#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 2.59 -1.14 2.03 -2.24 -1.26 -5.08 114.28 109.19 1xn5 n THR 2 Ca 0.00 -4.32 0.15 0.00 -2.27 0.00 0.00 64.05 57.60 1xn5 n THR 2 Cb 0.00 -1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 67.01 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xn5 n ARG 3 N -0.66 -2.26 -3.32 -0.78 1.74 -1.26 -4.80 116.66 105.32 1xn5 n ARG 3 Ca 0.44 1.56 -0.31 0.00 -0.77 0.00 0.00 57.85 58.78 1xn5 n ARG 3 Cb 0.85 -2.78 -0.05 0.00 -1.02 0.00 0.00 32.46 29.46 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 -5.82 4.10 0.39 0.55 1.43 -1.22 -4.62 118.68 113.49 1xn5 s LEU 4 Ca 0.00 0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 53.77 1xn5 s LEU 4 Cb 0.00 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1xn5 s LEU 4 CO 0.00 -0.15 1.06 -2.16 0.23 0.00 0.00 176.35 175.33 1xn5 s PRO 5 N -3.13 4.21 -0.11 1.29 0.04 -1.26 -4.99 135.00 131.06 1xn5 s PRO 5 Ca 0.47 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1xn5 s PRO 5 Cb -0.11 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1xn5 s PRO 5 CO 0.24 -0.11 1.13 0.16 0.04 0.00 0.00 177.00 178.46 1xn5 s ASP 6 N -1.47 7.10 -0.88 6.66 1.47 -1.26 -4.90 116.67 123.39 1xn5 s ASP 6 Ca 0.56 1.66 -0.23 0.00 1.18 0.00 0.00 52.55 55.72 1xn5 s ASP 6 Cb -0.23 -2.55 -0.14 0.00 -0.34 0.00 0.00 42.92 39.65 1xn5 s ASP 6 CO 0.29 -0.57 1.92 -0.38 0.68 0.00 0.00 175.17 177.10 1xn5 n ILE 7 N 4.78 1.79 -3.59 2.11 5.41 -0.54 -4.87 119.36 124.45 1xn5 n ILE 7 Ca 0.11 -1.67 -0.38 0.00 1.00 0.00 0.00 62.75 61.81 1xn5 n ILE 7 Cb 0.47 -2.26 -0.11 0.00 -0.71 0.00 0.00 39.64 37.03 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 5.56 3.95 0.23 0.38 2.20 -1.26 -1.37 119.74 129.43 1xn5 s LYS 8 Ca 0.61 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.98 1xn5 s LYS 8 Cb 0.09 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1xn5 s LYS 8 CO 0.13 -0.18 -0.12 0.15 -0.36 0.00 0.00 175.35 174.97 1xn5 s LYS 9 N 1.75 1.42 -0.03 4.03 -0.14 0.22 -4.98 119.74 122.02 1xn5 s LYS 9 Ca 0.07 -1.66 -0.13 0.00 -1.36 0.00 0.00 55.97 52.89 1xn5 s LYS 9 Cb -0.16 -1.18 0.02 0.00 -1.68 0.00 0.00 37.83 34.83 1xn5 s LYS 9 CO 0.11 0.15 0.28 -2.00 -0.76 0.00 0.00 175.35 173.13 1xn5 s GLU 10 N -3.66 0.59 0.11 1.68 -6.30 -1.26 -0.20 118.70 109.65 1xn5 s GLU 10 Ca 0.25 -0.13 -0.10 0.00 -2.50 0.00 0.00 54.97 52.49 1xn5 s GLU 10 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 34.13 34.40 1xn5 s GLU 10 CO 0.09 -0.15 0.25 0.14 0.02 0.00 0.00 175.26 175.61 1xn5 s VAL 11 N -1.10 0.11 -0.18 3.70 -7.23 0.80 -5.00 120.40 111.51 1xn5 s VAL 11 Ca -0.12 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1xn5 s VAL 11 Cb -0.05 -1.40 0.05 0.00 0.56 0.00 0.00 36.38 35.54 1xn5 s VAL 11 CO 0.03 -0.52 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.68 1xn5 s ARG 12 N -3.87 1.21 0.10 4.82 3.52 -1.26 -1.33 118.95 122.14 1xn5 s ARG 12 Ca 0.07 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1xn5 s ARG 12 Cb 0.04 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1xn5 s ARG 12 CO -0.09 -0.50 -0.11 -0.06 -0.81 0.00 0.00 175.30 173.74 1xn5 s PHE 13 N 1.68 2.73 -0.63 5.12 0.08 -1.09 -4.99 117.98 120.87 1xn5 s PHE 13 Ca -0.00 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.68 1xn5 s PHE 13 Cb -0.16 -1.43 0.09 0.00 -0.57 0.00 0.00 43.02 40.94 1xn5 s PHE 13 CO -0.07 0.42 0.84 -0.80 -0.10 0.00 0.00 175.22 175.51 1xn5 s ASN 14 N -2.17 6.18 -0.12 1.36 0.01 -1.26 -1.63 114.94 117.30 1xn5 s ASN 14 Ca 0.21 -1.20 -0.33 0.00 -0.71 0.00 0.00 52.86 50.83 1xn5 s ASN 14 Cb -0.11 -2.36 0.13 0.00 0.41 0.00 0.00 41.25 39.32 1xn5 s ASN 14 CO 0.13 -1.29 1.27 0.00 -1.51 0.00 0.00 177.10 175.70 1xn5 s ALA 15 N 3.42 -2.18 -0.05 0.60 0.00 -1.26 -4.87 121.76 117.43 1xn5 s ALA 15 Ca 0.17 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1xn5 s ALA 15 Cb -0.20 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1xn5 s ALA 15 CO 0.08 -0.81 1.21 -1.25 0.00 0.00 0.00 175.76 175.00 1xn5 s PRO 16 N -2.36 4.35 0.56 0.00 0.04 -1.26 -3.70 135.00 132.63 1xn5 s PRO 16 Ca 0.12 1.70 0.31 0.00 0.04 0.00 0.00 61.00 63.17 1xn5 s PRO 16 Cb 0.02 -3.55 1.46 0.00 0.04 0.00 0.00 34.50 32.47 1xn5 s PRO 16 CO -0.04 -0.45 1.84 0.97 0.04 0.00 0.00 177.00 179.37 1xn5 h ILE 17 N 4.98 0.43 -0.17 0.56 2.10 -1.97 1.00 117.51 124.43 1xn5 h ILE 17 Ca -0.35 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.60 1xn5 h ILE 17 Cb 1.16 0.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.41 1xn5 h ILE 17 CO 0.88 0.00 0.12 -0.08 -1.08 0.00 0.00 178.15 177.98 1xn5 h GLU 18 N 0.00 0.19 0.00 2.19 4.22 -1.98 1.39 114.58 120.59 1xn5 h GLU 18 Ca 0.38 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.77 1xn5 h GLU 18 Cb 1.68 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1xn5 h GLU 18 CO -0.00 0.12 -0.36 -0.22 -2.18 0.00 0.00 179.01 176.37 1xn5 h LYS 19 N 0.19 0.00 -0.64 1.92 3.64 0.64 -2.99 116.57 119.33 1xn5 h LYS 19 Ca 0.07 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1xn5 h LYS 19 Cb 0.04 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 1xn5 h LYS 19 CO -0.01 0.37 0.43 0.28 -2.27 0.00 0.00 179.45 178.25 1xn5 h VAL 20 N -1.00 0.88 0.27 2.00 2.07 -1.25 1.04 116.25 120.27 1xn5 h VAL 20 Ca -0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1xn5 h VAL 20 Cb 0.57 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1xn5 h VAL 20 CO -0.04 0.08 -0.13 -0.25 0.02 0.00 0.00 177.57 177.25 1xn5 h TRP 21 N 0.43 -0.34 -0.28 1.57 -0.00 0.18 -2.06 115.95 115.45 1xn5 h TRP 21 Ca 0.30 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 59.11 1xn5 h TRP 21 Cb 0.60 0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.85 1xn5 h TRP 21 CO -0.00 -0.12 -0.14 0.93 -0.00 0.00 0.00 178.44 179.11 1xn5 h GLU 22 N -0.51 0.47 0.00 2.65 4.39 -0.98 -0.56 114.58 120.04 1xn5 h GLU 22 Ca -0.04 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xn5 h GLU 22 Cb 0.38 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1xn5 h GLU 22 CO 0.06 0.60 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 1xn5 n ALA 23 N -2.48 1.27 -0.84 3.43 0.00 0.35 -0.56 120.51 121.68 1xn5 n ALA 23 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.58 1xn5 n ALA 23 Cb 0.33 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.95 1.19 -0.04 0.00 0.24 -0.36 -2.87 118.33 114.54 1xn5 n VAL 24 Ca 0.00 -1.36 -0.05 0.00 -2.04 0.00 0.00 64.34 60.89 1xn5 n VAL 24 Cb 0.09 0.21 -0.04 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.82 3.38 -4.11 -1.34 3.41 0.28 -4.99 113.62 109.43 1xn5 n SER 25 Ca 0.07 -0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1xn5 n SER 25 Cb 0.51 0.01 0.11 0.00 -0.26 0.00 0.00 64.21 64.58 1xn5 n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xn5 n THR 26 N -2.65 0.00 -0.11 6.66 -2.24 -0.36 -3.46 114.28 112.13 1xn5 n THR 26 Ca -0.14 -1.28 -0.24 0.00 -2.27 0.00 0.00 64.05 60.12 1xn5 n THR 26 Cb 0.66 -1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1xn5 n THR 26 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xn5 n SER 27 N -3.03 1.95 -0.16 3.42 7.64 -1.26 -3.33 113.62 118.86 1xn5 n SER 27 Ca 0.14 0.28 0.06 0.00 1.01 0.00 0.00 58.87 60.36 1xn5 n SER 27 Cb 0.50 -0.82 0.36 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.71 0.71 -0.00 1.43 4.22 -1.95 0.98 114.58 119.26 1xn5 h GLU 28 Ca -0.53 -0.04 -0.18 0.00 0.08 0.00 0.00 59.36 58.68 1xn5 h GLU 28 Cb 1.61 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1xn5 h GLU 28 CO -0.24 0.47 -0.83 0.78 -2.18 0.00 0.00 179.01 177.02 1xn5 h GLY 29 N 0.74 0.16 0.15 1.92 0.00 -1.81 -2.43 103.07 101.79 1xn5 h GLY 29 Ca 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xn5 h GLY 29 CO -0.09 0.25 -0.04 1.41 0.00 0.00 0.00 176.54 178.06 1xn5 h LEU 30 N 0.08 -0.11 -1.96 3.11 3.38 -1.01 -3.17 115.31 115.64 1xn5 h LEU 30 Ca -0.03 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xn5 h LEU 30 Cb 1.44 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1xn5 h LEU 30 CO 0.12 0.52 0.17 0.00 0.09 0.00 0.00 178.44 179.34 1xn5 h ALA 31 N -0.58 1.15 0.00 1.53 0.00 0.11 1.73 119.26 123.20 1xn5 h ALA 31 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 31 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xn5 h ALA 31 CO 0.02 -0.15 -0.04 0.35 0.00 0.00 0.00 179.25 179.42 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.40 -3.34 116.94 115.24 1xn5 h PHE 32 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xn5 h PHE 32 Cb 0.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1xn5 h PHE 32 CO 0.00 0.04 -0.24 -2.67 -2.02 0.00 0.00 178.31 173.42 1xn5 n TRP 33 N -3.46 0.00 0.00 0.41 4.27 0.93 -4.96 117.44 114.63 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 0.16 0.37 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 -2.61 0.00 -3.61 -2.67 7.35 0.55 -4.96 117.46 111.52 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 0.12 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.94 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 -0.07 0.44 0.34 -4.13 -1.94 -1.22 -4.88 119.30 107.84 1xn5 s MET 35 Ca 0.00 -0.20 -0.28 0.00 -1.71 0.00 0.00 55.69 53.49 1xn5 s MET 35 Cb 0.00 0.17 -0.12 0.00 2.01 0.00 0.00 34.83 36.89 1xn5 s MET 35 CO 0.00 -0.20 1.35 0.39 -0.01 0.00 0.00 175.02 176.55 1xn5 n GLU 36 N -0.27 2.24 -2.24 2.03 -0.58 -1.26 -2.85 120.64 117.70 1xn5 n GLU 36 Ca -0.04 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1xn5 n GLU 36 Cb 0.60 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.07 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xn5 n ASN 37 N 0.88 -0.26 -1.17 1.62 2.04 -1.26 -2.16 115.26 114.95 1xn5 n ASN 37 Ca 0.05 -1.07 0.04 0.00 -0.44 0.00 0.00 54.58 53.16 1xn5 n ASN 37 Cb 0.36 0.40 0.05 0.00 -2.53 0.00 0.00 39.78 38.06 1xn5 n ASN 37 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1xn5 n ASP 38 N -0.39 1.00 -4.35 0.53 2.03 -1.23 -4.77 116.55 109.38 1xn5 n ASP 38 Ca 0.01 -2.32 -0.39 0.00 0.52 0.00 0.00 54.79 52.61 1xn5 n ASP 38 Cb 0.12 -0.32 0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xn5 n LEU 39 N 0.12 -1.62 -3.64 -2.67 0.00 -1.26 -4.82 117.00 103.09 1xn5 n LEU 39 Ca 0.07 0.70 -0.16 0.00 0.00 0.00 0.00 56.01 56.62 1xn5 n LEU 39 Cb 1.00 -1.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.27 1xn5 n LEU 39 CO -0.03 -3.99 -0.20 -0.75 0.00 0.00 0.00 177.39 172.41 1xn5 s LYS 40 N -1.50 0.09 -1.05 1.96 2.20 -1.26 -4.20 119.74 115.98 1xn5 s LYS 40 Ca 0.62 0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 56.53 1xn5 s LYS 40 Cb -0.47 -0.34 -0.21 0.00 -1.51 0.00 0.00 37.83 35.30 1xn5 s LYS 40 CO 0.61 -0.35 2.14 0.00 -0.36 0.00 0.00 175.35 177.39 1xn5 s ALA 41 N 2.33 0.58 -0.30 3.13 0.00 -1.22 -4.66 121.76 121.63 1xn5 s ALA 41 Ca 0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1xn5 s ALA 41 Cb -0.13 -4.68 0.19 0.00 0.00 0.00 0.00 23.12 18.50 1xn5 s ALA 41 CO -0.07 -6.69 0.76 -2.00 0.00 0.00 0.00 175.76 167.76 1xn5 s GLU 42 N 8.39 0.42 0.09 0.00 2.12 -1.26 -5.00 118.70 123.45 1xn5 s GLU 42 Ca 0.82 0.53 -0.35 0.00 0.36 0.00 0.00 54.97 56.33 1xn5 s GLU 42 Cb -0.06 0.27 -0.18 0.00 0.26 0.00 0.00 34.13 34.42 1xn5 s GLU 42 CO 0.16 -0.66 0.96 -2.37 -0.54 0.00 0.00 175.26 172.81 1xn5 n THR 43 N 5.36 0.71 -2.12 -1.70 5.66 -1.26 -1.15 114.28 119.77 1xn5 n THR 43 Ca 0.03 -0.18 -0.03 0.00 -3.05 0.00 0.00 64.05 60.82 1xn5 n THR 43 Cb 0.54 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 0.32 3.91 1.09 0.00 -0.88 -5.04 105.19 106.38 1xn5 n GLY 44 Ca 0.18 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.25 3.51 -0.06 1.61 2.46 -0.30 -4.94 115.29 115.32 1xn5 s HIS 45 Ca 0.01 0.66 0.02 0.00 0.47 0.00 0.00 55.06 56.22 1xn5 s HIS 45 Cb -0.00 -2.14 0.01 0.00 -0.13 0.00 0.00 32.58 30.32 1xn5 s HIS 45 CO 0.01 -0.00 -0.11 -3.38 -2.47 0.00 0.00 174.74 168.79 1xn5 s HIS 46 N -2.37 1.35 0.13 3.88 -3.43 -1.26 -2.72 115.29 110.87 1xn5 s HIS 46 Ca 0.45 -0.48 -0.21 0.00 -0.80 0.00 0.00 55.06 54.01 1xn5 s HIS 46 Cb -0.10 -1.00 0.06 0.00 -1.43 0.00 0.00 32.58 30.10 1xn5 s HIS 46 CO 0.36 -0.26 0.54 -0.59 -2.00 0.00 0.00 174.74 172.80 1xn5 s PHE 47 N 0.67 -0.45 0.43 0.38 -0.71 -0.87 -4.96 117.98 112.47 1xn5 s PHE 47 Ca -0.14 0.25 0.08 0.00 -1.04 0.00 0.00 56.93 56.08 1xn5 s PHE 47 Cb -0.15 0.46 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 1xn5 s PHE 47 CO 0.03 -0.79 0.55 -1.01 -1.34 0.00 0.00 175.22 172.67 1xn5 s HIS 48 N -3.57 2.70 0.05 3.49 3.76 -1.26 -0.17 115.29 120.28 1xn5 s HIS 48 Ca 0.01 -0.44 0.03 0.00 -0.15 0.00 0.00 55.06 54.51 1xn5 s HIS 48 Cb -0.00 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 1xn5 s HIS 48 CO -0.11 -0.42 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.09 1xn5 s LEU 49 N -4.33 2.26 -0.92 0.89 2.96 -0.29 -3.47 118.68 115.78 1xn5 s LEU 49 Ca 0.54 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1xn5 s LEU 49 Cb -0.09 -0.30 0.23 0.00 0.50 0.00 0.00 46.19 46.53 1xn5 s LEU 49 CO 0.32 -0.15 0.82 0.00 -1.32 0.00 0.00 176.35 176.03 1xn5 n GLN 50 N 1.44 2.74 -2.74 1.98 1.13 -0.92 -2.92 117.38 118.09 1xn5 n GLN 50 Ca -0.22 -4.48 -0.25 0.00 -1.94 0.00 0.00 57.00 50.11 1xn5 n GLN 50 Cb 0.54 -2.42 0.02 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 -0.07 5.77 0.48 1.08 1.04 -1.25 -4.51 113.70 116.23 1xn5 s SER 51 Ca 0.28 0.48 0.27 0.00 0.48 0.00 0.00 55.95 57.47 1xn5 s SER 51 Cb -0.07 -1.64 0.81 0.00 0.10 0.00 0.00 66.02 65.22 1xn5 s SER 51 CO -0.12 -0.83 1.78 1.55 0.98 0.00 0.00 173.24 176.60 1xn5 h PRO 52 N 0.17 0.00 -1.29 4.02 0.13 -2.02 -3.17 132.00 129.84 1xn5 h PRO 52 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1xn5 h PRO 52 Cb 1.25 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 1xn5 h PRO 52 CO 0.59 0.05 0.84 1.19 -0.23 0.00 0.00 178.00 180.44 1xn5 n PHE 53 N -3.13 3.15 0.00 1.56 3.72 -1.26 -5.00 117.46 116.49 1xn5 n PHE 53 Ca 0.02 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.62 1xn5 n PHE 53 Cb 0.44 -1.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xn5 n GLY 54 N -0.79 -1.10 3.73 1.37 0.00 -1.20 -4.94 105.19 102.26 1xn5 n GLY 54 Ca 0.59 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.41 4.56 0.02 1.61 0.04 -1.26 -3.82 135.00 132.73 1xn5 s PRO 55 Ca 0.00 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1xn5 s PRO 55 Cb 0.00 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1xn5 s PRO 55 CO 0.00 0.01 -0.12 -1.12 0.04 0.00 0.00 177.00 175.81 1xn5 s SER 56 N 0.08 1.43 0.60 6.66 0.01 -1.15 -4.97 113.70 116.37 1xn5 s SER 56 Ca 0.51 -0.36 -0.15 0.00 1.31 0.00 0.00 55.95 57.26 1xn5 s SER 56 Cb -0.30 -0.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1xn5 s SER 56 CO 0.34 0.05 1.05 -2.16 0.41 0.00 0.00 173.24 172.94 1xn5 s PRO 57 N -0.82 3.31 0.05 12.44 0.04 -1.26 -1.14 135.00 147.62 1xn5 s PRO 57 Ca 0.02 1.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1xn5 s PRO 57 Cb -0.07 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1xn5 s PRO 57 CO 0.01 -0.81 0.07 0.00 0.04 0.00 0.00 177.00 176.31 1xn5 s GLN 59 N -2.97 0.33 -0.02 0.00 0.74 -1.19 -2.04 119.66 114.50 1xn5 s GLN 59 Ca -0.02 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 1xn5 s GLN 59 Cb 0.01 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 1xn5 s GLN 59 CO -0.06 -0.13 1.05 0.08 -0.55 0.00 0.00 175.29 175.68 1xn5 s VAL 60 N 1.04 4.62 -0.14 1.34 1.01 -1.10 -1.16 120.40 126.01 1xn5 s VAL 60 Ca -0.07 1.89 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1xn5 s VAL 60 Cb -0.08 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1xn5 s VAL 60 CO -0.08 0.09 0.30 0.35 0.00 0.00 0.00 175.10 175.76 1xn5 n THR 61 N 4.16 1.61 -3.69 3.92 -2.24 -1.21 -2.08 114.28 114.74 1xn5 n THR 61 Ca 0.08 -0.72 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1xn5 n THR 61 Cb 0.49 -1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 67.37 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 -6.40 -0.56 -0.30 3.42 1.01 -1.25 -4.64 116.67 107.96 1xn5 s ASP 62 Ca -0.17 1.00 -0.00 0.00 0.71 0.00 0.00 52.55 54.08 1xn5 s ASP 62 Cb 0.07 0.93 0.19 0.00 1.01 0.00 0.00 42.92 45.12 1xn5 s ASP 62 CO 0.77 -0.19 0.62 0.54 0.21 0.00 0.00 175.17 177.12 1xn5 s VAL 63 N 0.96 -0.96 -0.28 -1.27 0.11 -1.26 -1.03 120.40 116.67 1xn5 s VAL 63 Ca -0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.06 -0.99 0.17 0.00 -1.53 0.00 0.00 36.38 33.97 1xn5 s VAL 63 CO -0.08 0.00 0.48 -0.70 -3.33 0.00 0.00 175.10 171.47 1xn5 s GLU 64 N 2.86 0.46 0.43 1.54 2.12 -1.13 -4.29 118.70 120.69 1xn5 s GLU 64 Ca 0.18 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1xn5 s GLU 64 Cb -0.14 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.22 1xn5 s GLU 64 CO -0.22 -0.84 0.00 0.54 -0.54 0.00 0.00 175.26 174.20 1xn5 n ARG 65 N 5.39 -2.57 -1.31 4.30 1.74 -1.26 -3.97 116.66 118.98 1xn5 n ARG 65 Ca 0.00 1.98 -0.39 0.00 -0.77 0.00 0.00 57.85 58.67 1xn5 n ARG 65 Cb 0.51 -3.16 -0.03 0.00 -1.02 0.00 0.00 32.46 28.77 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xn5 n PRO 66 N -3.92 2.30 0.00 5.56 -0.04 -1.26 -3.51 135.00 134.12 1xn5 n PRO 66 Ca -0.05 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1xn5 n PRO 66 Cb 0.62 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 5.16 0.00 -3.67 0.52 -6.64 -1.25 -3.83 119.36 109.65 1xn5 n ILE 67 Ca 0.53 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.34 1xn5 n ILE 67 Cb 0.34 -0.31 -0.16 0.00 -1.44 0.00 0.00 39.64 38.07 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 -1.62 0.02 -0.04 6.28 2.20 -1.23 -3.81 119.74 121.55 1xn5 s LYS 68 Ca 0.00 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 1xn5 s LYS 68 Cb 0.00 -0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 1xn5 s LYS 68 CO 0.00 -0.31 0.09 -1.17 -0.36 0.00 0.00 175.35 173.60 1xn5 s LEU 69 N 2.27 1.55 0.06 5.43 2.96 -0.42 -2.84 118.68 127.69 1xn5 s LEU 69 Ca 0.03 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 1xn5 s LEU 69 Cb -0.12 0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.90 1xn5 s LEU 69 CO -0.05 -0.05 0.39 -0.55 -1.32 0.00 0.00 176.35 174.77 1xn5 s SER 70 N 0.19 -0.24 -0.23 3.68 0.15 -0.20 0.19 113.70 117.24 1xn5 s SER 70 Ca -0.01 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.31 1xn5 s SER 70 Cb -0.02 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 1xn5 s SER 70 CO -0.01 -0.70 0.62 0.72 1.20 0.00 0.00 173.24 175.07 1xn5 s PHE 71 N -2.83 -0.71 0.32 3.44 -0.12 -1.17 -3.36 117.98 113.55 1xn5 s PHE 71 Ca -0.03 1.69 -0.09 0.00 -0.05 0.00 0.00 56.93 58.45 1xn5 s PHE 71 Cb -0.00 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.59 1xn5 s PHE 71 CO -0.05 -0.35 0.65 0.95 -0.05 0.00 0.00 175.22 176.37 1xn5 s THR 72 N 0.48 4.87 -0.13 -4.49 -4.23 -0.31 -3.64 115.64 108.20 1xn5 s THR 72 Ca -0.01 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1xn5 s THR 72 Cb -0.05 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1xn5 s THR 72 CO -0.01 -0.30 -0.19 0.86 -0.54 0.00 0.00 174.62 174.43 1xn5 s TRP 73 N -2.09 2.69 0.14 3.99 -0.11 -1.20 -3.19 118.94 119.16 1xn5 s TRP 73 Ca 0.49 -1.00 0.00 0.00 1.22 0.00 0.00 56.10 56.80 1xn5 s TRP 73 Cb -0.11 -1.80 0.00 0.00 -1.50 0.00 0.00 33.47 30.06 1xn5 s TRP 73 CO 0.26 -0.42 0.00 -3.47 -4.62 0.00 0.00 176.95 168.71 1xn5 n ASP 74 N 3.74 -5.72 -0.17 5.86 2.03 0.47 -3.84 116.55 118.93 1xn5 n ASP 74 Ca -0.19 0.66 -0.05 0.00 0.52 0.00 0.00 54.79 55.73 1xn5 n ASP 74 Cb 0.52 -1.86 0.04 0.00 -0.72 0.00 0.00 41.12 39.10 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1xn5 h THR 75 N -0.57 1.00 -0.13 5.18 1.35 -1.97 -3.42 112.91 114.35 1xn5 h THR 75 Ca 0.01 -0.19 0.28 0.00 -0.55 0.00 0.00 66.41 65.96 1xn5 h THR 75 Cb 0.56 0.40 -0.23 0.00 -1.73 0.00 0.00 68.15 67.16 1xn5 h THR 75 CO 0.00 0.10 0.34 -0.62 -0.25 0.00 0.00 175.52 175.10 1xn5 s ASP 76 N -5.54 -0.13 0.00 5.36 2.15 -1.26 -5.11 116.67 112.14 1xn5 s ASP 76 Ca -0.13 0.11 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1xn5 s ASP 76 Cb 0.13 1.12 0.00 0.00 -0.30 0.00 0.00 42.92 43.88 1xn5 s ASP 76 CO 0.74 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 176.32 1xn5 n GLY 77 N 5.22 -0.88 3.69 2.66 0.00 -1.25 -5.11 105.19 109.51 1xn5 n GLY 77 Ca -0.08 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 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 0.27 3.07 0.00 1.61 0.51 -1.26 -4.79 118.94 118.35 1xn5 s TRP 78 Ca 0.00 0.06 0.02 0.00 -2.12 0.00 0.00 56.10 54.06 1xn5 s TRP 78 Cb 0.00 -1.64 -0.01 0.00 -0.81 0.00 0.00 33.47 31.01 1xn5 s TRP 78 CO 0.00 0.47 -0.07 -1.12 -0.51 0.00 0.00 176.95 175.72 1xn5 s SER 79 N -1.76 0.80 -0.00 2.95 0.01 -0.70 -3.26 113.70 111.74 1xn5 s SER 79 Ca 0.21 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.35 1xn5 s SER 79 Cb -0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1xn5 s SER 79 CO 0.13 0.04 -0.17 0.54 0.41 0.00 0.00 173.24 174.18 1xn5 s VAL 80 N -0.33 1.37 -0.05 3.43 0.11 -1.24 -1.18 120.40 122.51 1xn5 s VAL 80 Ca 0.01 -0.82 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 1xn5 s VAL 80 Cb -0.04 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 1xn5 s VAL 80 CO -0.00 0.32 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.00 1xn5 s THR 81 N -0.50 2.55 0.00 5.04 2.01 0.24 -3.03 115.64 121.95 1xn5 s THR 81 Ca 0.06 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1xn5 s THR 81 Cb -0.07 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1xn5 s THR 81 CO -0.00 0.58 0.01 -0.36 -0.69 0.00 0.00 174.62 174.16 1xn5 s PHE 82 N -0.50 3.10 -0.03 4.92 0.08 0.51 -0.38 117.98 125.67 1xn5 s PHE 82 Ca 0.06 0.09 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 1xn5 s PHE 82 Cb -0.11 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1xn5 s PHE 82 CO 0.01 0.47 0.04 -1.01 -0.10 0.00 0.00 175.22 174.63 1xn5 s HIS 83 N -1.11 0.11 0.26 0.36 3.76 0.27 -1.31 115.29 117.63 1xn5 s HIS 83 Ca 0.20 0.16 0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1xn5 s HIS 83 Cb -0.12 -0.40 -0.05 0.00 1.11 0.00 0.00 32.58 33.12 1xn5 s HIS 83 CO 0.11 -0.16 -0.19 -0.51 -0.85 0.00 0.00 174.74 173.14 1xn5 s LEU 84 N 1.65 2.57 -0.30 0.89 1.02 -1.25 -0.89 118.68 122.38 1xn5 s LEU 84 Ca -0.02 -1.01 -0.17 0.00 0.02 0.00 0.00 54.13 52.95 1xn5 s LEU 84 Cb -0.13 -1.04 0.18 0.00 0.02 0.00 0.00 46.19 45.23 1xn5 s LEU 84 CO -0.03 0.01 1.19 -1.59 0.02 0.00 0.00 176.35 175.96 1xn5 s LYS 85 N -3.46 0.10 0.27 1.70 -2.85 -1.07 -3.97 119.74 110.46 1xn5 s LYS 85 Ca 0.28 0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1xn5 s LYS 85 Cb -0.05 0.13 -0.10 0.00 -2.06 0.00 0.00 37.83 35.75 1xn5 s LYS 85 CO 0.13 -0.06 1.43 -2.00 0.10 0.00 0.00 175.35 174.95 1xn5 s GLU 86 N 2.48 4.26 0.00 1.78 -6.30 -1.26 -1.16 118.70 118.51 1xn5 s GLU 86 Ca -0.03 2.32 0.00 0.00 -2.50 0.00 0.00 54.97 54.76 1xn5 s GLU 86 Cb -0.05 -3.09 0.00 0.00 0.00 0.00 0.00 34.13 30.99 1xn5 s GLU 86 CO -0.13 -0.41 0.00 -1.91 0.02 0.00 0.00 175.26 172.83 1xn5 n GLU 87 N 2.02 1.69 0.00 4.30 0.00 0.36 -4.88 120.64 124.13 1xn5 n GLU 87 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1xn5 n GLU 87 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.84 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 -0.50 0.00 -2.75 5.31 1.02 -1.26 -3.75 120.64 118.71 1xn5 n GLU 88 Ca 0.00 0.60 -0.21 0.00 -0.02 0.00 0.00 57.16 57.53 1xn5 n GLU 88 Cb 0.00 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.55 3.22 0.00 1.62 2.85 -1.26 -5.06 115.26 115.08 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 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 40.49 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 -0.20 0.26 3.65 8.20 0.00 -1.25 -4.78 105.19 111.08 1xn5 n GLY 90 Ca 0.27 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 3.98 -0.15 2.61 2.01 -0.65 0.13 115.64 121.57 1xn5 s THR 91 Ca 0.00 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 1xn5 s THR 91 Cb 0.00 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1xn5 s THR 91 CO 0.00 0.43 0.09 -0.63 -0.69 0.00 0.00 174.62 173.82 1xn5 s ILE 92 N -1.01 5.08 -0.14 1.82 -1.09 -0.31 -2.67 121.20 122.88 1xn5 s ILE 92 Ca 0.17 0.06 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1xn5 s ILE 92 Cb -0.11 -3.25 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1xn5 s ILE 92 CO 0.08 0.53 -0.09 0.12 -1.23 0.00 0.00 174.94 174.34 1xn5 s PHE 93 N -0.24 1.78 -0.11 3.97 2.19 -0.44 -2.61 117.98 122.51 1xn5 s PHE 93 Ca 0.09 -1.00 0.01 0.00 0.33 0.00 0.00 56.93 56.36 1xn5 s PHE 93 Cb -0.12 -1.38 0.02 0.00 -1.31 0.00 0.00 43.02 40.23 1xn5 s PHE 93 CO 0.01 -0.59 -0.12 0.99 1.83 0.00 0.00 175.22 177.34 1xn5 s THR 94 N 1.61 1.31 -0.00 0.12 2.01 -0.06 -0.14 115.64 120.48 1xn5 s THR 94 Ca 0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1xn5 s THR 94 Cb -0.13 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1xn5 s THR 94 CO -0.09 0.41 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.69 1xn5 s ILE 95 N 1.32 3.79 -0.25 1.82 -1.16 0.72 -0.57 121.20 126.88 1xn5 s ILE 95 Ca -0.01 -0.71 -0.03 0.00 -0.51 0.00 0.00 60.65 59.40 1xn5 s ILE 95 Cb -0.14 -2.65 0.08 0.00 0.61 0.00 0.00 42.46 40.36 1xn5 s ILE 95 CO -0.06 0.40 0.08 -0.69 -2.81 0.00 0.00 174.94 171.87 1xn5 s VAL 96 N -1.01 0.44 -0.29 4.00 1.01 0.49 -0.61 120.40 124.42 1xn5 s VAL 96 Ca 0.17 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1xn5 s VAL 96 Cb -0.11 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1xn5 s VAL 96 CO 0.08 -0.46 0.08 -2.28 0.00 0.00 0.00 175.10 172.51 1xn5 s HIS 97 N 1.87 3.15 0.15 5.22 5.04 -0.47 0.79 115.29 131.04 1xn5 s HIS 97 Ca 0.05 -1.00 0.03 0.00 -1.54 0.00 0.00 55.06 52.60 1xn5 s HIS 97 Cb -0.17 -2.25 -0.05 0.00 0.04 0.00 0.00 32.58 30.16 1xn5 s HIS 97 CO -0.19 -0.58 -0.04 -1.12 -2.34 0.00 0.00 174.74 170.47 1xn5 s SER 98 N 1.49 1.38 0.00 9.88 0.01 -0.33 -1.47 113.70 124.67 1xn5 s SER 98 Ca 0.02 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1xn5 s SER 98 Cb -0.17 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.13 1xn5 s SER 98 CO 0.02 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1xn5 n GLY 99 N -0.20 0.32 3.41 3.44 0.00 -1.26 -1.72 105.19 109.17 1xn5 n GLY 99 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 1.86 0.00 1.61 0.52 -1.26 -4.65 118.94 116.99 1xn5 s TRP 100 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1xn5 s TRP 100 Cb 0.00 -1.09 0.00 0.00 -1.15 0.00 0.00 33.47 31.23 1xn5 s TRP 100 CO 0.00 0.17 0.00 1.63 0.02 0.00 0.00 176.95 178.77 1xn5 n LYS 101 N -0.55 3.03 -1.93 4.98 5.02 -1.26 -4.79 118.16 122.65 1xn5 n LYS 101 Ca -0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.89 1xn5 n LYS 101 Cb 0.64 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.69 1xn5 n LYS 101 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1xn5 s GLN 102 N 2.40 2.89 -1.08 1.97 -2.07 -1.26 -3.39 119.66 119.12 1xn5 s GLN 102 Ca 0.00 1.73 -0.08 0.00 -1.82 0.00 0.00 55.36 55.19 1xn5 s GLN 102 Cb 0.00 -1.93 -0.11 0.00 -1.09 0.00 0.00 33.01 29.88 1xn5 s GLN 102 CO 0.00 -1.25 2.82 0.41 -1.32 0.00 0.00 175.29 175.95 1xn5 n GLY 103 N 0.31 3.62 2.04 2.60 0.00 -1.26 -3.48 105.19 109.02 1xn5 n GLY 103 Ca 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 3.49 -0.76 -4.77 1.61 2.03 -1.26 -5.04 116.55 111.85 1xn5 n ASP 104 Ca 0.61 0.45 -0.37 0.00 0.52 0.00 0.00 54.79 56.00 1xn5 n ASP 104 Cb 0.34 0.88 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1xn5 s THR 105 N -2.00 2.94 0.00 5.18 -1.32 -1.23 -4.97 115.64 114.24 1xn5 s THR 105 Ca 0.00 0.68 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1xn5 s THR 105 Cb 0.00 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.66 1xn5 s THR 105 CO 0.00 -0.04 0.00 2.29 -2.21 0.00 0.00 174.62 174.66 1xn5 n LYS 106 N -0.76 0.44 -3.15 7.08 2.85 -1.26 -3.85 118.16 119.52 1xn5 n LYS 106 Ca 0.09 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.96 1xn5 n LYS 106 Cb 0.48 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.81 1xn5 n LYS 106 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1xn5 s VAL 107 N -0.18 4.77 -1.14 0.58 1.01 0.67 -4.56 120.40 121.56 1xn5 s VAL 107 Ca 0.00 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 1xn5 s VAL 107 Cb 0.00 -3.99 0.22 0.00 0.00 0.00 0.00 36.38 32.61 1xn5 s VAL 107 CO 0.00 0.45 2.13 1.21 0.00 0.00 0.00 175.10 178.88 1xn5 n GLU 108 N 2.39 4.87 0.02 2.72 2.13 -1.26 -3.80 120.64 127.71 1xn5 n GLU 108 Ca -0.07 -4.00 0.00 0.00 0.66 0.00 0.00 57.16 53.76 1xn5 n GLU 108 Cb 0.50 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.69 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 0.77 0.00 0.00 5.31 4.81 -1.26 -5.02 118.16 122.77 1xn5 n LYS 109 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1xn5 n LYS 109 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 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 -2.52 -0.22 0.00 3.14 0.00 -1.26 -5.00 120.51 114.65 1xn5 n ALA 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xn5 n ALA 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xn5 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xn5 n GLY 111 N 0.50 1.14 3.76 0.00 0.00 -1.25 -5.07 105.19 104.28 1xn5 n GLY 111 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 s ALA 112 N 0.00 1.40 0.08 4.61 0.00 -1.26 -4.56 121.76 122.03 1xn5 s ALA 112 Ca 0.00 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 1xn5 s ALA 112 Cb 0.00 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.25 1xn5 s ALA 112 CO 0.00 -3.09 0.63 -1.21 0.00 0.00 0.00 175.76 172.09 1xn5 s GLU 113 N -5.70 4.32 0.59 0.00 2.02 -1.26 -0.24 118.70 118.43 1xn5 s GLU 113 Ca 0.74 0.85 0.29 0.00 0.02 0.00 0.00 54.97 56.86 1xn5 s GLU 113 Cb -0.06 -3.27 1.49 0.00 0.10 0.00 0.00 34.13 32.40 1xn5 s GLU 113 CO 0.55 0.56 1.91 1.03 0.02 0.00 0.00 175.26 179.32 1xn5 h SER 114 N 4.74 0.00 0.07 -0.19 0.87 -1.80 0.11 113.55 117.34 1xn5 h SER 114 Ca -0.48 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1xn5 h SER 114 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xn5 h SER 114 CO 0.65 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.92 1xn5 h ALA 115 N 1.47 -0.09 -0.61 6.23 0.00 -1.91 0.62 119.26 124.97 1xn5 h ALA 115 Ca 0.19 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xn5 h ALA 115 Cb 1.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1xn5 h ALA 115 CO -0.00 -0.20 0.28 0.28 0.00 0.00 0.00 179.25 179.61 1xn5 h VAL 116 N -0.79 0.86 -0.33 0.00 2.07 -1.28 0.20 116.25 116.98 1xn5 h VAL 116 Ca -0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1xn5 h VAL 116 Cb 0.62 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1xn5 h VAL 116 CO 0.02 0.09 0.07 0.58 0.02 0.00 0.00 177.57 178.35 1xn5 h VAL 117 N 0.51 1.22 -0.38 2.57 2.07 -1.02 0.26 116.25 121.49 1xn5 h VAL 117 Ca 0.29 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1xn5 h VAL 117 Cb 0.29 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1xn5 h VAL 117 CO -0.24 0.25 -0.03 -0.74 0.02 0.00 0.00 177.57 176.83 1xn5 h HIS 118 N 0.37 -0.07 -0.03 1.57 6.17 0.32 0.45 115.15 123.93 1xn5 h HIS 118 Ca 0.10 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.21 1xn5 h HIS 118 Cb 0.31 0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 1xn5 h HIS 118 CO 0.02 -0.10 0.00 0.93 0.71 0.00 0.00 177.93 179.49 1xn5 h GLU 119 N 0.07 0.05 0.15 5.26 5.08 -0.45 0.16 114.58 124.89 1xn5 h GLU 119 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xn5 h GLU 119 Cb 0.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1xn5 h GLU 119 CO -0.33 0.29 -0.34 0.00 -1.00 0.00 0.00 179.01 177.63 1xn5 h ARG 120 N -0.21 -0.51 -0.83 2.33 3.08 0.15 0.86 114.38 119.24 1xn5 h ARG 120 Ca 0.01 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.19 1xn5 h ARG 120 Cb 0.27 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1xn5 h ARG 120 CO 0.00 -0.34 0.47 0.52 -1.07 0.00 0.00 179.97 179.55 1xn5 h MET 121 N -0.53 0.77 -0.67 0.04 2.86 -0.17 -0.82 114.93 116.41 1xn5 h MET 121 Ca -0.01 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1xn5 h MET 121 Cb 0.51 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 31.91 1xn5 h MET 121 CO -0.14 0.51 0.24 0.22 1.06 0.00 0.00 176.91 178.80 1xn5 h ASP 122 N 0.80 0.21 0.52 1.22 3.58 -0.10 1.36 116.42 124.01 1xn5 h ASP 122 Ca 0.40 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.93 1xn5 h ASP 122 Cb 0.36 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1xn5 h ASP 122 CO -0.25 0.11 -0.37 0.03 -2.88 0.00 0.00 179.24 175.88 1xn5 h ARG 123 N 0.40 -0.83 -0.02 0.28 2.47 0.61 0.14 114.38 117.43 1xn5 h ARG 123 Ca 0.35 0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.10 1xn5 h ARG 123 Cb 0.49 0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1xn5 h ARG 123 CO -0.36 -0.55 -0.13 0.78 0.56 0.00 0.00 179.97 180.26 1xn5 h GLY 124 N -0.86 0.04 0.91 0.04 0.00 -0.88 0.45 103.07 102.77 1xn5 h GLY 124 Ca -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1xn5 h GLY 124 CO 0.03 0.02 0.09 1.49 0.00 0.00 0.00 176.54 178.16 1xn5 h TRP 125 N 0.04 0.54 0.37 5.60 4.06 0.24 0.55 115.95 127.34 1xn5 h TRP 125 Ca 0.01 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 1xn5 h TRP 125 Cb 0.26 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1xn5 h TRP 125 CO 0.00 0.55 -0.18 1.25 -3.56 0.00 0.00 178.44 176.50 1xn5 h HIS 126 N 0.37 -0.46 -0.86 0.49 2.76 0.02 0.20 115.15 117.67 1xn5 h HIS 126 Ca 0.10 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.40 1xn5 h HIS 126 Cb 0.27 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.30 1xn5 h HIS 126 CO 0.01 -0.14 0.46 -0.44 -1.30 0.00 0.00 177.93 176.52 1xn5 h ASP 127 N -0.81 0.59 -0.52 3.26 3.32 -0.89 0.35 116.42 121.72 1xn5 h ASP 127 Ca -0.05 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1xn5 h ASP 127 Cb 0.53 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1xn5 h ASP 127 CO 0.08 0.27 0.28 0.25 -1.72 0.00 0.00 179.24 178.40 1xn5 h LEU 128 N 0.68 0.65 -3.91 1.55 5.85 0.23 -2.04 115.31 118.33 1xn5 h LEU 128 Ca 0.46 -0.10 -0.61 0.00 0.84 0.00 0.00 57.88 58.47 1xn5 h LEU 128 Cb 0.60 -0.17 -0.27 0.00 0.37 0.00 0.00 40.66 41.19 1xn5 h LEU 128 CO -0.33 0.56 0.78 0.55 -0.34 0.00 0.00 178.44 179.66 1xn5 n VAL 129 N -4.63 3.45 0.01 1.05 3.14 0.29 -1.13 118.33 120.51 1xn5 n VAL 129 Ca 0.02 -2.62 0.00 0.00 -2.96 0.00 0.00 64.34 58.78 1xn5 n VAL 129 Cb 0.09 -1.12 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 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 -0.75 0.24 -0.00 6.55 4.05 0.97 -4.67 115.26 121.65 1xn5 n ASN 130 Ca 0.57 0.04 -0.00 0.00 0.45 0.00 0.00 54.58 55.64 1xn5 n ASN 130 Cb 0.74 -0.07 -0.00 0.00 1.23 0.00 0.00 39.78 41.68 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1xn5 n GLU 131 N -2.74 2.15 -0.25 1.20 -0.00 -1.13 -4.12 120.64 115.75 1xn5 n GLU 131 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.23 1xn5 n GLU 131 Cb 0.00 -1.02 0.31 0.00 -0.00 0.00 0.00 31.44 30.73 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 0.83 0.06 3.44 2.47 -1.62 0.52 114.38 120.09 1xn5 h ARG 132 Ca -0.02 -0.05 -0.30 0.00 -1.26 0.00 0.00 59.98 58.36 1xn5 h ARG 132 Cb 1.03 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 1xn5 h ARG 132 CO -0.00 0.55 -1.58 1.25 0.56 0.00 0.00 179.97 180.75 1xn5 h LEU 133 N 0.86 0.21 -0.72 3.04 5.85 -1.39 -3.34 115.31 119.82 1xn5 h LEU 133 Ca 0.37 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xn5 h LEU 133 Cb 0.31 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1xn5 h LEU 133 CO -0.14 1.29 0.36 -0.09 -0.34 0.00 0.00 178.44 179.52 1xn5 h ARG 134 N 0.04 1.03 -0.19 1.25 2.43 -1.45 -1.56 114.38 115.93 1xn5 h ARG 134 Ca -0.25 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 58.83 1xn5 h ARG 134 Cb 1.99 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 1xn5 h ARG 134 CO 0.12 0.80 0.14 1.96 -1.51 0.00 0.00 179.97 181.48 1xn5 h GLN 135 N 1.00 0.00 -0.09 0.20 4.20 -0.11 1.54 115.11 121.86 1xn5 h GLN 135 Ca 0.25 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.98 1xn5 h GLN 135 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xn5 h GLN 135 CO -0.03 0.00 0.07 0.82 -0.67 0.00 0.00 178.83 179.02 1xn5 h ILE 136 N 0.00 0.80 0.00 2.54 1.08 -1.39 -1.90 117.51 118.65 1xn5 h ILE 136 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1xn5 h ILE 136 Cb 0.38 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1xn5 h ILE 136 CO -0.00 0.00 -0.96 1.33 -0.69 0.00 0.00 178.15 177.82 1xn5 n VAL 137 N -4.29 0.00 0.70 1.67 0.24 0.66 -5.04 118.33 112.28 1xn5 n VAL 137 Ca -0.01 -0.24 0.08 0.00 -2.04 0.00 0.00 64.34 62.14 1xn5 n VAL 137 Cb 0.18 0.59 0.07 0.00 -1.47 0.00 0.00 33.84 33.22 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07