#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 -4.57 -4.02 1.12 -2.24 -1.26 -4.30 114.28 99.01 1xn5 n THR 2 Ca 0.00 0.84 -0.33 0.00 -2.27 0.00 0.00 64.05 62.28 1xn5 n THR 2 Cb 0.00 -3.94 -0.06 0.00 -2.10 0.00 0.00 70.33 64.23 1xn5 n THR 2 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xn5 s ARG 3 N -0.93 3.22 -0.40 -0.78 3.52 -1.26 0.74 118.95 123.06 1xn5 s ARG 3 Ca -0.02 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.12 1xn5 s ARG 3 Cb 0.00 -2.97 0.08 0.00 -1.56 0.00 0.00 34.95 30.51 1xn5 s ARG 3 CO 0.21 0.67 0.20 -0.51 -0.81 0.00 0.00 175.30 175.06 1xn5 s LEU 4 N -1.74 5.00 0.00 -0.88 1.43 -1.24 -4.75 118.68 116.49 1xn5 s LEU 4 Ca 0.24 -1.62 -0.16 0.00 -1.03 0.00 0.00 54.13 51.55 1xn5 s LEU 4 Cb -0.12 -1.90 0.23 0.00 0.03 0.00 0.00 46.19 44.42 1xn5 s LEU 4 CO 0.15 -0.50 1.04 -0.81 0.23 0.00 0.00 176.35 176.46 1xn5 n PRO 5 N 4.78 -1.95 -2.26 1.29 -0.04 -1.26 -4.60 135.00 130.96 1xn5 n PRO 5 Ca -0.08 -1.63 -0.37 0.00 -0.04 0.00 0.00 63.50 61.38 1xn5 n PRO 5 Cb 0.42 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 1xn5 n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xn5 s ASP 6 N -4.61 6.16 -1.28 3.54 1.01 -1.26 -4.91 116.67 115.32 1xn5 s ASP 6 Ca 0.63 2.30 -0.05 0.00 0.71 0.00 0.00 52.55 56.13 1xn5 s ASP 6 Cb -0.04 -2.60 0.15 0.00 1.01 0.00 0.00 42.92 41.45 1xn5 s ASP 6 CO 0.46 -0.92 2.22 -0.38 0.21 0.00 0.00 175.17 176.76 1xn5 n ILE 7 N -0.52 5.22 -2.90 0.77 5.41 -0.18 -4.96 119.36 122.21 1xn5 n ILE 7 Ca 0.07 -4.57 -0.40 0.00 1.00 0.00 0.00 62.75 58.86 1xn5 n ILE 7 Cb 0.48 -2.06 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 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 -1.34 4.63 0.11 0.38 2.20 -1.26 -3.36 119.74 121.10 1xn5 s LYS 8 Ca 0.50 1.25 -0.02 0.00 -0.36 0.00 0.00 55.97 57.34 1xn5 s LYS 8 Cb 0.17 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 1xn5 s LYS 8 CO -0.08 0.45 0.06 0.15 -0.36 0.00 0.00 175.35 175.57 1xn5 s LYS 9 N -0.77 0.86 -0.18 4.03 3.01 -0.05 -5.01 119.74 121.64 1xn5 s LYS 9 Ca 0.39 -1.34 -0.12 0.00 -1.01 0.00 0.00 55.97 53.88 1xn5 s LYS 9 Cb -0.23 0.25 0.06 0.00 -1.01 0.00 0.00 37.83 36.89 1xn5 s LYS 9 CO 0.27 -0.24 0.46 -2.00 0.51 0.00 0.00 175.35 174.36 1xn5 s GLU 10 N -4.00 0.48 0.13 1.68 -6.30 -1.26 -0.77 118.70 108.66 1xn5 s GLU 10 Ca 0.18 0.79 0.03 0.00 -2.50 0.00 0.00 54.97 53.47 1xn5 s GLU 10 Cb 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 34.13 34.25 1xn5 s GLU 10 CO -0.02 -0.12 -0.06 0.14 0.02 0.00 0.00 175.26 175.21 1xn5 s VAL 11 N 1.02 0.85 -0.15 3.70 -7.23 0.04 -5.02 120.40 113.61 1xn5 s VAL 11 Ca -0.06 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1xn5 s VAL 11 Cb -0.06 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.08 1xn5 s VAL 11 CO -0.09 -0.75 -0.12 -0.60 -0.31 0.00 0.00 175.10 173.23 1xn5 s ARG 12 N -3.82 2.06 0.04 4.82 3.52 -1.26 -1.87 118.95 122.44 1xn5 s ARG 12 Ca 0.16 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 1xn5 s ARG 12 Cb 0.05 -2.08 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 1xn5 s ARG 12 CO -0.01 -0.29 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.02 1xn5 s PHE 13 N 1.52 2.75 -0.50 5.12 0.08 -0.98 -5.01 117.98 120.96 1xn5 s PHE 13 Ca 0.03 -0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 1xn5 s PHE 13 Cb -0.14 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1xn5 s PHE 13 CO -0.10 0.35 0.65 -0.80 -0.10 0.00 0.00 175.22 175.22 1xn5 s ASN 14 N -1.60 6.25 0.00 1.36 0.01 -1.26 -1.28 114.94 118.41 1xn5 s ASN 14 Ca 0.17 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1xn5 s ASN 14 Cb -0.11 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1xn5 s ASN 14 CO 0.08 -0.90 0.00 0.00 -1.51 0.00 0.00 177.10 174.77 1xn5 n ALA 15 N 6.30 0.00 -2.44 0.60 0.00 -1.26 -4.85 120.51 118.85 1xn5 n ALA 15 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1xn5 n ALA 15 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1xn5 n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xn5 s PRO 16 N -2.00 4.35 0.57 0.00 0.04 -1.26 -3.63 135.00 133.07 1xn5 s PRO 16 Ca 0.00 1.70 0.30 0.00 0.04 0.00 0.00 61.00 63.05 1xn5 s PRO 16 Cb 0.00 -3.54 1.45 0.00 0.04 0.00 0.00 34.50 32.45 1xn5 s PRO 16 CO 0.00 -0.44 1.85 0.97 0.04 0.00 0.00 177.00 179.42 1xn5 h ILE 17 N 4.96 0.42 -0.54 0.56 2.10 -1.97 0.42 117.51 123.47 1xn5 h ILE 17 Ca -0.35 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.59 1xn5 h ILE 17 Cb 1.17 0.54 -0.03 0.00 -1.09 0.00 0.00 36.82 37.41 1xn5 h ILE 17 CO 0.88 0.00 0.33 -0.08 -1.08 0.00 0.00 178.15 178.20 1xn5 h GLU 18 N 0.00 0.73 0.49 2.19 4.81 -1.97 0.90 114.58 121.73 1xn5 h GLU 18 Ca 0.33 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1xn5 h GLU 18 Cb 1.56 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1xn5 h GLU 18 CO -0.00 0.52 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.34 1xn5 h LYS 19 N 0.72 -0.63 -0.58 1.92 3.64 -0.56 0.39 116.57 121.47 1xn5 h LYS 19 Ca 0.19 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.73 1xn5 h LYS 19 Cb -0.02 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1xn5 h LYS 19 CO -0.04 -0.32 0.39 0.28 -2.27 0.00 0.00 179.45 177.49 1xn5 h VAL 20 N -0.96 0.85 -0.07 2.00 2.07 -1.34 0.95 116.25 119.75 1xn5 h VAL 20 Ca -0.07 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1xn5 h VAL 20 Cb 0.60 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xn5 h VAL 20 CO 0.11 0.05 -0.70 -0.25 0.02 0.00 0.00 177.57 176.81 1xn5 h TRP 21 N 0.30 0.45 0.00 1.57 -0.00 0.11 -2.23 115.95 116.14 1xn5 h TRP 21 Ca 0.27 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.89 58.88 1xn5 h TRP 21 Cb 0.67 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 29.74 1xn5 h TRP 21 CO -0.00 0.92 -0.41 0.93 -0.00 0.00 0.00 178.44 179.88 1xn5 h GLU 22 N 0.23 0.00 0.00 2.65 5.08 0.43 -1.84 114.58 121.14 1xn5 h GLU 22 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xn5 h GLU 22 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xn5 h GLU 22 CO 0.11 0.41 -0.14 0.00 -1.00 0.00 0.00 179.01 178.39 1xn5 n ALA 23 N -2.23 2.65 -0.68 3.43 0.00 0.28 -2.77 120.51 121.19 1xn5 n ALA 23 Ca 0.01 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1xn5 n ALA 23 Cb 0.64 -1.37 0.09 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.55 1.57 -0.02 0.00 0.24 -0.86 -1.96 118.33 115.74 1xn5 n VAL 24 Ca 0.06 -1.80 -0.03 0.00 -2.04 0.00 0.00 64.34 60.53 1xn5 n VAL 24 Cb 0.35 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.08 3.74 -4.13 -1.34 3.41 -0.72 -4.92 113.62 108.59 1xn5 n SER 25 Ca 0.10 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1xn5 n SER 25 Cb 0.50 0.20 0.07 0.00 -0.26 0.00 0.00 64.21 64.71 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 -2.45 0.00 -0.09 6.66 -2.24 -1.11 -1.59 114.28 113.46 1xn5 n THR 26 Ca -0.08 -1.37 -0.20 0.00 -2.27 0.00 0.00 64.05 60.13 1xn5 n THR 26 Cb 0.62 -0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.66 2.02 -0.26 3.42 7.64 -1.22 -3.36 113.62 119.19 1xn5 n SER 27 Ca 0.13 0.04 -0.00 0.00 1.01 0.00 0.00 58.87 60.04 1xn5 n SER 27 Cb 0.45 -0.62 0.21 0.00 -1.01 0.00 0.00 64.21 63.25 1xn5 n SER 27 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1xn5 h GLU 28 N -0.12 1.08 -0.08 1.43 4.39 -1.91 1.48 114.58 120.85 1xn5 h GLU 28 Ca -0.53 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 58.87 1xn5 h GLU 28 Cb 1.89 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 30.30 1xn5 h GLU 28 CO -0.07 0.72 -0.86 0.78 -1.16 0.00 0.00 179.01 178.42 1xn5 h GLY 29 N 1.12 0.73 0.32 -3.84 0.00 -1.80 -2.58 103.07 97.01 1xn5 h GLY 29 Ca 0.30 -1.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1xn5 h GLY 29 CO -0.07 0.99 -0.14 1.41 0.00 0.00 0.00 176.54 178.73 1xn5 h LEU 30 N 0.42 -0.33 -1.57 3.11 3.38 -0.77 -3.10 115.31 116.44 1xn5 h LEU 30 Ca -0.07 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1xn5 h LEU 30 Cb 1.48 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1xn5 h LEU 30 CO 0.17 0.14 0.62 0.00 0.09 0.00 0.00 178.44 179.46 1xn5 h ALA 31 N -0.99 2.03 0.00 1.53 0.00 0.22 1.86 119.26 123.91 1xn5 h ALA 31 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xn5 h ALA 31 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xn5 h ALA 31 CO 0.06 -0.81 0.00 0.35 0.00 0.00 0.00 179.25 178.86 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.38 -3.34 116.94 115.27 1xn5 h PHE 32 Ca 0.17 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1xn5 h PHE 32 Cb 1.41 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.92 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 -2.85 0.00 0.00 0.41 4.27 0.37 -4.95 117.44 114.69 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 0.07 0.48 0.00 0.00 -1.36 0.00 0.00 31.31 30.50 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 -2.51 0.00 -3.59 -2.67 7.35 0.54 -5.00 117.46 111.58 1xn5 n PHE 34 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 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 -0.02 0.46 0.29 -4.13 -1.94 -1.24 -4.85 119.30 107.88 1xn5 s MET 35 Ca 0.00 -0.20 -0.30 0.00 -1.71 0.00 0.00 55.69 53.48 1xn5 s MET 35 Cb 0.00 0.20 -0.12 0.00 2.01 0.00 0.00 34.83 36.92 1xn5 s MET 35 CO 0.00 -0.21 1.52 0.39 -0.01 0.00 0.00 175.02 176.72 1xn5 n GLU 36 N -0.22 2.52 -2.92 2.03 1.02 -1.26 -2.87 120.64 118.94 1xn5 n GLU 36 Ca -0.03 0.89 -0.06 0.00 -0.02 0.00 0.00 57.16 57.94 1xn5 n GLU 36 Cb 0.60 -2.63 0.02 0.00 -0.02 0.00 0.00 31.44 29.41 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 1.88 -1.54 -0.14 1.62 0.23 -1.26 -2.46 115.26 113.59 1xn5 n ASN 37 Ca 0.08 -2.04 0.02 0.00 -0.53 0.00 0.00 54.58 52.11 1xn5 n ASN 37 Cb 0.36 2.56 0.05 0.00 -2.08 0.00 0.00 39.78 40.67 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 -1.34 2.25 -4.46 0.53 2.03 -1.23 -4.72 116.55 109.61 1xn5 n ASP 38 Ca -0.06 -2.17 -0.43 0.00 0.52 0.00 0.00 54.79 52.66 1xn5 n ASP 38 Cb 0.41 -0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.46 -0.07 -0.85 -2.67 7.94 -1.26 -4.88 117.00 114.75 1xn5 n LEU 39 Ca 0.04 0.97 -0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1xn5 n LEU 39 Cb 0.35 -1.11 -0.01 0.00 0.53 0.00 0.00 43.42 43.18 1xn5 n LEU 39 CO 0.02 -2.76 0.21 1.17 -1.11 0.00 0.00 177.39 174.92 1xn5 n LYS 40 N 0.70 0.00 -3.49 1.96 4.81 -1.22 -3.38 118.16 117.54 1xn5 n LYS 40 Ca 0.12 -1.05 -0.19 0.00 -0.87 0.00 0.00 58.31 56.32 1xn5 n LYS 40 Cb 0.37 -0.10 0.01 0.00 0.02 0.00 0.00 35.03 35.32 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xn5 n ALA 41 N 0.13 -2.67 -3.28 3.14 0.00 -0.62 -4.93 120.51 112.29 1xn5 n ALA 41 Ca -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1xn5 n ALA 41 Cb 0.78 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.92 0.43 0.34 0.00 2.12 -1.26 -4.98 118.70 111.42 1xn5 s GLU 42 Ca 0.07 0.72 -0.27 0.00 0.36 0.00 0.00 54.97 55.84 1xn5 s GLU 42 Cb -0.01 -0.08 -0.12 0.00 0.26 0.00 0.00 34.13 34.17 1xn5 s GLU 42 CO 0.85 -0.63 1.19 -2.37 -0.54 0.00 0.00 175.26 173.76 1xn5 n THR 43 N 5.39 2.08 -1.00 -1.70 5.66 -1.26 -1.03 114.28 122.41 1xn5 n THR 43 Ca -0.03 -0.50 -0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1xn5 n THR 43 Cb 0.50 -1.39 -0.00 0.00 -1.55 0.00 0.00 70.33 67.89 1xn5 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xn5 n GLY 44 N 0.92 0.44 3.76 1.09 0.00 -0.85 -5.00 105.19 105.54 1xn5 n GLY 44 Ca 0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.87 3.91 -0.36 1.61 5.04 -0.20 -4.89 115.29 118.53 1xn5 s HIS 45 Ca 0.00 1.75 -0.03 0.00 -1.54 0.00 0.00 55.06 55.24 1xn5 s HIS 45 Cb 0.00 -2.90 0.08 0.00 0.04 0.00 0.00 32.58 29.80 1xn5 s HIS 45 CO 0.00 0.42 0.13 -3.38 -2.34 0.00 0.00 174.74 169.57 1xn5 s HIS 46 N -0.87 3.42 0.07 3.88 -3.43 -1.26 -1.23 115.29 115.87 1xn5 s HIS 46 Ca 0.40 -2.05 0.09 0.00 -0.80 0.00 0.00 55.06 52.69 1xn5 s HIS 46 Cb -0.24 -2.72 -0.03 0.00 -1.43 0.00 0.00 32.58 28.16 1xn5 s HIS 46 CO 0.29 -0.88 -0.23 -0.59 -2.00 0.00 0.00 174.74 171.33 1xn5 s PHE 47 N 1.23 2.01 0.29 0.38 -0.12 -0.21 -4.99 117.98 116.58 1xn5 s PHE 47 Ca 0.02 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.51 1xn5 s PHE 47 Cb -0.21 -1.16 -0.04 0.00 -0.63 0.00 0.00 43.02 40.98 1xn5 s PHE 47 CO -0.02 0.17 0.49 -1.01 -0.05 0.00 0.00 175.22 174.80 1xn5 s HIS 48 N -0.93 3.49 -0.05 3.49 3.76 -1.26 0.48 115.29 124.27 1xn5 s HIS 48 Ca 0.09 0.34 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 1xn5 s HIS 48 Cb -0.10 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 1xn5 s HIS 48 CO 0.03 0.23 -0.19 -1.17 -0.85 0.00 0.00 174.74 172.79 1xn5 s LEU 49 N -3.94 2.41 -1.01 0.89 2.96 0.95 -3.48 118.68 117.47 1xn5 s LEU 49 Ca 0.39 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1xn5 s LEU 49 Cb -0.10 -1.47 0.28 0.00 0.50 0.00 0.00 46.19 45.40 1xn5 s LEU 49 CO 0.33 0.29 1.16 0.00 -1.32 0.00 0.00 176.35 176.81 1xn5 n GLN 50 N 2.64 3.63 -2.83 1.98 1.13 -1.03 -2.49 117.38 120.41 1xn5 n GLN 50 Ca -0.17 -4.53 -0.26 0.00 -1.94 0.00 0.00 57.00 50.10 1xn5 n GLN 50 Cb 0.52 -2.47 -0.00 0.00 0.11 0.00 0.00 30.24 28.39 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 -0.67 6.23 0.27 1.08 1.04 -1.26 -4.53 113.70 115.87 1xn5 s SER 51 Ca 0.31 0.78 0.13 0.00 0.48 0.00 0.00 55.95 57.65 1xn5 s SER 51 Cb -0.01 -2.15 0.30 0.00 0.10 0.00 0.00 66.02 64.27 1xn5 s SER 51 CO -0.01 -0.53 1.56 1.55 0.98 0.00 0.00 173.24 176.79 1xn5 h PRO 52 N 0.35 0.00 -1.62 4.02 0.13 -2.02 -3.20 132.00 129.65 1xn5 h PRO 52 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 1xn5 h PRO 52 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1xn5 h PRO 52 CO 0.61 0.60 0.34 1.19 -0.23 0.00 0.00 178.00 180.51 1xn5 n PHE 53 N -3.54 1.25 0.00 1.56 3.72 -1.26 -4.92 117.46 114.27 1xn5 n PHE 53 Ca -0.00 -1.79 0.00 0.00 -0.05 0.00 0.00 57.45 55.61 1xn5 n PHE 53 Cb 0.66 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 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 0.58 -0.20 3.74 1.37 0.00 -1.21 -4.98 105.19 104.50 1xn5 n GLY 54 Ca 0.25 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.73 4.58 0.02 1.61 0.04 -1.26 -4.11 135.00 131.16 1xn5 s PRO 55 Ca 0.00 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.81 1xn5 s PRO 55 Cb 0.00 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1xn5 s PRO 55 CO 0.00 0.06 -0.06 -1.12 0.04 0.00 0.00 177.00 175.93 1xn5 s SER 56 N -0.16 0.64 0.80 6.66 0.01 -1.04 -5.00 113.70 115.62 1xn5 s SER 56 Ca 0.49 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 57.31 1xn5 s SER 56 Cb -0.30 -0.00 0.07 0.00 0.21 0.00 0.00 66.02 66.00 1xn5 s SER 56 CO 0.36 -0.10 1.10 -2.16 0.41 0.00 0.00 173.24 172.85 1xn5 s PRO 57 N -0.89 2.04 0.06 12.44 0.04 -1.26 -0.03 135.00 147.39 1xn5 s PRO 57 Ca -0.05 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1xn5 s PRO 57 Cb -0.06 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1xn5 s PRO 57 CO 0.00 -1.65 0.33 0.00 0.04 0.00 0.00 177.00 175.72 1xn5 s GLN 59 N -2.88 0.45 0.03 0.00 0.74 -1.19 -1.04 119.66 115.77 1xn5 s GLN 59 Ca -0.03 0.69 -0.28 0.00 0.05 0.00 0.00 55.36 55.79 1xn5 s GLN 59 Cb 0.00 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 1xn5 s GLN 59 CO -0.05 -0.11 0.90 0.08 -0.55 0.00 0.00 175.29 175.56 1xn5 s VAL 60 N 0.80 4.77 -0.15 1.34 1.01 -0.36 -1.38 120.40 126.43 1xn5 s VAL 60 Ca -0.05 1.91 0.19 0.00 0.00 0.00 0.00 61.98 64.03 1xn5 s VAL 60 Cb -0.06 -4.25 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 1xn5 s VAL 60 CO -0.06 0.25 0.18 0.35 0.00 0.00 0.00 175.10 175.82 1xn5 n THR 61 N 3.42 0.96 -3.63 3.92 -2.24 -1.19 -2.01 114.28 113.50 1xn5 n THR 61 Ca 0.03 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.96 1xn5 n THR 61 Cb 0.50 -0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 -5.13 -0.77 -0.30 3.42 1.11 -1.24 -4.74 116.67 109.03 1xn5 s ASP 62 Ca -0.09 1.39 -0.05 0.00 0.18 0.00 0.00 52.55 53.98 1xn5 s ASP 62 Cb 0.08 1.39 0.19 0.00 1.07 0.00 0.00 42.92 45.64 1xn5 s ASP 62 CO 0.83 -0.23 0.81 0.54 1.18 0.00 0.00 175.17 178.29 1xn5 s VAL 63 N 0.74 -0.67 -0.28 -1.27 0.11 -1.26 -0.67 120.40 117.10 1xn5 s VAL 63 Ca -0.03 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1xn5 s VAL 63 Cb -0.05 -0.90 0.17 0.00 -1.53 0.00 0.00 36.38 34.07 1xn5 s VAL 63 CO -0.06 0.00 0.48 -0.70 -3.33 0.00 0.00 175.10 171.49 1xn5 s GLU 64 N 2.90 0.46 0.45 1.54 2.56 -1.12 -4.39 118.70 121.10 1xn5 s GLU 64 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1xn5 s GLU 64 Cb -0.11 -0.04 0.00 0.00 2.00 0.00 0.00 34.13 35.98 1xn5 s GLU 64 CO -0.19 -0.83 0.00 0.54 -0.56 0.00 0.00 175.26 174.22 1xn5 n ARG 65 N 5.39 -2.73 -1.44 4.30 1.74 -1.26 -4.04 116.66 118.63 1xn5 n ARG 65 Ca -0.00 2.09 -0.43 0.00 -0.77 0.00 0.00 57.85 58.74 1xn5 n ARG 65 Cb 0.51 -3.32 -0.03 0.00 -1.02 0.00 0.00 32.46 28.60 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 -4.02 2.14 0.00 5.56 -0.04 -1.26 -3.56 135.00 133.82 1xn5 n PRO 66 Ca -0.05 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1xn5 n PRO 66 Cb 0.64 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.60 0.00 -3.66 0.52 -6.64 -1.25 -3.83 119.36 110.10 1xn5 n ILE 67 Ca 0.51 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.32 1xn5 n ILE 67 Cb 0.40 -0.31 -0.15 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 -1.71 0.04 -0.06 6.28 2.20 -1.23 -3.88 119.74 121.38 1xn5 s LYS 68 Ca 0.00 0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1xn5 s LYS 68 Cb 0.00 -0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.08 1xn5 s LYS 68 CO 0.00 -0.31 0.12 -1.17 -0.36 0.00 0.00 175.35 173.63 1xn5 s LEU 69 N 2.30 0.40 0.04 5.43 2.96 -0.67 -2.81 118.68 126.32 1xn5 s LEU 69 Ca 0.03 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1xn5 s LEU 69 Cb -0.12 0.18 -0.02 0.00 0.50 0.00 0.00 46.19 46.73 1xn5 s LEU 69 CO -0.06 -0.20 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.16 1xn5 s SER 70 N 1.72 0.73 -0.22 3.68 0.15 0.16 0.19 113.70 120.10 1xn5 s SER 70 Ca -0.03 -0.56 -0.15 0.00 0.70 0.00 0.00 55.95 55.91 1xn5 s SER 70 Cb -0.12 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.31 1xn5 s SER 70 CO -0.05 -0.24 0.56 0.72 1.20 0.00 0.00 173.24 175.44 1xn5 s PHE 71 N -1.49 -0.77 0.29 3.44 -0.71 -1.20 -3.17 117.98 114.37 1xn5 s PHE 71 Ca -0.10 1.66 -0.15 0.00 -1.04 0.00 0.00 56.93 57.30 1xn5 s PHE 71 Cb -0.09 0.37 -0.09 0.00 -1.21 0.00 0.00 43.02 42.00 1xn5 s PHE 71 CO -0.00 -0.39 0.71 0.95 -1.34 0.00 0.00 175.22 175.15 1xn5 s THR 72 N 1.08 4.68 -0.08 -4.49 -4.23 -0.48 -3.93 115.64 108.20 1xn5 s THR 72 Ca -0.06 0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 1xn5 s THR 72 Cb -0.06 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1xn5 s THR 72 CO -0.10 -0.09 0.18 0.86 -0.54 0.00 0.00 174.62 174.92 1xn5 s TRP 73 N -1.87 -0.22 0.07 3.99 -0.00 -1.25 -3.19 118.94 116.47 1xn5 s TRP 73 Ca 0.51 0.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.19 1xn5 s TRP 73 Cb -0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 33.47 33.31 1xn5 s TRP 73 CO 0.18 -0.19 0.00 -3.47 -0.00 0.00 0.00 176.95 173.48 1xn5 n ASP 74 N 4.19 -2.01 -0.69 5.86 -0.08 -1.20 -4.38 116.55 118.24 1xn5 n ASP 74 Ca -0.26 0.31 0.04 0.00 -1.51 0.00 0.00 54.79 53.36 1xn5 n ASP 74 Cb 0.52 -0.86 0.05 0.00 2.34 0.00 0.00 41.12 43.17 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xn5 n THR 75 N -1.53 0.59 -0.02 5.18 -2.24 -1.26 -4.79 114.28 110.21 1xn5 n THR 75 Ca 0.00 -1.03 -0.21 0.00 -2.27 0.00 0.00 64.05 60.53 1xn5 n THR 75 Cb 0.13 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1xn5 h ASP 76 N 0.37 0.31 0.00 3.42 3.58 -2.03 -3.48 116.42 118.59 1xn5 h ASP 76 Ca -0.06 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.58 1xn5 h ASP 76 Cb 1.41 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1xn5 h ASP 76 CO 0.03 1.66 0.00 0.61 -2.88 0.00 0.00 179.24 178.65 1xn5 n GLY 77 N 1.75 0.11 3.09 -0.78 0.00 -1.26 -5.15 105.19 102.94 1xn5 n GLY 77 Ca -0.28 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.05 1.85 -0.07 1.61 0.51 -1.26 -4.61 118.94 116.93 1xn5 s TRP 78 Ca 0.00 -0.74 -0.06 0.00 -2.12 0.00 0.00 56.10 53.19 1xn5 s TRP 78 Cb 0.00 -1.31 0.02 0.00 -0.81 0.00 0.00 33.47 31.38 1xn5 s TRP 78 CO 0.00 -0.34 0.18 -1.54 -0.51 0.00 0.00 176.95 174.74 1xn5 s SER 79 N 0.60 -0.18 -0.02 2.95 1.04 -1.23 -3.74 113.70 113.12 1xn5 s SER 79 Ca -0.15 0.36 0.05 0.00 0.48 0.00 0.00 55.95 56.70 1xn5 s SER 79 Cb -0.16 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1xn5 s SER 79 CO 0.05 -0.09 -0.18 0.54 0.98 0.00 0.00 173.24 174.54 1xn5 s VAL 80 N 0.38 1.43 -0.06 5.02 0.11 -1.25 -2.59 120.40 123.44 1xn5 s VAL 80 Ca -0.02 -0.76 0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1xn5 s VAL 80 Cb -0.04 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1xn5 s VAL 80 CO -0.02 0.40 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.04 1xn5 s THR 81 N -0.34 2.28 0.05 5.04 2.01 0.63 -3.27 115.64 122.04 1xn5 s THR 81 Ca 0.05 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1xn5 s THR 81 Cb -0.08 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1xn5 s THR 81 CO -0.00 0.57 0.11 -0.36 -0.69 0.00 0.00 174.62 174.25 1xn5 s PHE 82 N -0.22 3.30 -0.04 4.92 0.08 0.49 -0.70 117.98 125.81 1xn5 s PHE 82 Ca -0.01 0.15 -0.02 0.00 0.12 0.00 0.00 56.93 57.17 1xn5 s PHE 82 Cb -0.13 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1xn5 s PHE 82 CO 0.03 0.55 0.08 -1.01 -0.10 0.00 0.00 175.22 174.77 1xn5 s HIS 83 N -1.37 -0.02 0.23 0.36 3.76 0.45 -1.67 115.29 117.04 1xn5 s HIS 83 Ca 0.29 0.31 0.12 0.00 -0.15 0.00 0.00 55.06 55.62 1xn5 s HIS 83 Cb -0.12 -0.31 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 1xn5 s HIS 83 CO 0.21 -0.17 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.21 1xn5 s LEU 84 N 1.71 2.51 -0.30 0.89 1.02 -1.25 -0.22 118.68 123.04 1xn5 s LEU 84 Ca -0.02 -0.93 -0.15 0.00 0.02 0.00 0.00 54.13 53.05 1xn5 s LEU 84 Cb -0.12 -1.15 0.17 0.00 0.02 0.00 0.00 46.19 45.11 1xn5 s LEU 84 CO -0.04 0.08 1.05 -1.59 0.02 0.00 0.00 176.35 175.87 1xn5 s LYS 85 N -3.05 0.23 0.44 1.70 -2.85 -0.90 -3.86 119.74 111.45 1xn5 s LYS 85 Ca 0.25 0.56 -0.25 0.00 -1.00 0.00 0.00 55.97 55.53 1xn5 s LYS 85 Cb -0.07 0.33 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 1xn5 s LYS 85 CO 0.12 -0.11 1.35 -2.00 0.10 0.00 0.00 175.35 174.82 1xn5 s GLU 86 N 2.45 3.76 0.11 1.78 -6.30 -1.26 -1.11 118.70 118.13 1xn5 s GLU 86 Ca -0.01 2.25 0.00 0.00 -2.50 0.00 0.00 54.97 54.71 1xn5 s GLU 86 Cb -0.06 -2.65 0.00 0.00 0.00 0.00 0.00 34.13 31.43 1xn5 s GLU 86 CO -0.16 -0.70 0.00 0.39 0.02 0.00 0.00 175.26 174.81 1xn5 n GLU 87 N -0.15 1.72 0.00 4.30 -0.58 0.14 -4.85 120.64 121.23 1xn5 n GLU 87 Ca 0.05 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1xn5 n GLU 87 Cb 0.43 0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1xn5 n GLU 88 N -0.29 0.00 -3.09 3.49 1.02 -1.26 -3.75 120.64 116.77 1xn5 n GLU 88 Ca -0.05 0.64 -0.23 0.00 -0.02 0.00 0.00 57.16 57.50 1xn5 n GLU 88 Cb 0.14 -1.15 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1xn5 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xn5 n ASN 89 N -1.57 2.72 0.00 1.62 3.02 -1.26 -5.06 115.26 114.73 1xn5 n ASN 89 Ca 0.00 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 1xn5 n ASN 89 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1xn5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xn5 n GLY 90 N 0.13 0.61 3.57 7.41 0.00 -1.25 -4.75 105.19 110.91 1xn5 n GLY 90 Ca 0.28 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 3.63 -0.15 2.61 2.01 -0.41 0.28 115.64 121.62 1xn5 s THR 91 Ca 0.00 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1xn5 s THR 91 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1xn5 s THR 91 CO 0.00 0.59 0.15 -0.63 -0.69 0.00 0.00 174.62 174.04 1xn5 s ILE 92 N -0.75 5.45 -0.09 1.82 -1.09 -0.27 -2.32 121.20 123.95 1xn5 s ILE 92 Ca 0.11 0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1xn5 s ILE 92 Cb -0.11 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1xn5 s ILE 92 CO 0.01 0.54 -0.06 0.12 -1.23 0.00 0.00 174.94 174.32 1xn5 s PHE 93 N -0.40 1.23 -0.05 3.97 2.19 -0.78 -2.13 117.98 122.02 1xn5 s PHE 93 Ca 0.12 -0.54 0.05 0.00 0.33 0.00 0.00 56.93 56.89 1xn5 s PHE 93 Cb -0.12 -1.07 -0.00 0.00 -1.31 0.00 0.00 43.02 40.52 1xn5 s PHE 93 CO 0.02 -0.42 -0.19 0.99 1.83 0.00 0.00 175.22 177.45 1xn5 s THR 94 N 1.58 1.57 -0.00 0.12 2.01 0.69 -0.78 115.64 120.83 1xn5 s THR 94 Ca 0.01 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1xn5 s THR 94 Cb -0.13 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1xn5 s THR 94 CO -0.05 0.45 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.59 1xn5 s ILE 95 N 0.03 2.36 -0.16 1.82 -1.16 0.05 -0.41 121.20 123.73 1xn5 s ILE 95 Ca -0.05 -1.10 -0.01 0.00 -0.51 0.00 0.00 60.65 58.98 1xn5 s ILE 95 Cb -0.12 -1.89 0.04 0.00 0.61 0.00 0.00 42.46 41.10 1xn5 s ILE 95 CO 0.03 0.51 -0.03 -0.69 -2.81 0.00 0.00 174.94 171.94 1xn5 s VAL 96 N -0.72 0.97 -0.22 4.00 1.01 0.13 -0.87 120.40 124.71 1xn5 s VAL 96 Ca 0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 1xn5 s VAL 96 Cb -0.10 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1xn5 s VAL 96 CO 0.01 0.08 -0.12 -2.28 0.00 0.00 0.00 175.10 172.79 1xn5 s HIS 97 N 1.69 2.97 0.34 5.22 2.46 -1.21 -0.27 115.29 126.48 1xn5 s HIS 97 Ca 0.01 -1.62 0.09 0.00 0.47 0.00 0.00 55.06 54.00 1xn5 s HIS 97 Cb -0.15 -1.99 -0.06 0.00 -0.13 0.00 0.00 32.58 30.24 1xn5 s HIS 97 CO -0.07 -0.76 -0.08 -1.12 -2.47 0.00 0.00 174.74 170.23 1xn5 s SER 98 N 1.30 3.58 0.00 9.88 0.01 -1.07 -1.01 113.70 126.40 1xn5 s SER 98 Ca 0.01 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1xn5 s SER 98 Cb -0.15 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.75 1xn5 s SER 98 CO -0.08 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1xn5 n GLY 99 N -0.77 0.85 3.12 3.44 0.00 -1.26 -3.53 105.19 107.04 1xn5 n GLY 99 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.26 0.95 0.00 1.61 0.52 -1.26 -4.90 118.94 115.60 1xn5 s TRP 100 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 56.10 55.62 1xn5 s TRP 100 Cb 0.00 -0.55 0.00 0.00 -1.15 0.00 0.00 33.47 31.77 1xn5 s TRP 100 CO 0.00 -0.01 0.00 1.63 0.02 0.00 0.00 176.95 178.59 1xn5 n LYS 101 N 1.28 2.32 -1.18 4.98 5.02 -1.26 -4.92 118.16 124.40 1xn5 n LYS 101 Ca -0.21 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.72 1xn5 n LYS 101 Cb 0.55 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.62 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xn5 n GLN 102 N -0.09 0.18 -2.50 1.97 7.27 -1.26 -3.68 117.38 119.26 1xn5 n GLN 102 Ca 0.00 0.09 -0.43 0.00 0.07 0.00 0.00 57.00 56.73 1xn5 n GLN 102 Cb 0.00 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 30.96 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xn5 n GLY 103 N 1.86 3.41 0.00 1.69 0.00 0.23 -3.37 105.19 109.01 1xn5 n GLY 103 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1xn5 n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xn5 n ASP 104 N 6.65 0.00 -4.56 1.61 8.00 -1.26 -4.83 116.55 122.15 1xn5 n ASP 104 Ca 0.45 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.80 1xn5 n ASP 104 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 1xn5 n ASP 104 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xn5 s THR 105 N 0.00 3.07 0.56 -3.53 -4.23 -1.22 -4.76 115.64 105.54 1xn5 s THR 105 Ca 0.00 -0.07 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 1xn5 s THR 105 Cb 0.00 -3.26 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 1xn5 s THR 105 CO 0.00 -0.14 0.15 1.17 -0.54 0.00 0.00 174.62 175.26 1xn5 n LYS 106 N 8.75 0.22 -2.85 3.99 4.81 -1.26 -4.23 118.16 127.59 1xn5 n LYS 106 Ca 0.45 0.09 -0.22 0.00 -0.87 0.00 0.00 58.31 57.76 1xn5 n LYS 106 Cb 0.44 -1.33 0.02 0.00 0.02 0.00 0.00 35.03 34.18 1xn5 n LYS 106 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xn5 s VAL 107 N -1.88 3.45 -0.20 3.15 1.01 -1.20 -4.84 120.40 119.89 1xn5 s VAL 107 Ca 0.62 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1xn5 s VAL 107 Cb -0.46 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 1xn5 s VAL 107 CO 0.61 -0.19 -0.30 1.21 0.00 0.00 0.00 175.10 176.43 1xn5 n GLU 108 N -2.18 0.48 0.00 2.72 2.13 -1.26 -4.24 120.64 118.29 1xn5 n GLU 108 Ca 0.04 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.07 1xn5 n GLU 108 Cb 0.58 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.97 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 -4.15 0.00 0.00 5.31 4.81 -1.26 -3.87 118.16 119.00 1xn5 n LYS 109 Ca -0.34 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1xn5 n LYS 109 Cb 0.69 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.77 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 -0.84 0.00 0.00 3.14 0.00 -1.26 -4.93 120.51 116.62 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 0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.81 4.24 3.94 0.00 0.00 -1.25 -5.12 105.19 106.20 1xn5 n GLY 111 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 2.96 0.90 4.61 0.00 -1.26 -4.68 121.76 124.29 1xn5 s ALA 112 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 1xn5 s ALA 112 Cb 0.00 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.67 1xn5 s ALA 112 CO 0.00 -1.75 0.78 0.39 0.00 0.00 0.00 175.76 175.19 1xn5 n GLU 113 N -3.21 -0.23 -0.06 0.00 4.71 -1.26 -3.22 120.64 117.37 1xn5 n GLU 113 Ca 0.12 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.16 57.19 1xn5 n GLU 113 Cb 0.60 -2.12 0.10 0.00 -1.01 0.00 0.00 31.44 29.02 1xn5 n GLU 113 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1xn5 h SER 114 N -1.48 0.73 -0.43 1.62 0.87 -1.86 -2.25 113.55 110.74 1xn5 h SER 114 Ca -0.44 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 59.80 1xn5 h SER 114 Cb 1.29 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 1xn5 h SER 114 CO 0.39 0.95 0.07 0.00 -0.53 0.00 0.00 176.83 177.71 1xn5 h ALA 115 N 1.10 1.18 0.42 6.23 0.00 -1.90 0.69 119.26 126.99 1xn5 h ALA 115 Ca 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1xn5 h ALA 115 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xn5 h ALA 115 CO 0.06 0.55 -0.20 0.28 0.00 0.00 0.00 179.25 179.93 1xn5 h VAL 116 N 0.76 0.58 -0.50 0.00 2.07 -1.82 -1.29 116.25 116.04 1xn5 h VAL 116 Ca 0.16 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1xn5 h VAL 116 Cb 0.36 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1xn5 h VAL 116 CO 0.01 0.04 0.23 0.58 0.02 0.00 0.00 177.57 178.45 1xn5 h VAL 117 N -0.70 1.20 -0.54 2.57 2.07 -1.22 0.18 116.25 119.80 1xn5 h VAL 117 Ca -0.06 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 66.99 1xn5 h VAL 117 Cb 0.51 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1xn5 h VAL 117 CO 0.10 0.22 -0.26 -0.74 0.02 0.00 0.00 177.57 176.91 1xn5 h HIS 118 N 0.67 -0.66 -0.05 1.57 6.17 0.53 1.40 115.15 124.78 1xn5 h HIS 118 Ca 0.17 0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.30 1xn5 h HIS 118 Cb 0.14 0.37 -0.00 0.00 2.52 0.00 0.00 27.41 30.44 1xn5 h HIS 118 CO -0.00 -0.33 -0.02 0.93 0.71 0.00 0.00 177.93 179.21 1xn5 h GLU 119 N -0.13 0.11 0.20 5.26 5.08 -0.93 0.13 114.58 124.29 1xn5 h GLU 119 Ca 0.24 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xn5 h GLU 119 Cb 0.51 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xn5 h GLU 119 CO -0.61 0.47 -0.26 0.00 -1.00 0.00 0.00 179.01 177.60 1xn5 h ARG 120 N -0.26 -0.46 -0.28 2.33 3.08 0.50 0.66 114.38 119.94 1xn5 h ARG 120 Ca 0.01 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1xn5 h ARG 120 Cb 0.44 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1xn5 h ARG 120 CO 0.01 -0.31 -0.04 0.52 -1.07 0.00 0.00 179.97 179.08 1xn5 h MET 121 N -0.48 0.03 -0.13 0.04 2.86 0.18 -1.40 114.93 116.04 1xn5 h MET 121 Ca -0.02 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1xn5 h MET 121 Cb 0.43 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 1xn5 h MET 121 CO -0.07 0.02 -0.31 0.22 1.06 0.00 0.00 176.91 177.83 1xn5 h ASP 122 N 0.03 -0.98 -0.17 1.22 1.82 -0.54 1.33 116.42 119.14 1xn5 h ASP 122 Ca 0.14 0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.95 1xn5 h ASP 122 Cb 0.20 0.42 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1xn5 h ASP 122 CO -0.27 -0.35 -0.44 0.03 -1.61 0.00 0.00 179.24 176.59 1xn5 h ARG 123 N -0.39 -0.42 0.00 0.28 3.08 0.88 0.25 114.38 118.06 1xn5 h ARG 123 Ca 0.09 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1xn5 h ARG 123 Cb 0.54 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xn5 h ARG 123 CO -0.35 -0.28 -0.01 0.78 -1.07 0.00 0.00 179.97 179.04 1xn5 h GLY 124 N -0.43 0.00 0.93 0.04 0.00 -0.82 0.14 103.07 102.92 1xn5 h GLY 124 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1xn5 h GLY 124 CO -0.39 0.00 -0.26 1.49 0.00 0.00 0.00 176.54 177.39 1xn5 h TRP 125 N 0.00 -0.66 0.10 5.60 4.06 0.47 1.38 115.95 126.89 1xn5 h TRP 125 Ca -0.00 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 1xn5 h TRP 125 Cb 0.02 0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1xn5 h TRP 125 CO 0.00 -0.38 -0.05 1.25 -3.56 0.00 0.00 178.44 175.70 1xn5 h HIS 126 N -0.80 -0.13 -0.94 0.49 2.76 -0.04 -0.32 115.15 116.16 1xn5 h HIS 126 Ca -0.07 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.19 1xn5 h HIS 126 Cb 0.58 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 29.51 1xn5 h HIS 126 CO -0.02 0.07 0.58 -0.44 -1.30 0.00 0.00 177.93 176.82 1xn5 h ASP 127 N -0.30 0.87 0.45 3.26 3.32 -0.68 0.70 116.42 124.03 1xn5 h ASP 127 Ca -0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1xn5 h ASP 127 Cb 0.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xn5 h ASP 127 CO 0.02 0.49 -0.22 0.25 -1.72 0.00 0.00 179.24 178.06 1xn5 h LEU 128 N 0.97 -0.54 -3.59 1.55 5.85 0.22 -2.23 115.31 117.54 1xn5 h LEU 128 Ca 0.45 0.02 -0.37 0.00 0.84 0.00 0.00 57.88 58.83 1xn5 h LEU 128 Cb 0.38 0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.40 1xn5 h LEU 128 CO -0.24 -0.38 0.46 0.55 -0.34 0.00 0.00 178.44 178.49 1xn5 n VAL 129 N -5.36 2.89 0.01 1.05 3.14 -0.16 -0.99 118.33 118.91 1xn5 n VAL 129 Ca -0.11 -1.85 0.00 0.00 -2.96 0.00 0.00 64.34 59.41 1xn5 n VAL 129 Cb 0.26 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.70 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 0.28 0.25 0.00 6.55 3.02 0.15 -4.66 115.26 120.85 1xn5 n ASN 130 Ca 0.34 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1xn5 n ASN 130 Cb 0.58 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xn5 n GLU 131 N -2.74 2.13 -0.25 3.52 0.28 -1.13 -4.10 120.64 118.35 1xn5 n GLU 131 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1xn5 n GLU 131 Cb 0.00 -0.98 0.29 0.00 1.43 0.00 0.00 31.44 32.17 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xn5 h ARG 132 N 0.00 0.88 0.13 3.44 2.47 -1.59 0.29 114.38 120.01 1xn5 h ARG 132 Ca 0.00 -0.05 -0.31 0.00 -1.26 0.00 0.00 59.98 58.36 1xn5 h ARG 132 Cb 0.97 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1xn5 h ARG 132 CO 0.00 0.58 -1.61 1.25 0.56 0.00 0.00 179.97 180.76 1xn5 h LEU 133 N 0.91 0.43 -1.58 3.04 5.85 -1.33 -3.34 115.31 119.30 1xn5 h LEU 133 Ca 0.36 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 58.35 1xn5 h LEU 133 Cb 0.24 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1xn5 h LEU 133 CO -0.13 1.71 0.50 -0.09 -0.34 0.00 0.00 178.44 180.09 1xn5 h ARG 134 N -0.16 0.40 0.00 1.25 2.43 -1.61 0.40 114.38 117.09 1xn5 h ARG 134 Ca -0.34 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 1xn5 h ARG 134 Cb 1.88 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 1xn5 h ARG 134 CO 0.08 0.27 -0.18 0.37 -1.51 0.00 0.00 179.97 179.00 1xn5 h GLN 135 N 0.42 0.00 0.00 0.20 4.15 -0.55 1.46 115.11 120.79 1xn5 h GLN 135 Ca 0.37 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1xn5 h GLN 135 Cb 0.84 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 1xn5 h GLN 135 CO -0.12 0.18 -0.01 0.82 -1.93 0.00 0.00 178.83 177.77 1xn5 h ILE 136 N 0.00 0.34 0.00 2.39 1.08 -0.32 -2.64 117.51 118.36 1xn5 h ILE 136 Ca -0.00 -0.08 -0.18 0.00 -0.39 0.00 0.00 64.86 64.21 1xn5 h ILE 136 Cb 0.32 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1xn5 h ILE 136 CO 0.02 0.01 -1.67 1.33 -0.69 0.00 0.00 178.15 177.16 1xn5 n VAL 137 N -3.55 0.67 1.54 1.67 0.24 -0.25 -5.04 118.33 113.61 1xn5 n VAL 137 Ca -0.03 -0.37 0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1xn5 n VAL 137 Cb 0.10 -0.80 0.56 0.00 -1.47 0.00 0.00 33.84 32.24 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07