -2.17 -3.51 0.60 3.14 0.00 0.41 -5.00 121.76 115.22 1xn5 s ALA 110 Ca 0.37 1.52 0.28 0.00 0.00 0.00 0.00 51.96 54.13 1xn5 s ALA 110 Cb 0.31 -2.46 1.23 0.00 0.00 0.00 0.00 23.12 22.21 1xn5 s ALA 110 CO 0.07 -1.31 1.62 0.78 0.00 0.00 0.00 175.76 176.92 1xn5 h GLY 111 N 7.71 0.00 -1.08 0.00 0.00 -1.84 -3.36 103.07 104.50 1xn5 h GLY 111 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.75 1xn5 h GLY 111 CO -0.09 0.00 0.25 0.00 0.00 0.00 0.00 176.54 176.70 1xn5 s ALA 112 N -4.53 3.07 0.44 3.60 0.00 -1.26 -4.95 121.76 118.13 1xn5 s ALA 112 Ca -0.03 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1xn5 s ALA 112 Cb 0.15 -2.58 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1xn5 s ALA 112 CO 0.51 -1.48 0.61 -1.21 0.00 0.00 0.00 175.76 174.19 1xn5 s GLU 113 N -5.33 2.84 0.04 0.00 2.02 -1.26 -3.25 118.70 113.76 1xn5 s GLU 113 Ca 0.63 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 1xn5 s GLU 113 Cb -0.09 -2.69 -0.14 0.00 0.10 0.00 0.00 34.13 31.31 1xn5 s GLU 113 CO 0.46 -0.31 1.39 0.77 0.02 0.00 0.00 175.26 177.59 1xn5 h SER 114 N 0.53 0.30 -0.69 -0.19 0.02 -1.84 0.29 113.55 111.98 1xn5 h SER 114 Ca -0.42 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.10 1xn5 h SER 114 Cb 1.28 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1xn5 h SER 114 CO 0.50 0.66 0.43 0.00 -1.14 0.00 0.00 176.83 177.27 1xn5 h ALA 115 N 0.65 1.45 0.20 3.77 0.00 -1.83 1.40 119.26 124.90 1xn5 h ALA 115 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xn5 h ALA 115 Cb 0.55 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xn5 h ALA 115 CO 0.02 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 179.94 1xn5 h VAL 116 N 0.95 0.85 -0.35 0.00 2.07 -1.87 -0.75 116.25 117.14 1xn5 h VAL 116 Ca 0.25 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1xn5 h VAL 116 Cb -0.06 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1xn5 h VAL 116 CO -0.05 0.19 0.17 0.58 0.02 0.00 0.00 177.57 178.48 1xn5 h VAL 117 N -0.77 1.12 0.20 2.57 2.07 -0.10 0.84 116.25 122.18 1xn5 h VAL 117 Ca -0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1xn5 h VAL 117 Cb 0.51 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1xn5 h VAL 117 CO 0.05 0.14 -0.10 -0.74 0.02 0.00 0.00 177.57 176.94 1xn5 h HIS 118 N 0.49 -0.25 -0.92 1.57 6.17 0.20 0.47 115.15 122.88 1xn5 h HIS 118 Ca 0.13 -0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.20 1xn5 h HIS 118 Cb 0.05 0.08 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 1xn5 h HIS 118 CO 0.00 -0.02 0.56 0.93 0.71 0.00 0.00 177.93 180.12 1xn5 h GLU 119 N -0.45 1.23 0.57 5.26 5.08 -0.62 1.42 114.58 127.08 1xn5 h GLU 119 Ca -0.03 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1xn5 h GLU 119 Cb 0.34 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xn5 h GLU 119 CO 0.04 0.85 -0.28 0.00 -1.00 0.00 0.00 179.01 178.63 1xn5 h ARG 120 N 1.26 -0.74 -0.30 2.33 3.08 -0.66 -0.34 114.38 119.02 1xn5 h ARG 120 Ca 0.33 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1xn5 h ARG 120 Cb -0.07 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1xn5 h ARG 120 CO -0.06 -0.43 0.12 0.52 -1.07 0.00 0.00 179.97 179.04 1xn5 h MET 121 N -1.00 0.44 -0.33 0.04 2.86 0.08 -1.61 114.93 115.42 1xn5 h MET 121 Ca -0.08 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.55 1xn5 h MET 121 Cb 0.65 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1xn5 h MET 121 CO 0.13 0.46 -0.13 0.22 1.06 0.00 0.00 176.91 178.64 1xn5 h ASP 122 N 0.33 -0.46 0.40 1.22 1.82 0.19 1.40 116.42 121.32 1xn5 h ASP 122 Ca 0.10 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1xn5 h ASP 122 Cb 0.18 0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1xn5 h ASP 122 CO -0.01 -0.17 -0.42 0.03 -1.61 0.00 0.00 179.24 177.06 1xn5 h ARG 123 N -0.08 -0.81 -0.40 0.28 3.08 -0.86 -0.79 114.38 114.81 1xn5 h ARG 123 Ca 0.16 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.30 1xn5 h ARG 123 Cb 0.33 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1xn5 h ARG 123 CO -0.38 -0.54 0.27 0.78 -1.07 0.00 0.00 179.97 179.03 1xn5 h GLY 124 N -0.84 0.48 0.78 0.04 0.00 -0.74 0.98 103.07 103.76 1xn5 h GLY 124 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1xn5 h GLY 124 CO -0.08 0.15 -0.18 1.49 0.00 0.00 0.00 176.54 177.92 1xn5 h TRP 125 N 0.43 -0.47 0.15 5.60 -0.00 0.27 1.42 115.95 123.35 1xn5 h TRP 125 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.05 1xn5 h TRP 125 Cb 0.12 0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1xn5 h TRP 125 CO -0.00 -0.27 -0.07 1.25 -0.00 0.00 0.00 178.44 179.35 1xn5 h HIS 126 N -0.39 -0.19 -0.73 0.49 2.76 -0.38 0.92 115.15 117.63 1xn5 h HIS 126 Ca 0.00 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1xn5 h HIS 126 Cb 0.37 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.31 1xn5 h HIS 126 CO -0.14 0.01 0.34 0.22 -1.30 0.00 0.00 177.93 177.05 1xn5 h ASP 127 N -0.35 0.39 0.09 3.26 1.82 -0.59 0.44 116.42 121.48 1xn5 h ASP 127 Ca -0.02 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1xn5 h ASP 127 Cb 0.28 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1xn5 h ASP 127 CO 0.03 0.20 -0.04 0.25 -1.61 0.00 0.00 179.24 178.07 1xn5 h LEU 128 N 0.54 -0.10 -3.45 2.28 5.85 0.22 -1.92 115.31 118.74 1xn5 h LEU 128 Ca 0.38 -0.03 -0.37 0.00 0.84 0.00 0.00 57.88 58.70 1xn5 h LEU 128 Cb 0.47 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 41.36 1xn5 h LEU 128 CO -0.32 -0.04 0.47 0.55 -0.34 0.00 0.00 178.44 178.76 1xn5 n VAL 129 N -5.12 2.74 0.04 1.05 3.14 0.29 -1.17 118.33 119.30 1xn5 n VAL 129 Ca -0.08 -1.66 0.00 0.00 -2.96 0.00 0.00 64.34 59.64 1xn5 n VAL 129 Cb 0.09 -1.11 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 -0.08 0.66 0.03 6.55 5.03 0.14 -4.68 115.26 122.90 1xn5 n ASN 130 Ca 0.36 0.11 -0.01 0.00 0.87 0.00 0.00 54.58 55.91 1xn5 n ASN 130 Cb 0.78 -0.18 -0.00 0.00 -1.02 0.00 0.00 39.78 39.36 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 -3.31 0.04 -0.37 3.52 -0.58 -1.00 -4.27 120.64 114.66 1xn5 n GLU 131 Ca 0.00 0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 1xn5 n GLU 131 Cb 0.16 -0.56 -0.02 0.00 -0.57 0.00 0.00 31.44 30.45 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 -3.45 -0.30 -0.04 3.49 5.12 -1.22 0.19 116.66 120.46 1xn5 n ARG 132 Ca -0.02 1.40 -0.05 0.00 -1.93 0.00 0.00 57.85 57.25 1xn5 n ARG 132 Cb 0.16 -2.07 0.15 0.00 -1.16 0.00 0.00 32.46 29.54 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 0.64 -1.03 0.55 5.85 -1.43 -2.62 115.31 117.27 1xn5 h LEU 133 Ca 0.25 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1xn5 h LEU 133 Cb 0.47 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1xn5 h LEU 133 CO -0.89 0.84 0.59 -0.09 -0.34 0.00 0.00 178.44 178.55 1xn5 h ARG 134 N 0.57 1.25 -0.50 1.25 2.43 0.19 -1.56 114.38 118.01 1xn5 h ARG 134 Ca 0.09 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1xn5 h ARG 134 Cb 0.65 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1xn5 h ARG 134 CO 0.05 0.85 0.21 1.96 -1.51 0.00 0.00 179.97 181.52 1xn5 h GLN 135 N 1.28 0.71 -0.35 0.20 1.08 0.24 1.48 115.11 119.75 1xn5 h GLN 135 Ca 0.34 -0.10 0.10 0.00 -1.45 0.00 0.00 58.65 57.54 1xn5 h GLN 135 Cb -0.10 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 1xn5 h GLN 135 CO -0.07 0.58 0.46 0.82 -0.95 0.00 0.00 178.83 179.67 1xn5 h ILE 136 N 0.71 0.29 0.00 2.54 1.08 -1.10 -1.35 117.51 119.68 1xn5 h ILE 136 Ca 0.17 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.50 1xn5 h ILE 136 Cb 0.13 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 1xn5 h ILE 136 CO -0.02 0.00 -1.55 1.33 -0.69 0.00 0.00 178.15 177.23 1xn5 n VAL 137 N -3.54 0.55 1.55 1.67 0.24 -0.32 -5.02 118.33 113.46 1xn5 n VAL 137 Ca 0.06 -0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.21 1xn5 n VAL 137 Cb 0.61 -0.81 0.57 0.00 -1.47 0.00 0.00 33.84 32.74 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07