#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 -1.75 -2.29 2.03 -1.04 -1.26 -4.94 114.28 105.04 1xn5 n THR 2 Ca 0.00 1.08 -0.27 0.00 -2.04 0.00 0.00 64.05 62.82 1xn5 n THR 2 Cb 0.00 -1.73 0.16 0.00 -1.82 0.00 0.00 70.33 66.94 1xn5 n THR 2 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xn5 s ARG 3 N -4.74 1.04 -0.31 -2.82 0.52 -1.26 -4.09 118.95 107.29 1xn5 s ARG 3 Ca 0.00 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.19 1xn5 s ARG 3 Cb 0.00 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 1xn5 s ARG 3 CO 0.00 -2.00 0.44 -0.51 0.02 0.00 0.00 175.30 173.25 1xn5 s LEU 4 N -5.54 4.24 0.00 2.53 1.43 -1.25 -4.68 118.68 115.41 1xn5 s LEU 4 Ca 0.71 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1xn5 s LEU 4 Cb -0.04 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1xn5 s LEU 4 CO 0.49 -0.34 0.00 -0.81 0.23 0.00 0.00 176.35 175.92 1xn5 n PRO 5 N 5.52 0.35 -3.38 1.29 -0.04 -1.26 -4.82 135.00 132.66 1xn5 n PRO 5 Ca -0.07 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.01 1xn5 n PRO 5 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.25 6.82 -0.97 3.54 1.01 -1.26 -4.93 116.67 119.63 1xn5 s ASP 6 Ca 0.00 0.97 -0.08 0.00 0.71 0.00 0.00 52.55 54.15 1xn5 s ASP 6 Cb 0.00 -2.29 -0.07 0.00 1.01 0.00 0.00 42.92 41.57 1xn5 s ASP 6 CO 0.00 0.19 2.16 -0.38 0.21 0.00 0.00 175.17 177.35 1xn5 n ILE 7 N 2.52 2.54 -3.45 0.77 5.41 -0.54 -4.84 119.36 121.77 1xn5 n ILE 7 Ca -0.10 -1.61 -0.39 0.00 1.00 0.00 0.00 62.75 61.65 1xn5 n ILE 7 Cb 0.52 -2.21 -0.10 0.00 -0.71 0.00 0.00 39.64 37.14 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 3.52 3.97 0.25 0.38 2.20 -1.26 -2.86 119.74 125.93 1xn5 s LYS 8 Ca 0.45 -0.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 1xn5 s LYS 8 Cb 0.11 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1xn5 s LYS 8 CO -0.02 -0.26 -0.01 0.15 -0.36 0.00 0.00 175.35 174.86 1xn5 s LYS 9 N 1.97 1.41 -0.14 4.03 -0.14 -0.76 -4.99 119.74 121.12 1xn5 s LYS 9 Ca 0.12 -1.72 -0.09 0.00 -1.36 0.00 0.00 55.97 52.92 1xn5 s LYS 9 Cb -0.16 -0.73 0.05 0.00 -1.68 0.00 0.00 37.83 35.31 1xn5 s LYS 9 CO 0.10 -0.08 0.35 -2.00 -0.76 0.00 0.00 175.35 172.96 1xn5 s GLU 10 N -3.84 0.35 0.05 1.68 -6.30 -1.26 -1.00 118.70 108.38 1xn5 s GLU 10 Ca 0.30 0.64 0.02 0.00 -2.50 0.00 0.00 54.97 53.43 1xn5 s GLU 10 Cb 0.06 0.01 -0.03 0.00 0.00 0.00 0.00 34.13 34.17 1xn5 s GLU 10 CO 0.10 -0.13 -0.08 0.14 0.02 0.00 0.00 175.26 175.31 1xn5 s VAL 11 N 1.04 0.59 -0.13 3.70 -7.23 -0.37 -5.02 120.40 112.98 1xn5 s VAL 11 Ca -0.07 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1xn5 s VAL 11 Cb -0.07 -0.85 -0.01 0.00 0.56 0.00 0.00 36.38 36.01 1xn5 s VAL 11 CO -0.08 -0.48 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.46 1xn5 s ARG 12 N -2.06 3.23 0.07 4.82 3.52 -1.26 -2.04 118.95 125.23 1xn5 s ARG 12 Ca -0.05 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 54.85 1xn5 s ARG 12 Cb -0.07 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 1xn5 s ARG 12 CO -0.01 0.14 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.38 1xn5 s PHE 13 N 0.49 1.62 -0.44 5.12 0.08 -1.16 -5.05 117.98 118.65 1xn5 s PHE 13 Ca -0.12 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.30 1xn5 s PHE 13 Cb -0.16 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1xn5 s PHE 13 CO 0.05 0.13 0.75 1.21 -0.10 0.00 0.00 175.22 177.26 1xn5 s ASN 14 N -1.59 6.41 0.00 1.36 2.47 -1.26 -2.39 114.94 119.94 1xn5 s ASN 14 Ca 0.05 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1xn5 s ASN 14 Cb -0.09 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 1xn5 s ASN 14 CO 0.03 -0.87 0.00 0.00 -3.72 0.00 0.00 177.10 172.54 1xn5 n ALA 15 N 6.59 0.00 -2.44 1.71 0.00 -1.26 -4.83 120.51 120.29 1xn5 n ALA 15 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1xn5 n ALA 15 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 4.33 0.55 0.00 0.04 -1.26 -3.68 135.00 132.98 1xn5 s PRO 16 Ca 0.00 1.69 0.31 0.00 0.04 0.00 0.00 61.00 63.05 1xn5 s PRO 16 Cb 0.00 -3.59 1.47 0.00 0.04 0.00 0.00 34.50 32.43 1xn5 s PRO 16 CO 0.00 -0.49 1.87 0.97 0.04 0.00 0.00 177.00 179.39 1xn5 h ILE 17 N 5.07 0.49 -0.17 0.56 2.10 -1.97 0.94 117.51 124.53 1xn5 h ILE 17 Ca -0.33 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.65 1xn5 h ILE 17 Cb 1.15 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1xn5 h ILE 17 CO 0.89 0.00 0.12 -0.08 -1.08 0.00 0.00 178.15 178.00 1xn5 h GLU 18 N 0.00 0.04 0.00 2.19 4.81 -1.98 1.00 114.58 120.64 1xn5 h GLU 18 Ca 0.39 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1xn5 h GLU 18 Cb 1.68 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.04 1xn5 h GLU 18 CO -0.00 0.03 -0.64 -0.22 -0.73 0.00 0.00 179.01 177.44 1xn5 h LYS 19 N 0.04 0.00 -0.84 1.92 3.64 0.52 -3.11 116.57 118.74 1xn5 h LYS 19 Ca 0.08 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.65 1xn5 h LYS 19 Cb 0.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 1xn5 h LYS 19 CO -0.00 0.36 0.56 0.28 -2.27 0.00 0.00 179.45 178.38 1xn5 h VAL 20 N -1.00 0.70 0.43 2.00 2.07 -1.20 0.54 116.25 119.79 1xn5 h VAL 20 Ca -0.11 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1xn5 h VAL 20 Cb 0.71 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1xn5 h VAL 20 CO -0.06 0.06 -0.21 -0.25 0.02 0.00 0.00 177.57 177.13 1xn5 h TRP 21 N 0.34 -0.54 0.00 1.57 -0.00 0.90 -2.33 115.95 115.89 1xn5 h TRP 21 Ca 0.42 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.30 1xn5 h TRP 21 Cb 1.13 0.18 -0.00 0.00 -0.00 0.00 0.00 29.16 30.47 1xn5 h TRP 21 CO -0.00 -0.23 -0.00 1.49 -0.00 0.00 0.00 178.44 179.70 1xn5 h GLU 22 N -0.82 0.00 0.00 2.65 4.81 -0.91 0.48 114.58 120.79 1xn5 h GLU 22 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1xn5 h GLU 22 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1xn5 h GLU 22 CO 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.38 1xn5 h ALA 23 N 2.00 1.00 0.00 2.92 0.00 0.43 -0.17 119.26 125.44 1xn5 h ALA 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xn5 h ALA 23 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xn5 h ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 1xn5 n VAL 24 N -2.54 0.90 -0.03 0.00 0.24 0.13 -2.27 118.33 114.77 1xn5 n VAL 24 Ca 0.02 -0.94 -0.01 0.00 -2.04 0.00 0.00 64.34 61.37 1xn5 n VAL 24 Cb 0.31 0.55 -0.06 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.45 3.18 -4.82 -1.34 3.41 0.79 -4.88 113.62 109.51 1xn5 n SER 25 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1xn5 n SER 25 Cb 0.24 0.90 0.09 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.30 2.19 -0.23 6.66 -4.23 -0.12 -1.90 115.64 115.72 1xn5 s THR 26 Ca -0.03 -0.76 -0.15 0.00 -1.18 0.00 0.00 61.69 59.57 1xn5 s THR 26 Cb 0.03 -2.43 -0.17 0.00 1.34 0.00 0.00 72.50 71.27 1xn5 s THR 26 CO 0.31 0.00 -0.01 -1.20 -0.54 0.00 0.00 174.62 173.18 1xn5 n SER 27 N -2.57 1.94 -0.28 3.99 7.64 -1.23 -3.37 113.62 119.74 1xn5 n SER 27 Ca 0.15 0.32 -0.04 0.00 1.01 0.00 0.00 58.87 60.31 1xn5 n SER 27 Cb 0.61 -0.86 0.11 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.80 1.15 -0.53 1.43 4.39 -1.91 0.50 114.58 118.82 1xn5 h GLU 28 Ca -0.51 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 58.90 1xn5 h GLU 28 Cb 1.55 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1xn5 h GLU 28 CO -0.25 0.89 -0.13 0.78 -1.16 0.00 0.00 179.01 179.14 1xn5 h GLY 29 N 1.16 1.10 0.45 -3.84 0.00 -1.81 -0.81 103.07 99.32 1xn5 h GLY 29 Ca 0.27 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1xn5 h GLY 29 CO -0.03 0.83 -0.10 1.41 0.00 0.00 0.00 176.54 178.65 1xn5 h LEU 30 N 0.90 -0.25 -1.99 3.11 3.38 -1.01 -2.86 115.31 116.60 1xn5 h LEU 30 Ca 0.13 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xn5 h LEU 30 Cb 0.70 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1xn5 h LEU 30 CO 0.05 0.25 0.14 0.00 0.09 0.00 0.00 178.44 178.96 1xn5 h ALA 31 N -0.32 1.12 0.00 1.53 0.00 0.22 1.61 119.26 123.43 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 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xn5 h ALA 31 CO 0.05 -0.12 -0.01 0.35 0.00 0.00 0.00 179.25 179.52 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -0.89 -3.35 116.94 115.74 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 0.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1xn5 h PHE 32 CO 0.00 0.01 -0.12 -2.67 -2.02 0.00 0.00 178.31 173.51 1xn5 n TRP 33 N -3.15 0.00 0.00 0.41 4.27 0.74 -4.96 117.44 114.75 1xn5 n TRP 33 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 1xn5 n TRP 33 Cb 0.14 0.41 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 -2.49 0.00 -3.62 -2.67 7.35 0.52 -4.96 117.46 111.58 1xn5 n PHE 34 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1xn5 n PHE 34 Cb 0.06 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.87 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 -0.04 0.63 0.40 -4.13 -1.94 -1.22 -4.87 119.30 108.13 1xn5 s MET 35 Ca 0.00 -0.30 -0.27 0.00 -1.71 0.00 0.00 55.69 53.41 1xn5 s MET 35 Cb 0.00 0.24 -0.10 0.00 2.01 0.00 0.00 34.83 36.98 1xn5 s MET 35 CO 0.00 -0.28 1.43 0.39 -0.01 0.00 0.00 175.02 176.55 1xn5 n GLU 36 N -0.33 2.43 -3.48 2.03 1.02 -1.26 -2.66 120.64 118.39 1xn5 n GLU 36 Ca -0.06 0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 57.91 1xn5 n GLU 36 Cb 0.61 -2.60 0.02 0.00 -0.02 0.00 0.00 31.44 29.45 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 0.27 -1.52 -0.27 1.62 0.23 -1.26 -2.89 115.26 111.44 1xn5 n ASN 37 Ca 0.03 -1.83 0.07 0.00 -0.53 0.00 0.00 54.58 52.32 1xn5 n ASN 37 Cb 0.39 2.48 0.11 0.00 -2.08 0.00 0.00 39.78 40.68 1xn5 n ASN 37 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xn5 n ASP 38 N -1.21 1.71 -4.64 0.53 9.92 -1.25 -4.77 116.55 116.84 1xn5 n ASP 38 Ca -0.02 -2.88 -0.35 0.00 -0.53 0.00 0.00 54.79 51.01 1xn5 n ASP 38 Cb 0.49 -0.38 0.10 0.00 -0.64 0.00 0.00 41.12 40.69 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xn5 n LEU 39 N -1.02 3.77 -0.70 0.64 0.00 -1.26 -4.85 117.00 113.58 1xn5 n LEU 39 Ca 0.12 0.63 -0.00 0.00 0.00 0.00 0.00 56.01 56.76 1xn5 n LEU 39 Cb 0.68 -1.44 -0.00 0.00 0.00 0.00 0.00 43.42 42.65 1xn5 n LEU 39 CO 0.00 -1.95 0.23 0.29 0.00 0.00 0.00 177.39 175.97 1xn5 n LYS 40 N -2.33 0.00 -3.48 1.96 5.02 -1.25 -3.48 118.16 114.60 1xn5 n LYS 40 Ca 0.13 -0.87 -0.19 0.00 -2.02 0.00 0.00 58.31 55.36 1xn5 n LYS 40 Cb 0.50 -0.19 0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1xn5 n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n ALA 41 N 0.08 -2.59 -3.73 7.82 0.00 -0.80 -4.91 120.51 116.38 1xn5 n ALA 41 Ca -0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1xn5 n ALA 41 Cb 0.71 -2.78 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 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 -4.74 0.06 0.45 0.00 2.12 -1.26 -4.92 118.70 110.41 1xn5 s GLU 42 Ca 0.23 0.40 -0.24 0.00 0.36 0.00 0.00 54.97 55.72 1xn5 s GLU 42 Cb -0.07 -0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.02 1xn5 s GLU 42 CO 0.83 -0.21 1.28 -0.08 -0.54 0.00 0.00 175.26 176.54 1xn5 s THR 43 N 1.46 2.65 -1.52 -1.70 -1.32 -1.26 -2.59 115.64 111.36 1xn5 s THR 43 Ca -0.06 0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 60.95 1xn5 s THR 43 Cb -0.12 -3.29 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 1xn5 s THR 43 CO -0.06 0.04 0.08 0.61 -2.21 0.00 0.00 174.62 173.08 1xn5 n GLY 44 N 0.62 -0.38 3.95 6.08 0.00 -1.14 -4.99 105.19 109.33 1xn5 n GLY 44 Ca 0.06 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.93 2.72 -0.22 1.61 2.46 -1.07 -4.95 115.29 112.91 1xn5 s HIS 45 Ca 0.04 0.23 -0.04 0.00 0.47 0.00 0.00 55.06 55.76 1xn5 s HIS 45 Cb -0.02 -3.09 0.08 0.00 -0.13 0.00 0.00 32.58 29.42 1xn5 s HIS 45 CO 0.05 -1.33 0.09 -3.38 -2.47 0.00 0.00 174.74 167.70 1xn5 s HIS 46 N -3.12 0.48 0.00 3.88 -3.43 -1.26 -3.55 115.29 108.30 1xn5 s HIS 46 Ca 0.60 -0.69 0.02 0.00 -0.80 0.00 0.00 55.06 54.19 1xn5 s HIS 46 Cb -0.10 -0.89 -0.01 0.00 -1.43 0.00 0.00 32.58 30.16 1xn5 s HIS 46 CO 0.43 -0.66 -0.05 -0.59 -2.00 0.00 0.00 174.74 171.87 1xn5 s PHE 47 N 2.04 0.47 0.65 0.38 -0.71 -1.12 -4.99 117.98 114.70 1xn5 s PHE 47 Ca 0.04 -0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 55.74 1xn5 s PHE 47 Cb -0.16 -0.30 0.04 0.00 -1.21 0.00 0.00 43.02 41.39 1xn5 s PHE 47 CO -0.19 -0.02 0.95 -1.01 -1.34 0.00 0.00 175.22 173.62 1xn5 s HIS 48 N -0.28 3.00 -0.08 3.49 3.76 -1.26 -0.60 115.29 123.32 1xn5 s HIS 48 Ca 0.00 0.44 -0.00 0.00 -0.15 0.00 0.00 55.06 55.35 1xn5 s HIS 48 Cb -0.03 -3.01 0.02 0.00 1.11 0.00 0.00 32.58 30.67 1xn5 s HIS 48 CO -0.00 -1.18 -0.04 -1.17 -0.85 0.00 0.00 174.74 171.50 1xn5 s LEU 49 N -5.12 0.98 -1.16 0.89 2.96 -0.33 -3.78 118.68 113.12 1xn5 s LEU 49 Ca 0.58 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1xn5 s LEU 49 Cb -0.11 -0.58 0.24 0.00 0.50 0.00 0.00 46.19 46.24 1xn5 s LEU 49 CO 0.44 -0.13 1.38 0.00 -1.32 0.00 0.00 176.35 176.72 1xn5 n GLN 50 N 4.78 3.67 -2.67 1.98 1.13 -1.14 -2.03 117.38 123.11 1xn5 n GLN 50 Ca -0.13 -4.18 -0.26 0.00 -1.94 0.00 0.00 57.00 50.49 1xn5 n GLN 50 Cb 0.50 -2.74 0.01 0.00 0.11 0.00 0.00 30.24 28.13 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 1.14 5.90 0.01 1.08 1.04 -1.25 -4.46 113.70 117.15 1xn5 s SER 51 Ca 0.36 0.67 0.22 0.00 0.48 0.00 0.00 55.95 57.67 1xn5 s SER 51 Cb -0.03 -1.86 0.93 0.00 0.10 0.00 0.00 66.02 65.16 1xn5 s SER 51 CO -0.01 -0.78 1.70 -0.81 0.98 0.00 0.00 173.24 174.32 1xn5 n PRO 52 N -2.32 0.01 -1.27 4.02 -0.04 -1.26 -2.87 135.00 131.27 1xn5 n PRO 52 Ca 0.02 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 1xn5 n PRO 52 Cb 0.57 -1.51 0.13 0.00 -0.04 0.00 0.00 33.50 32.65 1xn5 n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xn5 n PHE 53 N -1.52 2.56 0.00 0.54 7.35 -1.26 -5.03 117.46 120.10 1xn5 n PHE 53 Ca 0.05 -2.22 0.00 0.00 -0.76 0.00 0.00 57.45 54.52 1xn5 n PHE 53 Cb 0.26 -0.90 0.00 0.00 0.35 0.00 0.00 39.48 39.18 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xn5 n GLY 54 N -1.01 0.21 3.76 7.13 0.00 -1.14 -4.99 105.19 109.16 1xn5 n GLY 54 Ca 0.52 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.96 4.61 -0.02 1.61 0.04 -1.26 -3.91 135.00 132.11 1xn5 s PRO 55 Ca 0.00 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 1xn5 s PRO 55 Cb 0.00 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1xn5 s PRO 55 CO 0.00 0.21 0.04 -1.12 0.04 0.00 0.00 177.00 176.17 1xn5 s SER 56 N -0.98 -0.01 -0.11 6.66 0.01 -0.86 -4.99 113.70 113.41 1xn5 s SER 56 Ca 0.45 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.50 1xn5 s SER 56 Cb -0.30 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1xn5 s SER 56 CO 0.39 -0.06 1.25 -2.16 0.41 0.00 0.00 173.24 173.07 1xn5 s PRO 57 N 0.43 4.28 0.27 12.44 0.04 -1.26 -1.19 135.00 150.00 1xn5 s PRO 57 Ca -0.03 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.75 1xn5 s PRO 57 Cb -0.05 -3.68 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 1xn5 s PRO 57 CO -0.01 -0.60 0.29 0.00 0.04 0.00 0.00 177.00 176.71 1xn5 s GLN 59 N -3.94 0.45 0.24 0.00 0.74 -0.73 -2.80 119.66 113.61 1xn5 s GLN 59 Ca 0.35 0.70 -0.24 0.00 0.05 0.00 0.00 55.36 56.22 1xn5 s GLN 59 Cb -0.08 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.05 1xn5 s GLN 59 CO 0.27 -0.11 0.83 0.08 -0.55 0.00 0.00 175.29 175.81 1xn5 s VAL 60 N 0.83 4.35 -0.09 1.34 1.01 -1.23 0.17 120.40 126.77 1xn5 s VAL 60 Ca -0.05 1.66 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1xn5 s VAL 60 Cb -0.06 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 1xn5 s VAL 60 CO -0.06 0.31 0.02 0.35 0.00 0.00 0.00 175.10 175.72 1xn5 n THR 61 N 1.01 0.65 -3.63 3.92 -2.24 -1.06 -2.91 114.28 110.02 1xn5 n THR 61 Ca -0.02 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1xn5 n THR 61 Cb 0.50 -0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 1xn5 n THR 61 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xn5 s ASP 62 N -4.21 -0.68 -0.30 3.42 1.11 -1.24 -4.68 116.67 110.09 1xn5 s ASP 62 Ca -0.05 1.29 -0.07 0.00 0.18 0.00 0.00 52.55 53.90 1xn5 s ASP 62 Cb 0.03 1.31 0.18 0.00 1.07 0.00 0.00 42.92 45.51 1xn5 s ASP 62 CO 0.38 -0.22 0.82 0.54 1.18 0.00 0.00 175.17 177.87 1xn5 s VAL 63 N 0.42 -0.66 -0.28 -1.27 0.11 -1.26 -0.45 120.40 117.00 1xn5 s VAL 63 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1xn5 s VAL 63 Cb -0.05 -0.99 0.16 0.00 -1.53 0.00 0.00 36.38 33.97 1xn5 s VAL 63 CO -0.02 0.00 0.46 -0.70 -3.33 0.00 0.00 175.10 171.51 1xn5 s GLU 64 N 2.91 0.45 0.48 1.54 2.56 -1.08 -4.44 118.70 121.11 1xn5 s GLU 64 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 54.97 55.56 1xn5 s GLU 64 Cb -0.13 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 35.90 1xn5 s GLU 64 CO -0.16 -0.83 0.00 0.54 -0.56 0.00 0.00 175.26 174.25 1xn5 n ARG 65 N 5.38 -3.08 -1.43 4.30 3.00 -1.26 -3.95 116.66 119.62 1xn5 n ARG 65 Ca -0.00 2.31 -0.43 0.00 -0.01 0.00 0.00 57.85 59.72 1xn5 n ARG 65 Cb 0.51 -3.69 -0.03 0.00 0.00 0.00 0.00 32.46 29.24 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -4.26 2.13 0.00 5.56 -0.04 -1.26 -3.46 135.00 133.67 1xn5 n PRO 66 Ca -0.04 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1xn5 n PRO 66 Cb 0.68 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 -4.24 0.52 -6.64 -1.24 -3.84 119.36 109.52 1xn5 n ILE 67 Ca 0.51 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 61.30 1xn5 n ILE 67 Cb 0.40 -0.23 -0.16 0.00 -1.44 0.00 0.00 39.64 38.21 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 -1.70 0.77 -0.26 6.28 2.36 -1.22 -3.68 119.74 122.30 1xn5 s LYS 68 Ca 0.00 -0.19 -0.10 0.00 -2.55 0.00 0.00 55.97 53.12 1xn5 s LYS 68 Cb 0.00 -0.75 0.10 0.00 -1.05 0.00 0.00 37.83 36.13 1xn5 s LYS 68 CO 0.00 0.03 0.57 -1.17 1.55 0.00 0.00 175.35 176.34 1xn5 s LEU 69 N 0.42 -0.87 0.01 5.43 2.96 -0.97 -2.64 118.68 123.03 1xn5 s LEU 69 Ca -0.06 1.34 -0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1xn5 s LEU 69 Cb -0.10 1.98 -0.01 0.00 0.50 0.00 0.00 46.19 48.56 1xn5 s LEU 69 CO 0.00 -0.22 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.26 1xn5 s SER 70 N 2.40 0.17 -0.22 3.68 0.15 0.40 0.12 113.70 120.40 1xn5 s SER 70 Ca -0.06 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.05 1xn5 s SER 70 Cb -0.10 0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.37 1xn5 s SER 70 CO -0.17 -0.26 0.57 0.72 1.20 0.00 0.00 173.24 175.31 1xn5 s PHE 71 N -1.20 -0.75 0.27 3.44 -0.71 -1.20 -2.57 117.98 115.27 1xn5 s PHE 71 Ca -0.13 1.66 -0.17 0.00 -1.04 0.00 0.00 56.93 57.25 1xn5 s PHE 71 Cb -0.08 0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 41.99 1xn5 s PHE 71 CO -0.01 -0.38 0.73 0.95 -1.34 0.00 0.00 175.22 175.18 1xn5 s THR 72 N 0.92 4.62 -0.16 -4.49 -4.23 0.45 -3.83 115.64 108.92 1xn5 s THR 72 Ca -0.05 1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 61.46 1xn5 s THR 72 Cb -0.05 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.10 1xn5 s THR 72 CO -0.08 0.01 0.40 0.86 -0.54 0.00 0.00 174.62 175.28 1xn5 s TRP 73 N -1.75 -0.50 0.00 3.99 -0.00 -1.25 -1.78 118.94 117.65 1xn5 s TRP 73 Ca 0.49 1.15 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1xn5 s TRP 73 Cb -0.13 0.19 0.00 0.00 -0.00 0.00 0.00 33.47 33.52 1xn5 s TRP 73 CO 0.19 -0.26 0.00 -3.47 -0.00 0.00 0.00 176.95 173.41 1xn5 n ASP 74 N 3.37 0.00 -3.43 5.86 2.03 -1.26 -4.49 116.55 118.62 1xn5 n ASP 74 Ca -0.17 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.91 1xn5 n ASP 74 Cb 0.56 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.98 1xn5 n ASP 74 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1xn5 n THR 75 N 0.00 -5.87 0.05 5.18 -2.24 -1.26 -4.85 114.28 105.28 1xn5 n THR 75 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1xn5 n THR 75 Cb 0.00 -4.48 0.00 0.00 -2.10 0.00 0.00 70.33 63.75 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xn5 n ASP 76 N -1.23 -0.86 0.00 3.42 -0.08 -1.26 -5.01 116.55 111.53 1xn5 n ASP 76 Ca -0.12 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1xn5 n ASP 76 Cb 0.62 1.13 0.00 0.00 2.34 0.00 0.00 41.12 45.22 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xn5 n GLY 77 N -1.42 0.00 2.75 0.27 0.00 -1.26 -5.13 105.19 100.40 1xn5 n GLY 77 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1xn5 n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xn5 s TRP 78 N 0.00 -0.03 -0.09 1.61 0.51 -1.26 -4.55 118.94 115.13 1xn5 s TRP 78 Ca 0.00 0.36 -0.06 0.00 -2.12 0.00 0.00 56.10 54.27 1xn5 s TRP 78 Cb 0.00 -0.35 0.03 0.00 -0.81 0.00 0.00 33.47 32.35 1xn5 s TRP 78 CO 0.00 -0.19 0.22 -1.12 -0.51 0.00 0.00 176.95 175.34 1xn5 s SER 79 N 1.94 -0.23 0.03 2.95 0.01 -1.23 -3.83 113.70 113.34 1xn5 s SER 79 Ca 0.01 0.45 0.08 0.00 1.31 0.00 0.00 55.95 57.80 1xn5 s SER 79 Cb -0.12 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 1xn5 s SER 79 CO -0.04 -0.11 -0.22 0.54 0.41 0.00 0.00 173.24 173.82 1xn5 s VAL 80 N 0.63 2.49 -0.04 3.43 0.11 -1.25 -2.73 120.40 123.04 1xn5 s VAL 80 Ca -0.04 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 57.81 1xn5 s VAL 80 Cb -0.06 -2.00 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1xn5 s VAL 80 CO -0.04 0.38 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.07 1xn5 s THR 81 N -0.84 1.34 0.14 5.04 2.01 0.47 -3.22 115.64 120.57 1xn5 s THR 81 Ca 0.13 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1xn5 s THR 81 Cb -0.10 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1xn5 s THR 81 CO 0.03 0.39 0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 1xn5 s PHE 82 N -0.03 3.08 -0.13 4.92 0.08 0.32 0.13 117.98 126.36 1xn5 s PHE 82 Ca -0.02 -0.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.96 1xn5 s PHE 82 Cb -0.10 -1.51 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1xn5 s PHE 82 CO 0.01 0.51 0.26 -1.01 -0.10 0.00 0.00 175.22 174.90 1xn5 s HIS 83 N -1.61 -0.42 0.21 0.36 3.76 0.11 -2.28 115.29 115.42 1xn5 s HIS 83 Ca 0.29 0.96 0.10 0.00 -0.15 0.00 0.00 55.06 56.27 1xn5 s HIS 83 Cb -0.11 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 1xn5 s HIS 83 CO 0.22 -0.35 -0.16 -0.51 -0.85 0.00 0.00 174.74 173.09 1xn5 s LEU 84 N 2.34 2.73 -0.30 0.89 1.02 -1.24 -0.53 118.68 123.59 1xn5 s LEU 84 Ca 0.00 -0.78 -0.15 0.00 0.02 0.00 0.00 54.13 53.23 1xn5 s LEU 84 Cb -0.12 -1.38 0.17 0.00 0.02 0.00 0.00 46.19 44.88 1xn5 s LEU 84 CO -0.09 0.09 1.03 -1.59 0.02 0.00 0.00 176.35 175.81 1xn5 s LYS 85 N -3.00 0.25 0.34 1.70 -2.85 -0.98 -3.65 119.74 111.54 1xn5 s LYS 85 Ca 0.25 0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 55.50 1xn5 s LYS 85 Cb -0.07 0.34 -0.11 0.00 -2.06 0.00 0.00 37.83 35.92 1xn5 s LYS 85 CO 0.14 -0.13 1.53 -2.00 0.10 0.00 0.00 175.35 174.98 1xn5 s GLU 86 N 2.53 4.13 0.27 1.78 -6.30 -1.26 -1.14 118.70 118.71 1xn5 s GLU 86 Ca -0.01 2.56 0.02 0.00 -2.50 0.00 0.00 54.97 55.04 1xn5 s GLU 86 Cb -0.07 -3.00 0.02 0.00 0.00 0.00 0.00 34.13 31.09 1xn5 s GLU 86 CO -0.16 -0.56 0.18 -1.91 0.02 0.00 0.00 175.26 172.82 1xn5 n GLU 87 N 1.25 1.13 0.00 4.30 0.00 0.46 -4.85 120.64 122.93 1xn5 n GLU 87 Ca 0.04 -1.75 0.00 0.00 0.00 0.00 0.00 57.16 55.45 1xn5 n GLU 87 Cb 0.39 0.23 0.00 0.00 0.00 0.00 0.00 31.44 32.06 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 -1.07 0.00 -2.72 5.31 -0.58 -1.26 -3.50 120.64 116.81 1xn5 n GLU 88 Ca -0.03 0.71 -0.20 0.00 -0.42 0.00 0.00 57.16 57.22 1xn5 n GLU 88 Cb 0.32 -1.19 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1xn5 n GLU 88 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1xn5 n ASN 89 N -1.96 3.11 0.00 1.62 2.85 -1.26 -5.06 115.26 114.56 1xn5 n ASN 89 Ca 0.00 -3.30 0.00 0.00 -0.11 0.00 0.00 54.58 51.17 1xn5 n ASN 89 Cb 0.00 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 40.50 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 -0.20 3.58 8.20 0.00 -1.23 -4.79 105.19 110.55 1xn5 n GLY 90 Ca 0.26 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.17 2.61 2.01 -1.00 0.17 115.64 120.89 1xn5 s THR 91 Ca 0.00 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 1xn5 s THR 91 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1xn5 s THR 91 CO 0.00 0.53 0.12 -0.63 -0.69 0.00 0.00 174.62 173.95 1xn5 s ILE 92 N -0.87 5.35 -0.18 1.82 -1.09 -0.29 -2.96 121.20 122.98 1xn5 s ILE 92 Ca 0.14 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1xn5 s ILE 92 Cb -0.11 -3.40 0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1xn5 s ILE 92 CO 0.03 0.50 -0.08 0.12 -1.23 0.00 0.00 174.94 174.28 1xn5 s PHE 93 N -0.07 2.09 -0.05 3.97 2.19 -0.87 -2.32 117.98 122.92 1xn5 s PHE 93 Ca 0.10 -1.35 0.06 0.00 0.33 0.00 0.00 56.93 56.07 1xn5 s PHE 93 Cb -0.11 -1.50 -0.01 0.00 -1.31 0.00 0.00 43.02 40.08 1xn5 s PHE 93 CO 0.00 -0.68 -0.24 0.99 1.83 0.00 0.00 175.22 177.12 1xn5 s THR 94 N 1.50 2.18 0.07 0.12 2.01 0.31 -1.24 115.64 120.59 1xn5 s THR 94 Ca 0.00 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.05 1xn5 s THR 94 Cb -0.16 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1xn5 s THR 94 CO -0.08 0.57 -0.21 -0.51 -0.69 0.00 0.00 174.62 173.71 1xn5 s ILE 95 N -0.31 2.62 -0.18 1.82 -1.16 -0.17 -0.71 121.20 123.11 1xn5 s ILE 95 Ca 0.01 -1.36 -0.05 0.00 -0.51 0.00 0.00 60.65 58.74 1xn5 s ILE 95 Cb -0.13 -2.12 0.07 0.00 0.61 0.00 0.00 42.46 40.89 1xn5 s ILE 95 CO 0.02 0.26 0.12 -0.69 -2.81 0.00 0.00 174.94 171.84 1xn5 s VAL 96 N -0.97 -0.15 -0.18 4.00 1.01 0.12 -1.83 120.40 122.41 1xn5 s VAL 96 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xn5 s VAL 96 Cb -0.10 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.72 1xn5 s VAL 96 CO 0.06 -0.27 -0.06 -2.28 0.00 0.00 0.00 175.10 172.55 1xn5 s HIS 97 N 2.19 1.88 0.47 5.22 5.04 -1.14 0.18 115.29 129.13 1xn5 s HIS 97 Ca 0.03 -1.22 0.04 0.00 -1.54 0.00 0.00 55.06 52.37 1xn5 s HIS 97 Cb -0.16 -1.40 -0.04 0.00 0.04 0.00 0.00 32.58 31.03 1xn5 s HIS 97 CO -0.10 -0.65 0.03 -1.12 -2.34 0.00 0.00 174.74 170.56 1xn5 s SER 98 N 1.57 4.08 0.00 9.88 0.01 -1.11 -1.46 113.70 126.67 1xn5 s SER 98 Ca 0.00 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.76 1xn5 s SER 98 Cb -0.16 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1xn5 s SER 98 CO -0.08 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1xn5 n GLY 99 N -1.18 0.71 3.15 3.44 0.00 -1.26 -3.54 105.19 106.51 1xn5 n GLY 99 Ca -0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.22 0.87 0.00 1.61 0.52 -1.26 -4.83 118.94 115.62 1xn5 s TRP 100 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 56.10 54.92 1xn5 s TRP 100 Cb 0.00 -0.49 0.00 0.00 -1.15 0.00 0.00 33.47 31.83 1xn5 s TRP 100 CO 0.00 -0.48 0.00 1.63 0.02 0.00 0.00 176.95 178.12 1xn5 n LYS 101 N -0.09 1.87 -1.68 4.98 5.02 -1.26 -5.00 118.16 122.00 1xn5 n LYS 101 Ca -0.06 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.85 1xn5 n LYS 101 Cb 0.63 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.70 1xn5 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xn5 n GLN 102 N -0.28 1.10 -2.13 1.97 10.64 -1.26 -3.79 117.38 123.63 1xn5 n GLN 102 Ca 0.00 0.42 -0.35 0.00 -1.83 0.00 0.00 57.00 55.24 1xn5 n GLN 102 Cb 0.00 -2.39 -0.04 0.00 -0.86 0.00 0.00 30.24 26.95 1xn5 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xn5 n GLY 103 N 1.05 1.84 1.07 2.61 0.00 -1.26 -3.32 105.19 107.19 1xn5 n GLY 103 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 11.38 -1.04 -3.88 1.61 2.03 -1.26 -4.85 116.55 120.54 1xn5 n ASP 104 Ca 0.47 0.34 -0.24 0.00 0.52 0.00 0.00 54.79 55.88 1xn5 n ASP 104 Cb 0.45 1.21 0.12 0.00 -0.72 0.00 0.00 41.12 42.18 1xn5 n ASP 104 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1xn5 n THR 105 N -2.71 0.00 -4.17 5.18 5.66 -1.21 -4.86 114.28 112.17 1xn5 n THR 105 Ca 0.00 -0.10 -0.13 0.00 -3.05 0.00 0.00 64.05 60.77 1xn5 n THR 105 Cb 0.00 -0.37 -0.11 0.00 -1.55 0.00 0.00 70.33 68.30 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 -3.01 0.82 -0.23 1.09 2.20 -1.26 -3.52 119.74 115.83 1xn5 s LYS 106 Ca 0.38 -1.19 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1xn5 s LYS 106 Cb -0.04 -0.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 1xn5 s LYS 106 CO 0.45 0.05 0.33 0.08 -0.36 0.00 0.00 175.35 175.89 1xn5 s VAL 107 N -2.77 5.23 -1.29 4.02 1.01 -1.25 -4.80 120.40 120.56 1xn5 s VAL 107 Ca 0.07 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 1xn5 s VAL 107 Cb -0.01 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.86 1xn5 s VAL 107 CO -0.01 0.25 2.28 -1.84 0.00 0.00 0.00 175.10 175.78 1xn5 n GLU 108 N 4.70 4.59 0.00 2.72 0.00 -1.26 -4.12 120.64 127.27 1xn5 n GLU 108 Ca -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 57.16 53.47 1xn5 n GLU 108 Cb 0.51 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.31 1xn5 n GLU 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1xn5 n LYS 109 N 1.74 0.00 0.00 3.44 4.81 -1.26 -5.01 118.16 121.88 1xn5 n LYS 109 Ca 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 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 -1.25 -0.07 0.00 3.14 0.00 -1.26 -4.93 120.51 116.14 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 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.99 1.30 3.92 0.00 0.00 -1.26 -5.13 105.19 103.03 1xn5 n GLY 111 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 3.24 1.16 4.61 0.00 -1.26 -4.85 121.76 124.66 1xn5 s ALA 112 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 1xn5 s ALA 112 Cb 0.00 -2.64 0.27 0.00 0.00 0.00 0.00 23.12 20.75 1xn5 s ALA 112 CO 0.00 -0.90 1.04 -1.21 0.00 0.00 0.00 175.76 174.69 1xn5 s GLU 113 N -5.06 -0.86 0.42 0.00 2.02 -1.26 -3.82 118.70 110.15 1xn5 s GLU 113 Ca 0.55 0.62 0.22 0.00 0.02 0.00 0.00 54.97 56.38 1xn5 s GLU 113 Cb -0.11 -1.58 0.90 0.00 0.10 0.00 0.00 34.13 33.44 1xn5 s GLU 113 CO 0.46 -3.62 1.83 1.03 0.02 0.00 0.00 175.26 174.97 1xn5 h SER 114 N -2.54 0.00 0.00 -0.19 0.87 -1.87 -0.28 113.55 109.55 1xn5 h SER 114 Ca -0.59 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1xn5 h SER 114 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1xn5 h SER 114 CO 0.51 0.28 -0.00 0.00 -0.53 0.00 0.00 176.83 177.08 1xn5 h ALA 115 N 1.72 -0.00 -0.37 6.23 0.00 -1.89 0.54 119.26 125.49 1xn5 h ALA 115 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xn5 h ALA 115 Cb 0.73 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1xn5 h ALA 115 CO 0.04 -0.18 0.16 0.28 0.00 0.00 0.00 179.25 179.55 1xn5 h VAL 116 N -0.65 1.18 -0.12 0.00 2.07 -1.89 0.15 116.25 117.00 1xn5 h VAL 116 Ca -0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1xn5 h VAL 116 Cb 0.64 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xn5 h VAL 116 CO 0.00 0.19 0.02 0.58 0.02 0.00 0.00 177.57 178.38 1xn5 h VAL 117 N 0.45 1.22 -0.34 2.57 2.07 -1.10 0.24 116.25 121.35 1xn5 h VAL 117 Ca 0.12 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1xn5 h VAL 117 Cb 0.15 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 1xn5 h VAL 117 CO -0.01 0.20 -0.20 -0.74 0.02 0.00 0.00 177.57 176.84 1xn5 h HIS 118 N -0.04 -0.50 -0.04 1.57 6.17 0.29 1.06 115.15 123.65 1xn5 h HIS 118 Ca 0.03 0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.15 1xn5 h HIS 118 Cb 0.29 0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.50 1xn5 h HIS 118 CO 0.02 -0.28 0.02 0.93 0.71 0.00 0.00 177.93 179.33 1xn5 h GLU 119 N -0.15 0.06 0.45 5.26 5.08 -0.85 0.57 114.58 125.00 1xn5 h GLU 119 Ca 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1xn5 h GLU 119 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1xn5 h GLU 119 CO -0.43 0.18 -0.43 0.00 -1.00 0.00 0.00 179.01 177.33 1xn5 h ARG 120 N -0.07 -0.84 -0.46 2.33 3.08 0.36 0.19 114.38 118.96 1xn5 h ARG 120 Ca 0.01 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1xn5 h ARG 120 Cb 0.14 0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1xn5 h ARG 120 CO -0.00 -0.56 0.20 0.52 -1.07 0.00 0.00 179.97 179.06 1xn5 h MET 121 N -0.87 0.39 -0.22 0.04 2.86 0.11 0.88 114.93 118.12 1xn5 h MET 121 Ca -0.06 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1xn5 h MET 121 Cb 0.75 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 1xn5 h MET 121 CO -0.04 0.26 -0.28 0.22 1.06 0.00 0.00 176.91 178.13 1xn5 h ASP 122 N 0.40 -0.88 -0.31 1.22 1.82 0.40 1.28 116.42 120.34 1xn5 h ASP 122 Ca 0.21 0.15 0.02 0.00 -0.39 0.00 0.00 57.03 57.02 1xn5 h ASP 122 Cb 0.17 0.40 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 1xn5 h ASP 122 CO -0.18 -0.31 0.15 -0.09 -1.61 0.00 0.00 179.24 177.20 1xn5 h ARG 123 N -0.30 0.31 -0.60 0.28 2.43 -0.10 0.67 114.38 117.07 1xn5 h ARG 123 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1xn5 h ARG 123 Cb 0.50 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1xn5 h ARG 123 CO -0.39 0.21 0.33 0.78 -1.51 0.00 0.00 179.97 179.39 1xn5 h GLY 124 N 0.32 0.88 0.76 2.80 0.00 0.29 0.77 103.07 108.88 1xn5 h GLY 124 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1xn5 h GLY 124 CO -0.09 0.36 -0.13 1.49 0.00 0.00 0.00 176.54 178.17 1xn5 h TRP 125 N 0.83 -0.33 0.51 5.60 4.06 0.24 0.46 115.95 127.32 1xn5 h TRP 125 Ca 0.21 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.13 1xn5 h TRP 125 Cb 0.02 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1xn5 h TRP 125 CO 0.00 -0.04 -0.24 1.25 -3.56 0.00 0.00 178.44 175.85 1xn5 h HIS 126 N -0.59 -0.63 -0.95 0.49 2.76 -0.49 0.18 115.15 115.91 1xn5 h HIS 126 Ca -0.04 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.28 1xn5 h HIS 126 Cb 0.43 0.21 -0.08 0.00 1.55 0.00 0.00 27.41 29.52 1xn5 h HIS 126 CO 0.00 -0.39 0.60 -0.44 -1.30 0.00 0.00 177.93 176.41 1xn5 h ASP 127 N -0.69 0.69 0.18 3.26 5.19 0.54 0.76 116.42 126.35 1xn5 h ASP 127 Ca -0.07 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1xn5 h ASP 127 Cb 0.53 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1xn5 h ASP 127 CO 0.11 0.31 -0.36 0.25 -3.12 0.00 0.00 179.24 176.44 1xn5 h LEU 128 N 0.71 0.26 -3.73 1.55 5.85 0.57 -2.52 115.31 118.01 1xn5 h LEU 128 Ca 0.50 -0.10 -0.44 0.00 0.84 0.00 0.00 57.88 58.68 1xn5 h LEU 128 Cb 0.82 -0.07 -0.25 0.00 0.37 0.00 0.00 40.66 41.53 1xn5 h LEU 128 CO -0.26 0.60 0.22 0.55 -0.34 0.00 0.00 178.44 179.21 1xn5 n VAL 129 N -4.07 2.98 0.04 1.05 3.14 0.21 -1.67 118.33 120.01 1xn5 n VAL 129 Ca -0.01 -2.83 0.00 0.00 -2.96 0.00 0.00 64.34 58.54 1xn5 n VAL 129 Cb 0.44 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 1xn5 n VAL 129 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xn5 n ASN 130 N -1.02 0.82 -0.01 6.55 2.85 0.18 -4.72 115.26 119.90 1xn5 n ASN 130 Ca 0.49 0.13 -0.05 0.00 -0.11 0.00 0.00 54.58 55.03 1xn5 n ASN 130 Cb 1.09 -0.23 -0.02 0.00 1.24 0.00 0.00 39.78 41.86 1xn5 n ASN 130 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xn5 n GLU 131 N -3.38 0.15 -0.37 1.20 1.02 -1.11 -4.18 120.64 113.96 1xn5 n GLU 131 Ca 0.00 0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1xn5 n GLU 131 Cb 0.10 -0.75 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 1xn5 n GLU 131 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 n ARG 132 N -3.55 -0.39 -0.18 3.49 5.12 -1.24 0.17 116.66 120.08 1xn5 n ARG 132 Ca -0.09 1.44 -0.08 0.00 -1.93 0.00 0.00 57.85 57.19 1xn5 n ARG 132 Cb 0.36 -2.12 0.01 0.00 -1.16 0.00 0.00 32.46 29.56 1xn5 n ARG 132 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1xn5 h LEU 133 N 0.00 0.69 -1.31 0.55 5.85 -1.61 -2.09 115.31 117.40 1xn5 h LEU 133 Ca 0.14 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.88 1xn5 h LEU 133 Cb 0.36 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 1xn5 h LEU 133 CO -0.83 0.65 0.59 -0.09 -0.34 0.00 0.00 178.44 178.42 1xn5 h ARG 134 N 0.68 0.59 0.00 1.25 2.43 -0.45 0.61 114.38 119.49 1xn5 h ARG 134 Ca 0.17 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1xn5 h ARG 134 Cb 0.16 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1xn5 h ARG 134 CO -0.02 0.39 -0.25 0.37 -1.51 0.00 0.00 179.97 178.96 1xn5 h GLN 135 N 0.61 0.00 0.00 0.20 4.15 0.25 1.23 115.11 121.55 1xn5 h GLN 135 Ca 0.48 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.88 1xn5 h GLN 135 Cb 0.91 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.60 1xn5 h GLN 135 CO -0.23 0.25 -0.10 0.82 -1.93 0.00 0.00 178.83 177.64 1xn5 h ILE 136 N 0.00 0.45 0.00 2.39 1.08 0.43 -2.33 117.51 119.53 1xn5 h ILE 136 Ca -0.00 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1xn5 h ILE 136 Cb 0.52 1.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1xn5 h ILE 136 CO 0.03 0.10 -0.62 1.33 -0.69 0.00 0.00 178.15 178.30 1xn5 n VAL 137 N -3.52 0.00 0.25 1.67 0.24 -0.52 -5.02 118.33 111.42 1xn5 n VAL 137 Ca -0.02 -0.28 0.03 0.00 -2.04 0.00 0.00 64.34 62.03 1xn5 n VAL 137 Cb 0.24 0.81 0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07