#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 -1.23 1.12 5.66 -1.26 -5.17 114.28 113.40 1xn5 n THR 2 Ca 0.00 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.17 1xn5 n THR 2 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xn5 n ARG 3 N 0.00 -2.53 -1.18 1.09 1.74 -1.26 -4.80 116.66 109.72 1xn5 n ARG 3 Ca 0.00 1.73 -0.35 0.00 -0.77 0.00 0.00 57.85 58.46 1xn5 n ARG 3 Cb 0.00 -3.07 0.09 0.00 -1.02 0.00 0.00 32.46 28.46 1xn5 n ARG 3 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xn5 n LEU 4 N -3.84 1.64 -4.81 0.55 4.77 -1.24 -4.84 117.00 109.24 1xn5 n LEU 4 Ca -0.00 0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 56.21 1xn5 n LEU 4 Cb 0.57 -1.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 1xn5 n LEU 4 CO 0.01 -2.81 0.71 -2.16 -1.33 0.00 0.00 177.39 171.82 1xn5 s PRO 5 N -3.19 3.39 0.25 3.23 0.04 -1.26 -4.95 135.00 132.50 1xn5 s PRO 5 Ca 0.67 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1xn5 s PRO 5 Cb -0.32 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1xn5 s PRO 5 CO 0.57 -0.75 1.33 0.16 0.04 0.00 0.00 177.00 178.35 1xn5 s ASP 6 N -2.85 6.83 -1.37 6.66 -4.77 -1.26 -4.88 116.67 115.03 1xn5 s ASP 6 Ca 0.63 2.52 -0.14 0.00 -3.30 0.00 0.00 52.55 52.26 1xn5 s ASP 6 Cb -0.15 -2.62 -0.02 0.00 -1.09 0.00 0.00 42.92 39.03 1xn5 s ASP 6 CO 0.37 -0.55 2.33 -0.38 0.70 0.00 0.00 175.17 177.65 1xn5 n ILE 7 N 2.03 3.34 -2.90 2.11 5.41 0.86 -4.90 119.36 125.31 1xn5 n ILE 7 Ca 0.04 -2.63 -0.42 0.00 1.00 0.00 0.00 62.75 60.75 1xn5 n ILE 7 Cb 0.42 -2.54 -0.04 0.00 -0.71 0.00 0.00 39.64 36.76 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 3.26 4.21 0.25 0.38 2.20 -1.26 -2.79 119.74 125.99 1xn5 s LYS 8 Ca 0.53 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 57.14 1xn5 s LYS 8 Cb 0.15 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1xn5 s LYS 8 CO -0.05 -0.46 -0.03 0.15 -0.36 0.00 0.00 175.35 174.60 1xn5 s LYS 9 N 2.64 1.42 -0.16 4.03 3.01 0.59 -4.97 119.74 126.29 1xn5 s LYS 9 Ca 0.35 -1.72 -0.17 0.00 -1.01 0.00 0.00 55.97 53.43 1xn5 s LYS 9 Cb -0.16 -0.85 0.04 0.00 -1.01 0.00 0.00 37.83 35.86 1xn5 s LYS 9 CO 0.09 -0.04 0.47 -2.00 0.51 0.00 0.00 175.35 174.38 1xn5 s GLU 10 N -3.80 0.56 0.08 1.68 -6.30 -1.26 -0.10 118.70 109.57 1xn5 s GLU 10 Ca 0.28 0.60 0.00 0.00 -2.50 0.00 0.00 54.97 53.36 1xn5 s GLU 10 Cb 0.05 0.27 -0.04 0.00 0.00 0.00 0.00 34.13 34.41 1xn5 s GLU 10 CO 0.10 -0.08 -0.04 0.14 0.02 0.00 0.00 175.26 175.40 1xn5 s VAL 11 N 0.13 0.42 -0.06 3.70 -7.23 0.21 -4.99 120.40 112.59 1xn5 s VAL 11 Ca -0.01 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 1xn5 s VAL 11 Cb -0.03 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1xn5 s VAL 11 CO 0.01 -0.89 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.17 1xn5 s ARG 12 N -3.89 1.72 0.05 4.82 3.52 -1.26 -1.05 118.95 122.84 1xn5 s ARG 12 Ca 0.11 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1xn5 s ARG 12 Cb 0.07 -1.44 -0.02 0.00 -1.56 0.00 0.00 34.95 32.00 1xn5 s ARG 12 CO -0.07 0.09 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.38 1xn5 s PHE 13 N 0.46 0.71 -0.62 5.12 0.08 -1.11 -5.05 117.98 117.57 1xn5 s PHE 13 Ca -0.11 -0.51 -0.21 0.00 0.12 0.00 0.00 56.93 56.22 1xn5 s PHE 13 Cb -0.14 -0.42 0.08 0.00 -0.57 0.00 0.00 43.02 41.97 1xn5 s PHE 13 CO 0.03 -0.08 0.84 -0.80 -0.10 0.00 0.00 175.22 175.11 1xn5 s ASN 14 N -1.64 6.19 -0.20 1.36 -0.87 -1.26 -2.31 114.94 116.21 1xn5 s ASN 14 Ca -0.09 -1.13 -0.36 0.00 -1.57 0.00 0.00 52.86 49.71 1xn5 s ASN 14 Cb -0.10 -2.36 0.15 0.00 -0.02 0.00 0.00 41.25 38.92 1xn5 s ASN 14 CO 0.00 -1.26 1.31 0.00 -2.57 0.00 0.00 177.10 174.58 1xn5 s ALA 15 N 3.41 -2.18 -0.02 0.60 0.00 -1.26 -4.88 121.76 117.42 1xn5 s ALA 15 Ca 0.18 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1xn5 s ALA 15 Cb -0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1xn5 s ALA 15 CO 0.09 -0.66 1.20 -1.25 0.00 0.00 0.00 175.76 175.14 1xn5 s PRO 16 N -2.23 4.37 0.54 0.00 0.04 -1.26 -3.56 135.00 132.89 1xn5 s PRO 16 Ca 0.11 1.70 0.33 0.00 0.04 0.00 0.00 61.00 63.19 1xn5 s PRO 16 Cb 0.00 -3.51 1.51 0.00 0.04 0.00 0.00 34.50 32.54 1xn5 s PRO 16 CO -0.04 -0.40 1.86 0.97 0.04 0.00 0.00 177.00 179.43 1xn5 h ILE 17 N 4.89 0.50 0.00 0.56 2.10 -1.98 1.32 117.51 124.90 1xn5 h ILE 17 Ca -0.36 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 1xn5 h ILE 17 Cb 1.18 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 1xn5 h ILE 17 CO 0.86 0.00 -0.06 -0.08 -1.08 0.00 0.00 178.15 177.79 1xn5 h GLU 18 N 0.00 0.00 0.00 2.19 4.81 -1.98 1.39 114.58 120.99 1xn5 h GLU 18 Ca 0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1xn5 h GLU 18 Cb 1.90 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.28 1xn5 h GLU 18 CO -0.00 0.06 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.83 1xn5 h LYS 19 N 0.00 0.00 -0.93 1.92 3.64 0.13 -3.01 116.57 118.32 1xn5 h LYS 19 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1xn5 h LYS 19 Cb 0.12 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1xn5 h LYS 19 CO 0.01 0.34 0.60 0.28 -2.27 0.00 0.00 179.45 178.41 1xn5 h VAL 20 N -1.00 1.11 -0.26 2.00 2.07 -1.24 0.41 116.25 119.33 1xn5 h VAL 20 Ca -0.05 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1xn5 h VAL 20 Cb 0.51 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1xn5 h VAL 20 CO -0.03 0.20 0.07 -0.25 0.02 0.00 0.00 177.57 177.59 1xn5 h TRP 21 N 1.10 0.13 0.00 1.57 -0.00 0.17 0.46 115.95 119.38 1xn5 h TRP 21 Ca 0.39 0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.24 1xn5 h TRP 21 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 1xn5 h TRP 21 CO -0.00 0.05 -0.22 0.93 -0.00 0.00 0.00 178.44 179.20 1xn5 h GLU 22 N 0.18 0.00 0.00 2.65 5.08 -1.05 0.32 114.58 121.76 1xn5 h GLU 22 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 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 -0.14 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1xn5 n ALA 23 N -2.27 2.09 -0.07 3.43 0.00 0.13 -1.15 120.51 122.67 1xn5 n ALA 23 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xn5 n ALA 23 Cb 0.38 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xn5 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xn5 n VAL 24 N -1.62 0.00 -0.09 0.00 0.24 -0.21 -2.85 118.33 113.80 1xn5 n VAL 24 Ca 0.06 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.79 1xn5 n VAL 24 Cb 0.29 1.07 -0.13 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.06 1.21 -4.69 -1.34 3.41 1.00 -4.96 113.62 108.18 1xn5 n SER 25 Ca 0.00 -0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.33 1xn5 n SER 25 Cb 0.02 0.57 0.10 0.00 -0.26 0.00 0.00 64.21 64.64 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 -2.42 2.22 -0.22 6.66 -4.23 -0.30 -3.32 115.64 114.02 1xn5 s THR 26 Ca -0.14 -0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 59.79 1xn5 s THR 26 Cb 0.06 -2.82 -0.16 0.00 1.34 0.00 0.00 72.50 70.92 1xn5 s THR 26 CO 0.65 0.00 0.01 -1.20 -0.54 0.00 0.00 174.62 173.54 1xn5 n SER 27 N -2.97 1.88 -0.33 3.99 7.64 -1.26 -3.30 113.62 119.28 1xn5 n SER 27 Ca 0.12 0.41 0.02 0.00 1.01 0.00 0.00 58.87 60.44 1xn5 n SER 27 Cb 0.60 -0.91 0.20 0.00 -1.01 0.00 0.00 64.21 63.09 1xn5 n SER 27 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1xn5 h GLU 28 N -1.00 1.09 -0.17 1.43 4.22 -1.93 0.65 114.58 118.87 1xn5 h GLU 28 Ca -0.41 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 58.84 1xn5 h GLU 28 Cb 1.32 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1xn5 h GLU 28 CO -0.25 0.72 -0.42 0.78 -2.18 0.00 0.00 179.01 177.66 1xn5 h GLY 29 N 1.12 0.44 0.26 1.92 0.00 -1.82 -1.53 103.07 103.46 1xn5 h GLY 29 Ca 0.39 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1xn5 h GLY 29 CO -0.14 0.39 -0.11 1.41 0.00 0.00 0.00 176.54 178.10 1xn5 h LEU 30 N 0.33 -0.26 -1.98 3.11 3.38 -1.04 -3.14 115.31 115.71 1xn5 h LEU 30 Ca 0.03 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1xn5 h LEU 30 Cb 0.88 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xn5 h LEU 30 CO 0.07 0.24 0.35 0.00 0.09 0.00 0.00 178.44 179.19 1xn5 h ALA 31 N -0.90 1.42 0.00 1.53 0.00 0.33 1.68 119.26 123.33 1xn5 h ALA 31 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xn5 h ALA 31 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xn5 h ALA 31 CO 0.05 -0.37 0.00 0.35 0.00 0.00 0.00 179.25 179.28 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.21 -3.34 116.94 115.42 1xn5 h PHE 32 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xn5 h PHE 32 Cb 0.72 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.23 1xn5 h PHE 32 CO 0.00 0.00 -0.04 -2.67 -2.02 0.00 0.00 178.31 173.58 1xn5 n TRP 33 N -3.08 0.00 0.00 0.41 4.27 0.16 -4.98 117.44 114.22 1xn5 n TRP 33 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1xn5 n TRP 33 Cb 0.08 0.45 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 1xn5 n TRP 33 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1xn5 n PHE 34 N -2.46 0.00 -3.53 -2.67 7.35 0.52 -5.00 117.46 111.67 1xn5 n PHE 34 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1xn5 n PHE 34 Cb 0.02 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.83 1xn5 n PHE 34 CO 0.00 0.00 0.00 -1.64 -0.76 0.00 0.00 176.76 174.36 1xn5 s MET 35 N 0.00 0.85 0.33 -4.13 -1.94 -1.24 -4.89 119.30 108.28 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 0.38 -0.11 0.00 2.01 0.00 0.00 34.83 37.10 1xn5 s MET 35 CO 0.00 -0.37 1.54 0.39 -0.01 0.00 0.00 175.02 176.56 1xn5 n GLU 36 N -0.27 2.67 -3.19 2.03 1.02 -1.26 -3.06 120.64 118.59 1xn5 n GLU 36 Ca -0.08 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1xn5 n GLU 36 Cb 0.62 -2.70 0.00 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 1.31 0.00 -2.56 1.62 2.04 -1.26 -1.87 115.26 114.54 1xn5 n ASN 37 Ca 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.10 1xn5 n ASN 37 Cb 0.38 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.66 1xn5 n ASN 37 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1xn5 n ASP 38 N 0.56 2.73 -4.59 0.53 8.00 -1.24 -4.67 116.55 117.86 1xn5 n ASP 38 Ca 0.00 -2.65 -0.38 0.00 0.71 0.00 0.00 54.79 52.47 1xn5 n ASP 38 Cb 0.00 -0.44 0.04 0.00 -0.02 0.00 0.00 41.12 40.71 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xn5 n LEU 39 N -0.61 2.99 -3.79 0.64 0.00 -1.26 -4.81 117.00 110.16 1xn5 n LEU 39 Ca 0.20 0.83 -0.22 0.00 0.00 0.00 0.00 56.01 56.82 1xn5 n LEU 39 Cb 0.85 -1.35 -0.17 0.00 0.00 0.00 0.00 43.42 42.75 1xn5 n LEU 39 CO 0.19 -2.00 -0.39 -0.75 0.00 0.00 0.00 177.39 174.45 1xn5 s LYS 40 N -2.51 0.63 -1.08 1.96 2.47 -1.26 -4.04 119.74 115.92 1xn5 s LYS 40 Ca 0.72 0.07 -0.26 0.00 -1.56 0.00 0.00 55.97 54.95 1xn5 s LYS 40 Cb -0.45 -0.93 -0.19 0.00 -1.46 0.00 0.00 37.83 34.80 1xn5 s LYS 40 CO 0.50 -0.26 2.11 0.00 0.16 0.00 0.00 175.35 177.85 1xn5 s ALA 41 N 1.77 0.71 -0.30 3.13 0.00 -1.21 -4.70 121.76 121.16 1xn5 s ALA 41 Ca 0.02 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 1xn5 s ALA 41 Cb -0.13 -4.69 0.18 0.00 0.00 0.00 0.00 23.12 18.48 1xn5 s ALA 41 CO -0.04 -6.56 0.66 -2.00 0.00 0.00 0.00 175.76 167.82 1xn5 s GLU 42 N 8.15 0.53 0.22 0.00 2.12 -1.26 -4.98 118.70 123.47 1xn5 s GLU 42 Ca 0.80 1.02 -0.31 0.00 0.36 0.00 0.00 54.97 56.84 1xn5 s GLU 42 Cb -0.05 0.58 -0.15 0.00 0.26 0.00 0.00 34.13 34.77 1xn5 s GLU 42 CO 0.16 -0.49 1.16 -2.37 -0.54 0.00 0.00 175.26 173.19 1xn5 n THR 43 N 5.42 1.24 -2.42 -1.70 5.66 -1.26 -1.43 114.28 119.80 1xn5 n THR 43 Ca -0.04 -0.31 -0.09 0.00 -3.05 0.00 0.00 64.05 60.56 1xn5 n THR 43 Cb 0.51 -1.01 0.01 0.00 -1.55 0.00 0.00 70.33 68.28 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 1.79 0.12 3.98 1.09 0.00 -0.68 -5.03 105.19 106.47 1xn5 n GLY 44 Ca 0.13 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.66 3.00 -0.01 1.61 5.04 -0.51 -4.94 115.29 116.82 1xn5 s HIS 45 Ca 0.08 -0.12 0.03 0.00 -1.54 0.00 0.00 55.06 53.50 1xn5 s HIS 45 Cb -0.03 -2.33 -0.00 0.00 0.04 0.00 0.00 32.58 30.25 1xn5 s HIS 45 CO 0.10 -0.39 -0.08 -3.38 -2.34 0.00 0.00 174.74 168.65 1xn5 s HIS 46 N -2.43 0.80 0.03 3.88 -3.43 -1.26 -2.96 115.29 109.92 1xn5 s HIS 46 Ca 0.51 -0.16 -0.28 0.00 -0.80 0.00 0.00 55.06 54.33 1xn5 s HIS 46 Cb -0.10 -0.54 0.07 0.00 -1.43 0.00 0.00 32.58 30.58 1xn5 s HIS 46 CO 0.35 -0.04 0.64 -0.59 -2.00 0.00 0.00 174.74 173.10 1xn5 s PHE 47 N -0.08 -0.61 0.53 0.38 -0.71 -0.79 -4.86 117.98 111.84 1xn5 s PHE 47 Ca 0.01 0.81 -0.06 0.00 -1.04 0.00 0.00 56.93 56.66 1xn5 s PHE 47 Cb -0.05 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.20 1xn5 s PHE 47 CO -0.00 -0.70 0.84 -1.01 -1.34 0.00 0.00 175.22 173.01 1xn5 s HIS 48 N -2.16 3.44 0.01 3.49 3.76 -1.26 0.18 115.29 122.74 1xn5 s HIS 48 Ca -0.06 0.75 0.03 0.00 -0.15 0.00 0.00 55.06 55.63 1xn5 s HIS 48 Cb -0.00 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 1xn5 s HIS 48 CO 0.01 -0.51 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.11 1xn5 s LEU 49 N -4.86 2.08 -0.96 0.89 2.96 0.19 -3.73 118.68 115.25 1xn5 s LEU 49 Ca 0.50 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1xn5 s LEU 49 Cb -0.10 -0.48 0.26 0.00 0.50 0.00 0.00 46.19 46.37 1xn5 s LEU 49 CO 0.45 0.06 1.04 0.00 -1.32 0.00 0.00 176.35 176.58 1xn5 n GLN 50 N 2.46 3.30 -2.27 1.98 1.13 -0.78 -1.59 117.38 121.61 1xn5 n GLN 50 Ca -0.16 -4.52 -0.28 0.00 -1.94 0.00 0.00 57.00 50.10 1xn5 n GLN 50 Cb 0.56 -2.45 0.03 0.00 0.11 0.00 0.00 30.24 28.49 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 -0.56 5.68 0.00 1.08 1.04 -1.24 -4.54 113.70 115.16 1xn5 s SER 51 Ca 0.31 0.88 0.22 0.00 0.48 0.00 0.00 55.95 57.84 1xn5 s SER 51 Cb -0.02 -1.87 1.00 0.00 0.10 0.00 0.00 66.02 65.23 1xn5 s SER 51 CO -0.04 -1.06 1.71 -0.81 0.98 0.00 0.00 173.24 174.02 1xn5 n PRO 52 N -2.66 0.10 -1.48 4.02 -0.04 -1.26 -2.88 135.00 130.80 1xn5 n PRO 52 Ca 0.05 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 1xn5 n PRO 52 Cb 0.57 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.43 2.38 0.00 0.54 3.01 -1.26 -5.05 117.46 115.65 1xn5 n PHE 53 Ca 0.07 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.28 1xn5 n PHE 53 Cb 0.23 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xn5 n GLY 54 N -0.89 0.69 3.73 1.37 0.00 -1.14 -4.97 105.19 103.97 1xn5 n GLY 54 Ca 0.46 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.91 4.52 0.02 1.61 0.04 -1.26 -3.66 135.00 132.36 1xn5 s PRO 55 Ca 0.00 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1xn5 s PRO 55 Cb 0.00 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1xn5 s PRO 55 CO 0.00 -0.07 -0.04 -1.12 0.04 0.00 0.00 177.00 175.81 1xn5 s SER 56 N 0.41 0.39 0.53 6.66 0.01 -0.62 -4.93 113.70 116.16 1xn5 s SER 56 Ca 0.53 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 57.19 1xn5 s SER 56 Cb -0.29 0.06 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1xn5 s SER 56 CO 0.33 -0.21 1.04 -2.16 0.41 0.00 0.00 173.24 172.64 1xn5 s PRO 57 N -1.22 3.60 0.28 12.44 0.04 -1.26 0.54 135.00 149.42 1xn5 s PRO 57 Ca -0.11 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1xn5 s PRO 57 Cb -0.08 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1xn5 s PRO 57 CO -0.00 -0.58 0.09 0.00 0.04 0.00 0.00 177.00 176.55 1xn5 s GLN 59 N -3.98 0.49 -0.13 0.00 0.74 -1.25 -1.88 119.66 113.64 1xn5 s GLN 59 Ca 0.37 0.53 -0.23 0.00 0.05 0.00 0.00 55.36 56.09 1xn5 s GLN 59 Cb 0.08 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 34.40 1xn5 s GLN 59 CO 0.14 -0.07 0.69 0.08 -0.55 0.00 0.00 175.29 175.59 1xn5 s VAL 60 N 0.14 5.01 -0.06 1.34 1.01 -1.16 -1.33 120.40 125.35 1xn5 s VAL 60 Ca -0.01 1.37 -0.07 0.00 0.00 0.00 0.00 61.98 63.27 1xn5 s VAL 60 Cb -0.03 -4.02 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 1xn5 s VAL 60 CO 0.01 0.16 0.59 0.71 0.00 0.00 0.00 175.10 176.57 1xn5 h THR 61 N 4.99 0.85 -2.62 3.92 1.35 -1.91 -1.81 112.91 117.68 1xn5 h THR 61 Ca -0.35 -2.50 -0.11 0.00 -0.55 0.00 0.00 66.41 62.90 1xn5 h THR 61 Cb 1.16 2.66 -0.26 0.00 -1.73 0.00 0.00 68.15 69.99 1xn5 h THR 61 CO 0.78 0.85 -0.28 -1.81 -0.25 0.00 0.00 175.52 174.81 1xn5 s ASP 62 N -7.12 -0.53 -0.29 5.36 1.01 -1.25 -4.62 116.67 109.24 1xn5 s ASP 62 Ca -0.17 0.91 0.00 0.00 0.71 0.00 0.00 52.55 54.01 1xn5 s ASP 62 Cb 0.06 0.80 0.18 0.00 1.01 0.00 0.00 42.92 44.97 1xn5 s ASP 62 CO 0.83 -0.19 0.54 0.54 0.21 0.00 0.00 175.17 177.10 1xn5 s VAL 63 N 1.31 -0.90 -0.28 -1.27 0.11 -1.26 -0.47 120.40 117.64 1xn5 s VAL 63 Ca -0.09 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1xn5 s VAL 63 Cb -0.08 -0.97 0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1xn5 s VAL 63 CO -0.12 -0.04 0.48 -0.70 -3.33 0.00 0.00 175.10 171.39 1xn5 s GLU 64 N 2.77 0.46 0.44 1.54 2.56 -1.11 -4.19 118.70 121.17 1xn5 s GLU 64 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 54.97 55.65 1xn5 s GLU 64 Cb -0.14 -0.05 0.00 0.00 2.00 0.00 0.00 34.13 35.94 1xn5 s GLU 64 CO -0.22 -0.84 0.00 0.54 -0.56 0.00 0.00 175.26 174.18 1xn5 n ARG 65 N 5.39 -2.71 -1.43 4.30 1.74 -1.26 -4.00 116.66 118.68 1xn5 n ARG 65 Ca 0.00 2.08 -0.43 0.00 -0.77 0.00 0.00 57.85 58.73 1xn5 n ARG 65 Cb 0.51 -3.30 -0.03 0.00 -1.02 0.00 0.00 32.46 28.61 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 -4.01 2.14 0.00 5.56 -0.04 -1.26 -3.53 135.00 133.86 1xn5 n PRO 66 Ca -0.04 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1xn5 n PRO 66 Cb 0.64 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 -3.69 0.52 -6.64 -1.26 -3.95 119.36 109.93 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 -0.27 -0.16 0.00 -1.44 0.00 0.00 39.64 38.17 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 -1.64 -0.01 -0.09 6.28 2.20 -1.23 -3.77 119.74 121.48 1xn5 s LYS 68 Ca 0.00 0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1xn5 s LYS 68 Cb 0.00 -0.36 0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1xn5 s LYS 68 CO 0.00 -0.29 0.19 -1.17 -0.36 0.00 0.00 175.35 173.72 1xn5 s LEU 69 N 2.02 0.52 0.05 5.43 2.96 -1.00 -2.76 118.68 125.89 1xn5 s LEU 69 Ca 0.01 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1xn5 s LEU 69 Cb -0.12 0.53 -0.01 0.00 0.50 0.00 0.00 46.19 47.09 1xn5 s LEU 69 CO -0.04 -0.16 0.11 -0.55 -1.32 0.00 0.00 176.35 174.39 1xn5 s SER 70 N 1.29 0.18 -0.18 3.68 0.15 0.38 0.19 113.70 119.40 1xn5 s SER 70 Ca -0.08 -0.58 -0.23 0.00 0.70 0.00 0.00 55.95 55.75 1xn5 s SER 70 Cb -0.11 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.51 1xn5 s SER 70 CO -0.07 -0.56 0.61 0.72 1.20 0.00 0.00 173.24 175.13 1xn5 s PHE 71 N -2.97 -0.64 0.23 3.44 -0.12 -1.10 -3.12 117.98 113.71 1xn5 s PHE 71 Ca -0.02 1.44 -0.18 0.00 -0.05 0.00 0.00 56.93 58.11 1xn5 s PHE 71 Cb 0.01 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.58 1xn5 s PHE 71 CO -0.06 -0.39 0.71 0.95 -0.05 0.00 0.00 175.22 176.38 1xn5 s THR 72 N -0.13 4.61 -0.18 -4.49 -4.23 -0.44 -3.46 115.64 107.33 1xn5 s THR 72 Ca -0.03 1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1xn5 s THR 72 Cb -0.03 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1xn5 s THR 72 CO 0.03 0.14 0.01 0.86 -0.54 0.00 0.00 174.62 175.12 1xn5 s TRP 73 N -1.60 3.11 0.26 3.99 -0.11 -1.09 -3.97 118.94 119.53 1xn5 s TRP 73 Ca 0.45 -0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.55 1xn5 s TRP 73 Cb -0.15 -2.05 0.00 0.00 -1.50 0.00 0.00 33.47 29.77 1xn5 s TRP 73 CO 0.20 -0.04 0.00 -0.25 -4.62 0.00 0.00 176.95 172.24 1xn5 n ASP 74 N 3.80 -6.89 0.03 5.86 9.92 -1.25 -3.77 116.55 124.25 1xn5 n ASP 74 Ca -0.17 1.22 -0.11 0.00 -0.53 0.00 0.00 54.79 55.20 1xn5 n ASP 74 Cb 0.52 -3.53 -0.04 0.00 -0.64 0.00 0.00 41.12 37.43 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1xn5 h THR 75 N -1.05 0.32 -0.90 -3.53 1.35 -1.95 -3.43 112.91 103.73 1xn5 h THR 75 Ca 0.02 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.02 1xn5 h THR 75 Cb 1.03 0.32 -0.21 0.00 -1.73 0.00 0.00 68.15 67.57 1xn5 h THR 75 CO 0.01 0.00 -0.12 -0.62 -0.25 0.00 0.00 175.52 174.54 1xn5 s ASP 76 N -4.90 -1.06 0.00 5.36 -1.08 -1.26 -5.08 116.67 108.65 1xn5 s ASP 76 Ca -0.15 0.77 0.00 0.00 -0.52 0.00 0.00 52.55 52.65 1xn5 s ASP 76 Cb 0.10 1.93 0.00 0.00 -1.46 0.00 0.00 42.92 43.49 1xn5 s ASP 76 CO 0.66 -0.20 0.00 0.61 0.52 0.00 0.00 175.17 176.76 1xn5 n GLY 77 N 5.42 -1.39 3.44 2.66 0.00 -1.25 -5.12 105.19 108.95 1xn5 n GLY 77 Ca -0.04 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 1xn5 n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 78 N 0.00 2.22 -0.02 1.61 0.51 -1.26 -4.87 118.94 117.13 1xn5 s TRP 78 Ca 0.00 -0.36 0.00 0.00 -2.12 0.00 0.00 56.10 53.62 1xn5 s TRP 78 Cb 0.00 -1.00 0.02 0.00 -0.81 0.00 0.00 33.47 31.69 1xn5 s TRP 78 CO 0.00 0.63 -0.00 -1.54 -0.51 0.00 0.00 176.95 175.53 1xn5 s SER 79 N -3.30 0.36 0.04 2.95 1.04 -1.12 -2.65 113.70 111.02 1xn5 s SER 79 Ca 0.27 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.76 1xn5 s SER 79 Cb -0.05 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1xn5 s SER 79 CO 0.13 -0.09 -0.23 0.54 0.98 0.00 0.00 173.24 174.57 1xn5 s VAL 80 N 0.88 2.38 -0.05 5.02 0.11 -1.22 -2.48 120.40 125.05 1xn5 s VAL 80 Ca -0.09 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 57.71 1xn5 s VAL 80 Cb -0.12 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1xn5 s VAL 80 CO -0.02 0.37 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.10 1xn5 s THR 81 N -0.83 1.21 0.17 5.04 2.01 0.42 -2.71 115.64 120.94 1xn5 s THR 81 Ca 0.13 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1xn5 s THR 81 Cb -0.10 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1xn5 s THR 81 CO 0.03 0.36 0.32 -0.36 -0.69 0.00 0.00 174.62 174.28 1xn5 s PHE 82 N 0.29 3.48 -0.09 4.92 0.08 0.50 0.28 117.98 127.45 1xn5 s PHE 82 Ca -0.08 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1xn5 s PHE 82 Cb -0.12 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1xn5 s PHE 82 CO 0.02 0.47 0.14 -1.01 -0.10 0.00 0.00 175.22 174.74 1xn5 s HIS 83 N -1.80 -0.12 0.21 0.36 3.76 0.23 -2.38 115.29 115.55 1xn5 s HIS 83 Ca 0.36 0.48 0.09 0.00 -0.15 0.00 0.00 55.06 55.84 1xn5 s HIS 83 Cb -0.11 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.21 1xn5 s HIS 83 CO 0.29 -0.29 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.30 1xn5 s LEU 84 N 2.27 3.02 -0.30 0.89 1.02 -1.25 0.39 118.68 124.72 1xn5 s LEU 84 Ca 0.04 -0.61 -0.17 0.00 0.02 0.00 0.00 54.13 53.41 1xn5 s LEU 84 Cb -0.12 -1.65 0.18 0.00 0.02 0.00 0.00 46.19 44.61 1xn5 s LEU 84 CO -0.06 0.07 1.14 -1.59 0.02 0.00 0.00 176.35 175.93 1xn5 s LYS 85 N -3.08 0.15 0.17 1.70 -2.85 -0.91 -4.00 119.74 110.93 1xn5 s LYS 85 Ca 0.27 0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 55.29 1xn5 s LYS 85 Cb -0.08 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.82 1xn5 s LYS 85 CO 0.16 -0.08 1.31 -2.00 0.10 0.00 0.00 175.35 174.85 1xn5 s GLU 86 N 2.41 4.38 0.00 1.78 -6.30 -1.26 -0.66 118.70 119.05 1xn5 s GLU 86 Ca -0.01 2.03 0.00 0.00 -2.50 0.00 0.00 54.97 54.49 1xn5 s GLU 86 Cb -0.05 -3.21 0.00 0.00 0.00 0.00 0.00 34.13 30.87 1xn5 s GLU 86 CO -0.15 -0.28 0.00 -1.91 0.02 0.00 0.00 175.26 172.94 1xn5 n GLU 87 N 2.95 1.52 0.00 4.30 0.00 0.37 -4.89 120.64 124.90 1xn5 n GLU 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1xn5 n GLU 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xn5 n GLU 88 N -0.67 0.00 -3.07 5.31 1.02 -1.26 -3.74 120.64 118.23 1xn5 n GLU 88 Ca 0.00 0.72 -0.23 0.00 -0.02 0.00 0.00 57.16 57.63 1xn5 n GLU 88 Cb 0.00 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.01 2.68 0.00 1.62 2.85 -1.26 -5.06 115.26 114.08 1xn5 n ASN 89 Ca 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 54.58 51.12 1xn5 n ASN 89 Cb 0.00 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.43 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xn5 n GLY 90 N 0.05 1.03 3.58 8.20 0.00 -1.25 -4.83 105.19 111.97 1xn5 n GLY 90 Ca 0.28 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 3.85 -0.14 2.61 2.01 -0.98 0.14 115.64 121.13 1xn5 s THR 91 Ca 0.00 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 1xn5 s THR 91 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1xn5 s THR 91 CO 0.00 0.58 0.11 -0.63 -0.69 0.00 0.00 174.62 173.99 1xn5 s ILE 92 N -0.58 5.23 -0.12 1.82 -1.09 0.16 -2.75 121.20 123.88 1xn5 s ILE 92 Ca 0.09 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.63 1xn5 s ILE 92 Cb -0.12 -3.30 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 1xn5 s ILE 92 CO 0.02 0.56 -0.15 0.12 -1.23 0.00 0.00 174.94 174.26 1xn5 s PHE 93 N -0.53 2.00 -0.07 3.97 2.19 -0.22 -2.15 117.98 123.18 1xn5 s PHE 93 Ca 0.12 -1.00 0.04 0.00 0.33 0.00 0.00 56.93 56.42 1xn5 s PHE 93 Cb -0.12 -1.46 0.00 0.00 -1.31 0.00 0.00 43.02 40.13 1xn5 s PHE 93 CO 0.02 -0.53 -0.18 0.99 1.83 0.00 0.00 175.22 177.35 1xn5 s THR 94 N 1.15 1.57 0.06 0.12 2.01 0.16 0.68 115.64 121.39 1xn5 s THR 94 Ca -0.03 -0.76 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1xn5 s THR 94 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1xn5 s THR 94 CO -0.04 0.45 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.73 1xn5 s ILE 95 N 0.27 3.37 -0.08 1.82 -1.16 0.86 0.77 121.20 127.05 1xn5 s ILE 95 Ca -0.11 -1.07 -0.03 0.00 -0.51 0.00 0.00 60.65 58.93 1xn5 s ILE 95 Cb -0.15 -2.51 0.04 0.00 0.61 0.00 0.00 42.46 40.45 1xn5 s ILE 95 CO 0.05 0.25 0.05 -0.69 -2.81 0.00 0.00 174.94 171.79 1xn5 s VAL 96 N -1.09 0.03 -0.04 4.00 1.01 0.14 -0.30 120.40 124.16 1xn5 s VAL 96 Ca 0.19 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1xn5 s VAL 96 Cb -0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 1xn5 s VAL 96 CO 0.10 0.08 -0.16 -2.28 0.00 0.00 0.00 175.10 172.84 1xn5 s HIS 97 N 2.11 1.57 0.19 5.22 5.04 -1.12 0.16 115.29 128.45 1xn5 s HIS 97 Ca 0.04 -0.43 -0.14 0.00 -1.54 0.00 0.00 55.06 52.99 1xn5 s HIS 97 Cb -0.13 -1.06 0.01 0.00 0.04 0.00 0.00 32.58 31.44 1xn5 s HIS 97 CO -0.05 -0.14 0.43 -1.12 -2.34 0.00 0.00 174.74 171.52 1xn5 s SER 98 N 0.03 -0.13 0.00 9.88 0.01 -1.04 -0.10 113.70 122.35 1xn5 s SER 98 Ca -0.03 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1xn5 s SER 98 Cb -0.11 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1xn5 s SER 98 CO 0.02 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1xn5 n GLY 99 N -0.30 0.99 3.89 3.44 0.00 -1.26 -2.81 105.19 109.15 1xn5 n GLY 99 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.05 1.51 0.01 1.61 0.52 -1.26 -4.77 118.94 116.52 1xn5 s TRP 100 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 56.10 55.21 1xn5 s TRP 100 Cb 0.00 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 1xn5 s TRP 100 CO 0.00 -0.41 0.01 1.63 0.02 0.00 0.00 176.95 178.21 1xn5 n LYS 101 N -1.72 1.14 -1.65 4.98 5.02 -1.26 -4.84 118.16 119.82 1xn5 n LYS 101 Ca -0.06 -0.07 -0.44 0.00 -2.02 0.00 0.00 58.31 55.72 1xn5 n LYS 101 Cb 0.65 -0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.65 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 -0.88 1.79 -0.59 1.97 6.02 -1.26 -3.64 117.38 120.78 1xn5 n GLN 102 Ca 0.00 0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 57.45 1xn5 n GLN 102 Cb 0.01 -2.12 -0.02 0.00 1.02 0.00 0.00 30.24 29.13 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xn5 n GLY 103 N 1.03 2.78 0.00 1.08 0.00 -1.26 -2.08 105.19 106.74 1xn5 n GLY 103 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xn5 n ASP 104 N 4.24 0.00 -4.07 1.61 -0.08 -1.26 -5.02 116.55 111.97 1xn5 n ASP 104 Ca 0.35 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.34 1xn5 n ASP 104 Cb 0.13 0.00 0.22 0.00 2.34 0.00 0.00 41.12 43.81 1xn5 n ASP 104 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1xn5 n THR 105 N 0.00 0.00 -4.28 5.18 5.66 -0.89 -4.90 114.28 115.06 1xn5 n THR 105 Ca 0.00 -0.28 -0.28 0.00 -3.05 0.00 0.00 64.05 60.44 1xn5 n THR 105 Cb 0.00 -0.77 -0.10 0.00 -1.55 0.00 0.00 70.33 67.91 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 -3.99 2.00 0.23 1.09 2.20 -1.26 -3.58 119.74 116.43 1xn5 s LYS 106 Ca 0.59 -1.19 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 1xn5 s LYS 106 Cb -0.15 -2.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.90 1xn5 s LYS 106 CO 0.60 0.46 1.08 0.08 -0.36 0.00 0.00 175.35 177.21 1xn5 s VAL 107 N -1.45 3.70 -0.29 4.02 1.01 -1.24 -4.75 120.40 121.41 1xn5 s VAL 107 Ca 0.22 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.82 1xn5 s VAL 107 Cb -0.10 -4.03 0.32 0.00 0.00 0.00 0.00 36.38 32.58 1xn5 s VAL 107 CO 0.14 0.34 1.70 1.21 0.00 0.00 0.00 175.10 178.48 1xn5 n GLU 108 N 1.70 1.77 -2.07 2.72 2.13 -1.26 -3.69 120.64 121.93 1xn5 n GLU 108 Ca 0.00 -1.70 -0.02 0.00 0.66 0.00 0.00 57.16 56.10 1xn5 n GLU 108 Cb 0.46 -1.66 0.07 0.00 0.27 0.00 0.00 31.44 30.57 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1xn5 n LYS 109 N -0.18 0.82 0.00 5.31 4.81 -1.26 -5.10 118.16 122.56 1xn5 n LYS 109 Ca 0.33 -0.89 0.00 0.00 -0.87 0.00 0.00 58.31 56.88 1xn5 n LYS 109 Cb 0.93 0.37 0.00 0.00 0.02 0.00 0.00 35.03 36.35 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 -0.94 0.00 -0.56 3.14 0.00 -1.24 -5.00 120.51 115.91 1xn5 n ALA 110 Ca -0.15 0.00 0.46 0.00 0.00 0.00 0.00 53.44 53.74 1xn5 n ALA 110 Cb 0.75 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.97 1xn5 n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1xn5 h GLY 111 N 0.00 0.23 -1.77 0.00 0.00 -1.99 -3.39 103.07 96.14 1xn5 h GLY 111 Ca 0.00 -0.02 -0.48 0.00 0.00 0.00 0.00 47.33 46.82 1xn5 h GLY 111 CO 0.00 -0.07 0.38 0.00 0.00 0.00 0.00 176.54 176.85 1xn5 s ALA 112 N -4.96 2.83 0.57 3.60 0.00 -1.26 -4.91 121.76 117.62 1xn5 s ALA 112 Ca -0.05 0.37 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1xn5 s ALA 112 Cb 0.26 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1xn5 s ALA 112 CO 0.86 -0.61 0.94 -1.21 0.00 0.00 0.00 175.76 175.74 1xn5 s GLU 113 N -3.97 3.58 0.20 0.00 2.02 -1.26 -3.59 118.70 115.68 1xn5 s GLU 113 Ca 0.63 0.55 -0.12 0.00 0.02 0.00 0.00 54.97 56.05 1xn5 s GLU 113 Cb -0.15 -2.19 0.23 0.00 0.10 0.00 0.00 34.13 32.12 1xn5 s GLU 113 CO 0.33 -0.43 1.71 1.03 0.02 0.00 0.00 175.26 177.93 1xn5 h SER 114 N -0.10 0.02 -0.89 -0.19 0.87 -1.85 0.65 113.55 112.05 1xn5 h SER 114 Ca -0.45 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xn5 h SER 114 Cb 1.20 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 1xn5 h SER 114 CO 0.62 0.03 0.55 0.00 -0.53 0.00 0.00 176.83 177.50 1xn5 h ALA 115 N 1.42 1.14 -0.11 6.23 0.00 -1.85 1.26 119.26 127.34 1xn5 h ALA 115 Ca 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xn5 h ALA 115 Cb 0.38 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xn5 h ALA 115 CO -0.35 0.58 0.04 0.28 0.00 0.00 0.00 179.25 179.80 1xn5 h VAL 116 N 1.23 1.17 -0.10 0.00 2.07 -1.29 -0.98 116.25 118.35 1xn5 h VAL 116 Ca 0.32 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1xn5 h VAL 116 Cb -0.07 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1xn5 h VAL 116 CO -0.06 0.15 0.02 0.58 0.02 0.00 0.00 177.57 178.28 1xn5 h VAL 117 N 0.00 1.19 -0.48 2.57 2.07 0.69 0.14 116.25 122.44 1xn5 h VAL 117 Ca 0.04 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1xn5 h VAL 117 Cb 0.20 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 1xn5 h VAL 117 CO -0.00 0.17 -0.33 -0.74 0.02 0.00 0.00 177.57 176.69 1xn5 h HIS 118 N -0.05 -0.91 -0.49 1.57 -0.00 0.17 1.15 115.15 116.60 1xn5 h HIS 118 Ca 0.03 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1xn5 h HIS 118 Cb 0.25 0.47 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 1xn5 h HIS 118 CO 0.01 -0.38 0.29 0.93 -0.00 0.00 0.00 177.93 178.78 1xn5 h GLU 119 N -0.21 0.66 0.44 5.26 5.08 -1.06 0.50 114.58 125.25 1xn5 h GLU 119 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1xn5 h GLU 119 Cb 0.54 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xn5 h GLU 119 CO -0.59 0.49 -0.24 0.00 -1.00 0.00 0.00 179.01 177.66 1xn5 h ARG 120 N 0.65 -0.61 -0.76 2.33 3.08 0.12 0.62 114.38 119.81 1xn5 h ARG 120 Ca 0.17 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.39 1xn5 h ARG 120 Cb -0.01 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1xn5 h ARG 120 CO -0.03 -0.41 0.50 0.52 -1.07 0.00 0.00 179.97 179.48 1xn5 h MET 121 N -0.63 0.52 -0.27 0.04 2.86 0.13 -0.47 114.93 117.11 1xn5 h MET 121 Ca -0.06 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1xn5 h MET 121 Cb 0.50 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xn5 h MET 121 CO 0.08 0.35 0.17 0.22 1.06 0.00 0.00 176.91 178.78 1xn5 h ASP 122 N 0.54 0.32 0.30 1.22 1.82 0.26 0.50 116.42 121.38 1xn5 h ASP 122 Ca 0.37 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.97 1xn5 h ASP 122 Cb 0.68 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1xn5 h ASP 122 CO -0.13 0.26 -0.31 0.03 -1.61 0.00 0.00 179.24 177.48 1xn5 h ARG 123 N 0.34 -0.61 -0.68 0.28 3.08 0.77 -0.26 114.38 117.30 1xn5 h ARG 123 Ca 0.10 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xn5 h ARG 123 Cb -0.00 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1xn5 h ARG 123 CO -0.02 -0.41 0.45 0.78 -1.07 0.00 0.00 179.97 179.70 1xn5 h GLY 124 N -0.64 0.96 0.70 0.04 0.00 -1.22 0.26 103.07 103.17 1xn5 h GLY 124 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1xn5 h GLY 124 CO -0.06 0.35 -0.20 1.49 0.00 0.00 0.00 176.54 178.12 1xn5 h TRP 125 N 0.92 -0.52 0.01 5.60 -0.00 0.65 1.07 115.95 123.68 1xn5 h TRP 125 Ca 0.25 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.14 1xn5 h TRP 125 Cb -0.10 0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.27 1xn5 h TRP 125 CO 0.00 -0.29 -0.00 1.25 -0.00 0.00 0.00 178.44 179.39 1xn5 h HIS 126 N -0.39 -0.01 -0.79 0.49 2.76 -0.49 -0.36 115.15 116.36 1xn5 h HIS 126 Ca 0.02 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.31 1xn5 h HIS 126 Cb 0.40 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.28 1xn5 h HIS 126 CO -0.18 0.12 0.38 -0.44 -1.30 0.00 0.00 177.93 176.52 1xn5 h ASP 127 N -0.14 0.45 0.19 3.26 3.32 -0.16 0.40 116.42 123.74 1xn5 h ASP 127 Ca -0.00 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1xn5 h ASP 127 Cb 0.14 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xn5 h ASP 127 CO 0.00 0.21 -0.09 0.25 -1.72 0.00 0.00 179.24 177.89 1xn5 h LEU 128 N 0.58 -0.22 -3.61 1.55 5.85 0.16 -2.16 115.31 117.46 1xn5 h LEU 128 Ca 0.42 -0.01 -0.42 0.00 0.84 0.00 0.00 57.88 58.70 1xn5 h LEU 128 Cb 0.55 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 41.46 1xn5 h LEU 128 CO -0.34 -0.14 0.55 0.55 -0.34 0.00 0.00 178.44 178.72 1xn5 n VAL 129 N -5.19 3.00 0.04 1.05 3.14 -0.18 -1.26 118.33 118.93 1xn5 n VAL 129 Ca -0.09 -1.99 0.00 0.00 -2.96 0.00 0.00 64.34 59.30 1xn5 n VAL 129 Cb 0.13 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.66 1xn5 n VAL 129 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1xn5 n ASN 130 N -0.06 0.79 0.00 6.55 5.03 0.13 -4.64 115.26 123.06 1xn5 n ASN 130 Ca 0.40 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.97 1xn5 n ASN 130 Cb 0.64 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1xn5 n GLU 131 N -3.37 0.00 -0.34 3.52 -0.00 -1.10 -4.40 120.64 114.95 1xn5 n GLU 131 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.35 1xn5 n GLU 131 Cb 0.11 -0.64 0.42 0.00 -0.00 0.00 0.00 31.44 31.33 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xn5 h ARG 132 N 0.00 0.52 0.07 3.44 2.47 -1.61 0.86 114.38 120.13 1xn5 h ARG 132 Ca 0.00 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 1xn5 h ARG 132 Cb 0.62 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1xn5 h ARG 132 CO 0.00 0.34 -0.47 1.25 0.56 0.00 0.00 179.97 181.65 1xn5 h LEU 133 N 0.53 0.24 -1.72 3.04 5.85 -1.46 -3.28 115.31 118.51 1xn5 h LEU 133 Ca 0.64 -0.96 0.18 0.00 0.84 0.00 0.00 57.88 58.58 1xn5 h LEU 133 Cb 1.31 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1xn5 h LEU 133 CO -0.44 1.22 0.52 -0.09 -0.34 0.00 0.00 178.44 179.32 1xn5 h ARG 134 N -0.68 0.25 0.00 1.25 2.43 -1.26 1.09 114.38 117.47 1xn5 h ARG 134 Ca -0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1xn5 h ARG 134 Cb 1.34 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1xn5 h ARG 134 CO 0.07 0.17 0.00 0.94 -1.51 0.00 0.00 179.97 179.64 1xn5 n GLN 135 N -4.43 0.09 0.09 0.20 7.27 0.28 0.11 117.38 120.99 1xn5 n GLN 135 Ca 0.15 0.23 0.03 0.00 0.07 0.00 0.00 57.00 57.48 1xn5 n GLN 135 Cb 0.65 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.78 1xn5 n GLN 135 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1xn5 h ILE 136 N 0.00 0.54 0.00 1.69 1.08 0.11 -3.33 117.51 117.61 1xn5 h ILE 136 Ca 0.00 -1.89 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 1xn5 h ILE 136 Cb 0.17 2.11 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1xn5 h ILE 136 CO 0.00 0.31 -1.31 1.33 -0.69 0.00 0.00 178.15 177.79 1xn5 n VAL 137 N -3.00 0.00 0.76 1.67 0.24 -0.40 -5.05 118.33 112.54 1xn5 n VAL 137 Ca -0.03 -0.23 0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1xn5 n VAL 137 Cb 0.74 0.37 0.08 0.00 -1.47 0.00 0.00 33.84 33.56 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07