#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn5 n THR 2 N 0.00 0.00 -0.15 1.12 5.66 -1.26 -4.71 114.28 114.94 1xn5 n THR 2 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1xn5 n THR 2 Cb 0.00 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 68.86 1xn5 n THR 2 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xn5 n ARG 3 N -0.54 -1.42 -2.15 1.09 3.00 -1.26 -4.72 116.66 110.67 1xn5 n ARG 3 Ca 0.00 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.85 57.07 1xn5 n ARG 3 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 32.46 31.83 1xn5 n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xn5 s LEU 4 N 0.00 4.34 0.52 0.55 1.43 -1.26 -4.75 118.68 119.51 1xn5 s LEU 4 Ca 0.17 2.60 -0.19 0.00 -1.03 0.00 0.00 54.13 55.69 1xn5 s LEU 4 Cb -0.03 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1xn5 s LEU 4 CO 0.14 -0.62 1.04 -2.16 0.23 0.00 0.00 176.35 174.98 1xn5 s PRO 5 N -1.98 3.64 0.27 1.29 0.04 -1.26 -4.96 135.00 132.04 1xn5 s PRO 5 Ca 0.52 1.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1xn5 s PRO 5 Cb -0.37 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 31.96 1xn5 s PRO 5 CO 0.49 -0.55 1.43 -0.25 0.04 0.00 0.00 177.00 178.15 1xn5 n ASP 6 N -1.36 2.97 -3.59 6.66 8.00 -1.26 -4.80 116.55 123.18 1xn5 n ASP 6 Ca 0.09 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.34 1xn5 n ASP 6 Cb 0.53 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 1xn5 n ASP 6 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xn5 n ILE 7 N 1.71 2.47 -3.35 0.53 5.41 0.97 -4.88 119.36 122.22 1xn5 n ILE 7 Ca 0.10 -2.02 -0.38 0.00 1.00 0.00 0.00 62.75 61.44 1xn5 n ILE 7 Cb 0.33 -2.40 -0.07 0.00 -0.71 0.00 0.00 39.64 36.79 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 4.17 4.19 0.13 0.38 2.20 -1.26 -2.52 119.74 127.03 1xn5 s LYS 8 Ca 0.53 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 1xn5 s LYS 8 Cb 0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1xn5 s LYS 8 CO 0.03 -0.05 -0.11 0.15 -0.36 0.00 0.00 175.35 175.02 1xn5 s LYS 9 N 1.32 0.98 -0.06 4.03 -0.14 -0.55 -4.98 119.74 120.33 1xn5 s LYS 9 Ca 0.21 -1.32 -0.03 0.00 -1.36 0.00 0.00 55.97 53.46 1xn5 s LYS 9 Cb -0.15 -0.63 0.03 0.00 -1.68 0.00 0.00 37.83 35.40 1xn5 s LYS 9 CO 0.08 0.09 0.14 -2.00 -0.76 0.00 0.00 175.35 172.91 1xn5 s GLU 10 N -3.27 0.11 0.08 1.68 -6.30 -1.26 -0.14 118.70 109.60 1xn5 s GLU 10 Ca 0.12 0.32 0.01 0.00 -2.50 0.00 0.00 54.97 52.92 1xn5 s GLU 10 Cb -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 34.13 33.98 1xn5 s GLU 10 CO 0.01 -0.12 -0.06 0.14 0.02 0.00 0.00 175.26 175.25 1xn5 s VAL 11 N 0.86 0.57 -0.10 3.70 -7.23 -0.50 -5.03 120.40 112.68 1xn5 s VAL 11 Ca -0.07 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1xn5 s VAL 11 Cb -0.08 -1.60 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1xn5 s VAL 11 CO -0.04 -0.88 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.10 1xn5 s ARG 12 N -3.76 2.32 0.03 4.82 3.52 -1.26 -1.49 118.95 123.12 1xn5 s ARG 12 Ca 0.10 -0.61 0.07 0.00 -0.13 0.00 0.00 55.73 55.16 1xn5 s ARG 12 Cb 0.05 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.51 1xn5 s ARG 12 CO -0.06 -0.00 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.16 1xn5 s PHE 13 N 0.81 1.81 -0.71 5.12 0.08 -0.99 -5.03 117.98 119.08 1xn5 s PHE 13 Ca -0.10 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 1xn5 s PHE 13 Cb -0.16 -1.11 0.06 0.00 -0.57 0.00 0.00 43.02 41.25 1xn5 s PHE 13 CO 0.01 0.06 1.09 -0.80 -0.10 0.00 0.00 175.22 175.48 1xn5 s ASN 14 N -0.98 6.21 -0.18 1.36 0.01 -1.26 -2.16 114.94 117.94 1xn5 s ASN 14 Ca 0.08 -0.91 -0.35 0.00 -0.71 0.00 0.00 52.86 50.97 1xn5 s ASN 14 Cb -0.09 -2.47 0.14 0.00 0.41 0.00 0.00 41.25 39.25 1xn5 s ASN 14 CO 0.01 -1.54 1.32 0.00 -1.51 0.00 0.00 177.10 175.38 1xn5 s ALA 15 N 4.53 -2.22 0.06 0.60 0.00 -1.26 -4.89 121.76 118.58 1xn5 s ALA 15 Ca 0.28 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.38 1xn5 s ALA 15 Cb -0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1xn5 s ALA 15 CO 0.10 -0.73 1.16 -1.25 0.00 0.00 0.00 175.76 175.03 1xn5 s PRO 16 N -2.22 4.46 0.57 0.00 0.04 -1.26 -3.61 135.00 132.97 1xn5 s PRO 16 Ca 0.12 1.72 0.30 0.00 0.04 0.00 0.00 61.00 63.17 1xn5 s PRO 16 Cb 0.01 -3.36 1.46 0.00 0.04 0.00 0.00 34.50 32.66 1xn5 s PRO 16 CO -0.04 -0.21 1.88 0.97 0.04 0.00 0.00 177.00 179.64 1xn5 h ILE 17 N 4.49 0.44 -0.25 0.56 2.10 -1.97 0.90 117.51 123.79 1xn5 h ILE 17 Ca -0.42 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.48 1xn5 h ILE 17 Cb 1.21 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 37.50 1xn5 h ILE 17 CO 0.80 0.00 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.77 1xn5 h GLU 18 N 0.00 0.38 0.03 2.19 4.22 -1.98 0.35 114.58 119.77 1xn5 h GLU 18 Ca 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.68 1xn5 h GLU 18 Cb 1.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1xn5 h GLU 18 CO -0.00 0.42 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.01 1xn5 h LYS 19 N 0.37 -0.04 -0.83 1.92 3.64 0.44 -2.24 116.57 119.83 1xn5 h LYS 19 Ca 0.08 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.60 1xn5 h LYS 19 Cb 0.28 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1xn5 h LYS 19 CO 0.01 0.45 0.42 0.28 -2.27 0.00 0.00 179.45 178.35 1xn5 h VAL 20 N -0.98 0.76 0.34 2.00 2.07 -1.28 0.71 116.25 119.87 1xn5 h VAL 20 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1xn5 h VAL 20 Cb 0.52 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1xn5 h VAL 20 CO 0.01 0.12 -0.17 -0.25 0.02 0.00 0.00 177.57 177.30 1xn5 h TRP 21 N 0.63 -0.43 -0.04 1.57 -0.00 -0.39 0.47 115.95 117.77 1xn5 h TRP 21 Ca 0.44 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.33 1xn5 h TRP 21 Cb 0.59 0.14 -0.00 0.00 -0.00 0.00 0.00 29.16 29.89 1xn5 h TRP 21 CO -0.09 -0.25 0.04 1.49 -0.00 0.00 0.00 178.44 179.62 1xn5 h GLU 22 N -0.48 0.00 0.00 2.65 4.81 -0.46 1.65 114.58 122.75 1xn5 h GLU 22 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xn5 h GLU 22 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xn5 h GLU 22 CO 0.08 0.00 -0.47 0.00 -0.73 0.00 0.00 179.01 177.89 1xn5 n ALA 23 N -2.32 3.09 -0.76 2.92 0.00 0.23 -3.30 120.51 120.38 1xn5 n ALA 23 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 53.44 53.21 1xn5 n ALA 23 Cb 0.13 -1.20 0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.78 1.30 -1.04 0.00 0.24 0.19 -2.67 118.33 114.57 1xn5 n VAL 24 Ca 0.05 -1.49 0.02 0.00 -2.04 0.00 0.00 64.34 60.88 1xn5 n VAL 24 Cb 0.38 0.16 0.02 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.90 0.82 -4.26 -1.34 3.41 0.51 -4.96 113.62 106.90 1xn5 n SER 25 Ca 0.08 -1.81 -0.14 0.00 -0.26 0.00 0.00 58.87 56.73 1xn5 n SER 25 Cb 0.50 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.68 0.93 0.04 6.66 -4.23 -1.21 -3.91 115.64 113.25 1xn5 s THR 26 Ca 0.05 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 1xn5 s THR 26 Cb 0.04 -2.05 -0.24 0.00 1.34 0.00 0.00 72.50 71.59 1xn5 s THR 26 CO 0.00 -0.56 1.14 0.28 -0.54 0.00 0.00 174.62 174.94 1xn5 h SER 27 N 2.69 0.76 0.83 3.99 0.02 -1.86 -1.07 113.55 118.91 1xn5 h SER 27 Ca -0.37 -0.76 -0.11 0.00 -0.84 0.00 0.00 61.79 59.70 1xn5 h SER 27 Cb 1.20 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1xn5 h SER 27 CO 0.64 1.43 -0.54 -0.33 -1.14 0.00 0.00 176.83 176.88 1xn5 h GLU 28 N 0.18 0.00 0.07 3.45 5.08 -1.91 -0.36 114.58 121.08 1xn5 h GLU 28 Ca -0.12 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.96 1xn5 h GLU 28 Cb 1.58 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.86 1xn5 h GLU 28 CO 0.18 0.54 -1.16 0.78 -1.00 0.00 0.00 179.01 178.35 1xn5 h GLY 29 N 2.20 0.75 0.39 -3.84 0.00 -1.77 -2.49 103.07 98.31 1xn5 h GLY 29 Ca -0.01 -1.45 -0.01 0.00 0.00 0.00 0.00 47.33 45.87 1xn5 h GLY 29 CO 0.07 1.27 -0.12 1.41 0.00 0.00 0.00 176.54 179.18 1xn5 h LEU 30 N 0.33 -0.28 -1.95 3.11 3.38 -0.96 -2.97 115.31 115.97 1xn5 h LEU 30 Ca -0.16 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1xn5 h LEU 30 Cb 1.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1xn5 h LEU 30 CO 0.23 0.22 0.18 0.00 0.09 0.00 0.00 178.44 179.15 1xn5 h ALA 31 N -0.58 1.16 0.00 1.53 0.00 -0.94 1.69 119.26 122.12 1xn5 h ALA 31 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xn5 h ALA 31 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xn5 h ALA 31 CO 0.06 -0.16 -0.05 0.35 0.00 0.00 0.00 179.25 179.45 1xn5 h PHE 32 N 0.00 0.00 0.00 0.00 3.04 -1.27 -3.34 116.94 115.37 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 0.36 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1xn5 h PHE 32 CO 0.00 0.05 -0.26 -2.67 -2.02 0.00 0.00 178.31 173.41 1xn5 n TRP 33 N -3.58 0.00 0.00 0.41 4.27 0.91 -4.96 117.44 114.49 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 0.15 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 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 -2.60 0.00 -3.60 -2.67 7.35 0.54 -5.02 117.46 111.47 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 0.13 0.00 -0.02 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 -0.06 0.32 0.34 -4.13 -1.94 -1.21 -4.87 119.30 107.75 1xn5 s MET 35 Ca 0.00 -0.13 -0.26 0.00 -1.71 0.00 0.00 55.69 53.59 1xn5 s MET 35 Cb 0.00 0.14 -0.13 0.00 2.01 0.00 0.00 34.83 36.85 1xn5 s MET 35 CO 0.00 -0.14 0.90 0.39 -0.01 0.00 0.00 175.02 176.16 1xn5 n GLU 36 N -0.15 1.15 -3.89 2.03 1.02 -1.26 -2.95 120.64 116.58 1xn5 n GLU 36 Ca -0.01 0.41 -0.03 0.00 -0.02 0.00 0.00 57.16 57.51 1xn5 n GLU 36 Cb 0.59 -1.79 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1xn5 n GLU 36 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xn5 s ASN 37 N -0.70 0.01 -0.18 1.62 2.20 -1.26 -3.21 114.94 113.42 1xn5 s ASN 37 Ca 0.61 -0.66 0.15 0.00 -0.94 0.00 0.00 52.86 52.02 1xn5 s ASN 37 Cb -0.66 0.48 0.44 0.00 -2.00 0.00 0.00 41.25 39.51 1xn5 s ASN 37 CO 0.59 -0.96 1.20 -0.67 -2.94 0.00 0.00 177.10 174.31 1xn5 n ASP 38 N -1.24 2.09 -4.75 3.54 -0.08 -1.20 -4.77 116.55 110.13 1xn5 n ASP 38 Ca -0.02 -3.30 -0.34 0.00 -1.51 0.00 0.00 54.79 49.62 1xn5 n ASP 38 Cb 0.59 -0.44 0.06 0.00 2.34 0.00 0.00 41.12 43.67 1xn5 n ASP 38 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1xn5 s LEU 39 N -2.60 3.43 0.00 -2.67 0.20 -1.26 -4.73 118.68 111.05 1xn5 s LEU 39 Ca 0.38 2.16 0.06 0.00 0.69 0.00 0.00 54.13 57.43 1xn5 s LEU 39 Cb 0.38 -4.57 0.11 0.00 -0.43 0.00 0.00 46.19 41.67 1xn5 s LEU 39 CO -0.07 -1.78 0.93 1.17 -0.29 0.00 0.00 176.35 176.30 1xn5 n LYS 40 N -2.31 0.00 -3.54 1.98 4.81 -1.26 -3.45 118.16 114.38 1xn5 n LYS 40 Ca 0.12 -1.01 -0.23 0.00 -0.87 0.00 0.00 58.31 56.32 1xn5 n LYS 40 Cb 0.51 -0.09 0.01 0.00 0.02 0.00 0.00 35.03 35.48 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 0.12 -2.66 -3.39 3.14 0.00 -1.25 -4.98 120.51 111.49 1xn5 n ALA 41 Ca -0.03 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1xn5 n ALA 41 Cb 0.77 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.90 0.30 0.28 0.00 2.12 -1.26 -4.98 118.70 111.26 1xn5 s GLU 42 Ca 0.10 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 1xn5 s GLU 42 Cb -0.01 -0.68 -0.14 0.00 0.26 0.00 0.00 34.13 33.56 1xn5 s GLU 42 CO 0.86 -0.64 1.19 -2.37 -0.54 0.00 0.00 175.26 173.76 1xn5 n THR 43 N 5.35 1.68 -3.00 -1.70 5.66 -1.26 -1.83 114.28 119.18 1xn5 n THR 43 Ca -0.04 -0.42 -0.15 0.00 -3.05 0.00 0.00 64.05 60.39 1xn5 n THR 43 Cb 0.50 -1.25 0.04 0.00 -1.55 0.00 0.00 70.33 68.07 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 1.35 -0.02 3.75 1.09 0.00 -1.14 -5.03 105.19 105.19 1xn5 n GLY 44 Ca 0.09 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.09 2.67 0.05 1.61 5.04 -0.76 -4.98 115.29 115.83 1xn5 s HIS 45 Ca 0.30 -0.47 0.04 0.00 -1.54 0.00 0.00 55.06 53.39 1xn5 s HIS 45 Cb -0.13 -1.84 -0.02 0.00 0.04 0.00 0.00 32.58 30.63 1xn5 s HIS 45 CO 0.37 0.22 -0.13 -1.58 -2.34 0.00 0.00 174.74 171.28 1xn5 s HIS 46 N -2.50 1.09 -0.11 3.88 5.65 -1.26 -2.35 115.29 119.69 1xn5 s HIS 46 Ca 0.40 -0.42 -0.30 0.00 0.25 0.00 0.00 55.06 55.00 1xn5 s HIS 46 Cb -0.00 -0.63 0.08 0.00 -1.18 0.00 0.00 32.58 30.85 1xn5 s HIS 46 CO 0.23 0.02 0.75 -0.59 -0.65 0.00 0.00 174.74 174.51 1xn5 s PHE 47 N -1.11 -0.62 0.74 3.88 -0.71 -0.91 -4.89 117.98 114.36 1xn5 s PHE 47 Ca -0.02 1.15 -0.07 0.00 -1.04 0.00 0.00 56.93 56.95 1xn5 s PHE 47 Cb -0.09 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 42.21 1xn5 s PHE 47 CO 0.02 -0.52 1.05 -1.01 -1.34 0.00 0.00 175.22 173.42 1xn5 s HIS 48 N -0.92 2.51 -0.06 3.49 3.76 -1.26 -0.92 115.29 121.89 1xn5 s HIS 48 Ca -0.07 0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.10 1xn5 s HIS 48 Cb -0.01 -3.30 0.03 0.00 1.11 0.00 0.00 32.58 30.41 1xn5 s HIS 48 CO 0.07 -1.64 0.14 -1.17 -0.85 0.00 0.00 174.74 171.29 1xn5 s LEU 49 N -5.32 1.10 -0.88 0.89 2.96 -0.55 -3.23 118.68 113.64 1xn5 s LEU 49 Ca 0.63 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 1xn5 s LEU 49 Cb -0.09 0.41 0.23 0.00 0.50 0.00 0.00 46.19 47.24 1xn5 s LEU 49 CO 0.46 -0.10 0.85 0.00 -1.32 0.00 0.00 176.35 176.24 1xn5 n GLN 50 N 3.62 2.79 -2.35 1.98 1.13 -1.20 -1.87 117.38 121.48 1xn5 n GLN 50 Ca -0.20 -4.51 -0.24 0.00 -1.94 0.00 0.00 57.00 50.11 1xn5 n GLN 50 Cb 0.55 -2.40 0.06 0.00 0.11 0.00 0.00 30.24 28.56 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 -0.64 4.95 0.03 1.08 1.04 -1.25 -4.47 113.70 114.44 1xn5 s SER 51 Ca 0.29 0.29 0.22 0.00 0.48 0.00 0.00 55.95 57.23 1xn5 s SER 51 Cb -0.03 -1.01 0.93 0.00 0.10 0.00 0.00 66.02 66.01 1xn5 s SER 51 CO -0.09 -1.46 1.70 -0.81 0.98 0.00 0.00 173.24 173.57 1xn5 n PRO 52 N -2.73 0.03 -1.93 4.02 -0.04 -1.26 -3.12 135.00 129.96 1xn5 n PRO 52 Ca 0.08 0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.39 1xn5 n PRO 52 Cb 0.60 -1.54 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.58 3.06 0.00 0.54 -0.00 -1.26 -5.04 117.46 113.17 1xn5 n PHE 53 Ca 0.05 -2.64 0.00 0.00 -0.00 0.00 0.00 57.45 54.86 1xn5 n PHE 53 Cb 0.26 -0.69 0.00 0.00 -0.00 0.00 0.00 39.48 39.05 1xn5 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xn5 n GLY 54 N -0.69 -2.10 3.76 7.13 0.00 -1.18 -4.94 105.19 107.17 1xn5 n GLY 54 Ca 0.49 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.70 4.65 0.01 1.61 0.04 -1.26 -3.80 135.00 132.56 1xn5 s PRO 55 Ca 0.00 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1xn5 s PRO 55 Cb 0.00 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1xn5 s PRO 55 CO 0.00 0.24 -0.03 -1.12 0.04 0.00 0.00 177.00 176.12 1xn5 s SER 56 N -0.94 0.35 0.65 6.66 0.01 -0.78 -4.96 113.70 114.70 1xn5 s SER 56 Ca 0.44 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 57.31 1xn5 s SER 56 Cb -0.31 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1xn5 s SER 56 CO 0.40 -0.11 1.06 -2.16 0.41 0.00 0.00 173.24 172.83 1xn5 s PRO 57 N -0.74 3.11 0.08 12.44 0.04 -1.26 -1.48 135.00 147.19 1xn5 s PRO 57 Ca -0.06 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1xn5 s PRO 57 Cb -0.05 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1xn5 s PRO 57 CO -0.00 -0.97 0.14 0.00 0.04 0.00 0.00 177.00 176.21 1xn5 s GLN 59 N -3.85 0.38 0.25 0.00 0.74 -1.18 -2.13 119.66 113.86 1xn5 s GLN 59 Ca 0.05 0.70 -0.30 0.00 0.05 0.00 0.00 55.36 55.87 1xn5 s GLN 59 Cb 0.05 0.01 -0.09 0.00 1.10 0.00 0.00 33.01 34.08 1xn5 s GLN 59 CO -0.11 -0.14 0.99 0.08 -0.55 0.00 0.00 175.29 175.56 1xn5 s VAL 60 N 1.16 3.89 -0.14 1.34 1.01 -0.99 -0.91 120.40 125.76 1xn5 s VAL 60 Ca -0.08 1.90 0.07 0.00 0.00 0.00 0.00 61.98 63.87 1xn5 s VAL 60 Cb -0.08 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 31.97 1xn5 s VAL 60 CO -0.10 0.45 -0.03 0.35 0.00 0.00 0.00 175.10 175.77 1xn5 n THR 61 N 1.37 0.87 -3.68 3.92 -2.24 -1.09 -2.90 114.28 110.53 1xn5 n THR 61 Ca -0.02 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 1xn5 n THR 61 Cb 0.46 -0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 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 -4.92 -0.64 -0.30 3.42 1.01 -1.22 -4.66 116.67 109.36 1xn5 s ASP 62 Ca -0.12 1.13 -0.03 0.00 0.71 0.00 0.00 52.55 54.24 1xn5 s ASP 62 Cb 0.04 1.07 0.19 0.00 1.01 0.00 0.00 42.92 45.23 1xn5 s ASP 62 CO 0.45 -0.20 0.72 0.54 0.21 0.00 0.00 175.17 176.89 1xn5 s VAL 63 N 0.96 -0.81 -0.28 -1.27 0.11 -1.26 -0.02 120.40 117.83 1xn5 s VAL 63 Ca -0.05 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1xn5 s VAL 63 Cb -0.06 -0.94 0.16 0.00 -1.53 0.00 0.00 36.38 34.02 1xn5 s VAL 63 CO -0.08 0.00 0.47 -0.70 -3.33 0.00 0.00 175.10 171.46 1xn5 s GLU 64 N 2.88 0.45 0.47 1.54 2.56 -1.03 -4.40 118.70 121.17 1xn5 s GLU 64 Ca 0.15 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.69 1xn5 s GLU 64 Cb -0.12 -0.07 0.00 0.00 2.00 0.00 0.00 34.13 35.94 1xn5 s GLU 64 CO -0.20 -0.78 0.00 0.54 -0.56 0.00 0.00 175.26 174.26 1xn5 n ARG 65 N 5.39 -2.92 -1.23 4.30 3.00 -1.26 -3.81 116.66 120.13 1xn5 n ARG 65 Ca -0.01 2.23 -0.37 0.00 -0.01 0.00 0.00 57.85 59.69 1xn5 n ARG 65 Cb 0.51 -3.52 -0.03 0.00 0.00 0.00 0.00 32.46 29.42 1xn5 n ARG 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1xn5 n PRO 66 N -4.14 2.40 0.00 5.56 -0.04 -1.26 -3.42 135.00 134.10 1xn5 n PRO 66 Ca -0.05 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1xn5 n PRO 66 Cb 0.66 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.88 0.00 -4.31 0.52 -6.64 -1.26 -3.77 119.36 108.79 1xn5 n ILE 67 Ca 0.54 0.00 -0.21 0.00 -1.77 0.00 0.00 62.75 61.32 1xn5 n ILE 67 Cb 0.30 -0.36 -0.16 0.00 -1.44 0.00 0.00 39.64 37.98 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 -1.81 1.01 -0.23 6.28 2.47 -1.22 -3.60 119.74 122.65 1xn5 s LYS 68 Ca 0.00 -0.22 -0.11 0.00 -1.56 0.00 0.00 55.97 54.07 1xn5 s LYS 68 Cb 0.00 -0.94 0.08 0.00 -1.46 0.00 0.00 37.83 35.51 1xn5 s LYS 68 CO 0.00 0.00 0.53 -1.17 0.16 0.00 0.00 175.35 174.88 1xn5 s LEU 69 N 0.61 -0.58 -0.01 5.43 2.96 -0.76 -2.47 118.68 123.86 1xn5 s LEU 69 Ca -0.09 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.93 1xn5 s LEU 69 Cb -0.13 1.81 0.01 0.00 0.50 0.00 0.00 46.19 48.38 1xn5 s LEU 69 CO 0.01 -0.22 0.16 -0.55 -1.32 0.00 0.00 176.35 174.44 1xn5 s SER 70 N 1.82 -0.03 -0.22 3.68 0.15 0.98 0.58 113.70 120.66 1xn5 s SER 70 Ca -0.08 -0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.27 1xn5 s SER 70 Cb -0.08 0.24 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1xn5 s SER 70 CO -0.16 -0.35 0.59 0.72 1.20 0.00 0.00 173.24 175.24 1xn5 s PHE 71 N -1.21 -0.70 0.33 3.44 -0.12 -1.17 -2.67 117.98 115.89 1xn5 s PHE 71 Ca -0.13 1.62 -0.10 0.00 -0.05 0.00 0.00 56.93 58.27 1xn5 s PHE 71 Cb -0.07 0.28 -0.07 0.00 -0.63 0.00 0.00 43.02 42.53 1xn5 s PHE 71 CO 0.02 -0.34 0.67 0.95 -0.05 0.00 0.00 175.22 176.47 1xn5 s THR 72 N 0.57 4.84 -0.17 -4.49 -4.23 -0.09 -3.73 115.64 108.34 1xn5 s THR 72 Ca -0.02 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 60.95 1xn5 s THR 72 Cb -0.05 -3.68 0.06 0.00 1.34 0.00 0.00 72.50 70.17 1xn5 s THR 72 CO -0.03 -0.31 0.41 0.86 -0.54 0.00 0.00 174.62 175.02 1xn5 s TRP 73 N -2.11 -0.60 0.03 3.99 -0.00 -1.23 -3.13 118.94 115.89 1xn5 s TRP 73 Ca 0.50 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.89 1xn5 s TRP 73 Cb -0.11 0.26 0.00 0.00 -0.00 0.00 0.00 33.47 33.63 1xn5 s TRP 73 CO 0.26 -0.34 0.00 -3.47 -0.00 0.00 0.00 176.95 173.40 1xn5 n ASP 74 N 4.17 -0.55 -2.58 5.86 -0.08 -1.24 -4.32 116.55 117.82 1xn5 n ASP 74 Ca -0.23 0.07 -0.25 0.00 -1.51 0.00 0.00 54.79 52.87 1xn5 n ASP 74 Cb 0.55 -0.29 -0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 -2.61 2.28 0.04 5.18 -2.24 -1.26 -4.77 114.28 110.89 1xn5 n THR 75 Ca -0.00 -4.84 0.00 0.00 -2.27 0.00 0.00 64.05 56.94 1xn5 n THR 75 Cb 0.04 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1xn5 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xn5 n ASP 76 N -0.39 0.38 0.00 3.42 2.03 -1.26 -5.06 116.55 115.67 1xn5 n ASP 76 Ca 0.34 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1xn5 n ASP 76 Cb 0.64 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1xn5 n ASP 76 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xn5 n GLY 77 N 2.98 0.00 3.15 0.27 0.00 -1.26 -5.13 105.19 105.19 1xn5 n GLY 77 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.26 0.01 1.61 0.52 -1.26 -4.24 118.94 118.84 1xn5 s TRP 78 Ca 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 56.10 54.19 1xn5 s TRP 78 Cb 0.00 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1xn5 s TRP 78 CO 0.00 -0.82 -0.15 -1.12 0.02 0.00 0.00 176.95 174.88 1xn5 s SER 79 N 1.22 1.78 0.04 2.95 0.01 -1.18 -3.57 113.70 114.94 1xn5 s SER 79 Ca -0.06 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.90 1xn5 s SER 79 Cb -0.20 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1xn5 s SER 79 CO -0.02 0.13 -0.15 0.54 0.41 0.00 0.00 173.24 174.15 1xn5 s VAL 80 N -0.54 1.20 -0.01 3.43 0.11 -1.24 -2.59 120.40 120.75 1xn5 s VAL 80 Ca 0.05 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 1xn5 s VAL 80 Cb -0.07 -1.07 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1xn5 s VAL 80 CO 0.00 0.06 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.86 1xn5 s THR 81 N -0.79 0.74 0.01 5.04 2.01 0.10 -3.02 115.64 119.73 1xn5 s THR 81 Ca 0.03 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1xn5 s THR 81 Cb -0.08 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1xn5 s THR 81 CO 0.01 0.22 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.72 1xn5 s PHE 82 N -0.04 2.84 -0.16 4.92 0.08 0.20 -0.63 117.98 125.19 1xn5 s PHE 82 Ca 0.01 -0.07 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 1xn5 s PHE 82 Cb -0.06 -1.58 0.05 0.00 -0.57 0.00 0.00 43.02 40.86 1xn5 s PHE 82 CO -0.00 0.36 0.02 -1.01 -0.10 0.00 0.00 175.22 174.49 1xn5 s HIS 83 N -0.99 0.98 0.23 0.36 3.76 0.01 -1.83 115.29 117.81 1xn5 s HIS 83 Ca 0.17 -0.69 0.05 0.00 -0.15 0.00 0.00 55.06 54.44 1xn5 s HIS 83 Cb -0.11 -0.99 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 1xn5 s HIS 83 CO 0.07 -0.54 0.30 -0.51 -0.85 0.00 0.00 174.74 173.22 1xn5 s LEU 84 N 1.87 4.17 -0.30 0.89 1.02 -1.24 -0.28 118.68 124.81 1xn5 s LEU 84 Ca 0.01 -0.01 -0.15 0.00 0.02 0.00 0.00 54.13 54.00 1xn5 s LEU 84 Cb -0.16 -2.72 0.17 0.00 0.02 0.00 0.00 46.19 43.51 1xn5 s LEU 84 CO -0.07 -0.04 1.02 -1.59 0.02 0.00 0.00 176.35 175.69 1xn5 s LYS 85 N -3.81 0.25 -0.01 1.70 -2.85 -0.58 -4.01 119.74 110.44 1xn5 s LYS 85 Ca 0.34 0.59 -0.30 0.00 -1.00 0.00 0.00 55.97 55.59 1xn5 s LYS 85 Cb -0.09 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1xn5 s LYS 85 CO 0.28 -0.13 1.15 -2.00 0.10 0.00 0.00 175.35 174.76 1xn5 s GLU 86 N 2.51 4.42 0.02 1.78 2.12 -1.26 0.00 118.70 128.29 1xn5 s GLU 86 Ca -0.01 1.65 0.00 0.00 0.36 0.00 0.00 54.97 56.97 1xn5 s GLU 86 Cb -0.06 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1xn5 s GLU 86 CO -0.16 -0.31 0.00 0.39 -0.54 0.00 0.00 175.26 174.64 1xn5 n GLU 87 N 4.53 1.82 0.19 4.30 -0.58 0.44 -4.90 120.64 126.44 1xn5 n GLU 87 Ca 0.09 -0.15 -0.08 0.00 -0.42 0.00 0.00 57.16 56.60 1xn5 n GLU 87 Cb 0.47 0.03 -0.04 0.00 -0.57 0.00 0.00 31.44 31.34 1xn5 n GLU 87 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xn5 h GLU 88 N 0.00 -0.52 -0.77 3.49 5.08 -2.00 -3.26 114.58 116.59 1xn5 h GLU 88 Ca -0.02 0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1xn5 h GLU 88 Cb 0.05 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.30 1xn5 h GLU 88 CO 0.03 -0.35 0.20 -0.91 -1.00 0.00 0.00 179.01 176.98 1xn5 h ASN 89 N -0.97 0.03 0.00 1.42 2.35 -1.99 -3.47 115.58 112.95 1xn5 h ASN 89 Ca -0.06 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1xn5 h ASN 89 Cb 0.41 0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1xn5 h ASN 89 CO 0.09 -0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.43 1xn5 n GLY 90 N -1.36 -0.58 3.55 2.83 0.00 -1.23 -4.86 105.19 103.54 1xn5 n GLY 90 Ca 0.16 0.30 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.19 3.72 -0.18 2.61 2.01 -0.92 0.17 115.64 122.86 1xn5 s THR 91 Ca 0.00 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.47 1xn5 s THR 91 Cb 0.00 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1xn5 s THR 91 CO 0.00 0.57 0.08 -0.63 -0.69 0.00 0.00 174.62 173.95 1xn5 s ILE 92 N -0.43 4.95 -0.19 1.82 -1.09 0.10 -2.34 121.20 124.03 1xn5 s ILE 92 Ca 0.06 0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.52 1xn5 s ILE 92 Cb -0.12 -3.23 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 1xn5 s ILE 92 CO 0.02 0.46 -0.18 0.12 -1.23 0.00 0.00 174.94 174.14 1xn5 s PHE 93 N 0.29 2.83 -0.06 3.97 2.19 -0.56 -1.52 117.98 125.13 1xn5 s PHE 93 Ca 0.05 -1.66 0.02 0.00 0.33 0.00 0.00 56.93 55.67 1xn5 s PHE 93 Cb -0.12 -1.93 -0.03 0.00 -1.31 0.00 0.00 43.02 39.63 1xn5 s PHE 93 CO -0.00 -0.80 -0.11 0.99 1.83 0.00 0.00 175.22 177.13 1xn5 s THR 94 N 1.29 3.37 0.06 0.12 2.01 0.61 -1.41 115.64 121.70 1xn5 s THR 94 Ca 0.04 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 61.52 1xn5 s THR 94 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1xn5 s THR 94 CO -0.12 0.59 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.65 1xn5 s ILE 95 N -0.77 2.00 -0.14 1.82 1.10 0.80 -0.81 121.20 125.20 1xn5 s ILE 95 Ca 0.12 -1.41 -0.04 0.00 -0.51 0.00 0.00 60.65 58.80 1xn5 s ILE 95 Cb -0.11 -1.73 0.06 0.00 0.15 0.00 0.00 42.46 40.83 1xn5 s ILE 95 CO 0.01 0.24 0.11 -0.69 -2.11 0.00 0.00 174.94 172.50 1xn5 s VAL 96 N -0.88 -0.16 -0.09 4.00 1.01 0.20 -1.49 120.40 123.00 1xn5 s VAL 96 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1xn5 s VAL 96 Cb -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1xn5 s VAL 96 CO 0.03 -0.12 -0.16 -2.28 0.00 0.00 0.00 175.10 172.58 1xn5 s HIS 97 N 2.20 1.89 0.25 5.22 2.46 -1.05 0.03 115.29 126.29 1xn5 s HIS 97 Ca 0.04 -0.81 0.01 0.00 0.47 0.00 0.00 55.06 54.76 1xn5 s HIS 97 Cb -0.15 -1.35 -0.03 0.00 -0.13 0.00 0.00 32.58 30.92 1xn5 s HIS 97 CO -0.08 -0.40 0.21 -1.12 -2.47 0.00 0.00 174.74 170.88 1xn5 s SER 98 N 0.78 0.61 0.00 9.88 0.01 -1.07 -0.02 113.70 123.90 1xn5 s SER 98 Ca -0.11 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1xn5 s SER 98 Cb -0.16 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1xn5 s SER 98 CO 0.02 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.33 1xn5 n GLY 99 N -0.39 0.79 3.06 3.44 0.00 -1.26 -3.10 105.19 107.72 1xn5 n GLY 99 Ca 0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1xn5 n GLY 99 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xn5 n TRP 100 N 0.00 0.59 -3.97 1.61 7.02 -1.26 -4.68 117.44 116.75 1xn5 n TRP 100 Ca 0.00 -2.05 -0.21 0.00 -1.02 0.00 0.00 57.50 54.22 1xn5 n TRP 100 Cb 0.00 -0.30 -0.01 0.00 -2.42 0.00 0.00 31.31 28.58 1xn5 n TRP 100 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xn5 n LYS 101 N -1.17 0.92 -1.70 -0.99 5.02 -1.26 -5.01 118.16 113.96 1xn5 n LYS 101 Ca -0.14 -2.65 -0.43 0.00 -2.02 0.00 0.00 58.31 53.07 1xn5 n LYS 101 Cb 0.53 0.39 -0.02 0.00 -0.02 0.00 0.00 35.03 35.91 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 -1.36 2.30 -0.99 1.97 10.64 -1.26 -3.99 117.38 124.69 1xn5 n GLN 102 Ca -0.05 0.82 -0.41 0.00 -1.83 0.00 0.00 57.00 55.53 1xn5 n GLN 102 Cb 0.48 -2.51 -0.09 0.00 -0.86 0.00 0.00 30.24 27.26 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 1.91 1.48 0.34 2.61 0.00 -1.26 -2.15 105.19 108.12 1xn5 n GLY 103 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 9.32 0.00 -3.20 1.61 2.03 -1.26 -4.92 116.55 120.13 1xn5 n ASP 104 Ca 0.48 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.54 1xn5 n ASP 104 Cb 0.42 0.09 0.24 0.00 -0.72 0.00 0.00 41.12 41.14 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 -1.43 0.00 -4.22 5.18 5.66 -0.91 -4.67 114.28 113.88 1xn5 n THR 105 Ca 0.00 -0.05 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 1xn5 n THR 105 Cb 0.00 -0.85 -0.12 0.00 -1.55 0.00 0.00 70.33 67.82 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 -4.73 0.96 -0.21 1.09 2.20 -1.26 -1.07 119.74 116.73 1xn5 s LYS 106 Ca 0.55 -1.11 -0.11 0.00 -0.36 0.00 0.00 55.97 54.93 1xn5 s LYS 106 Cb -0.09 -0.96 -0.05 0.00 -1.51 0.00 0.00 37.83 35.22 1xn5 s LYS 106 CO 0.45 0.20 0.19 0.08 -0.36 0.00 0.00 175.35 175.91 1xn5 s VAL 107 N -1.62 5.36 -0.12 4.02 1.01 -0.57 -4.82 120.40 123.66 1xn5 s VAL 107 Ca 0.04 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.11 1xn5 s VAL 107 Cb -0.08 -3.52 -0.16 0.00 0.00 0.00 0.00 36.38 32.61 1xn5 s VAL 107 CO 0.03 0.38 0.53 -0.08 0.00 0.00 0.00 175.10 175.96 1xn5 h GLU 108 N 7.06 -0.02 -0.24 2.72 4.81 -1.96 -0.06 114.58 126.89 1xn5 h GLU 108 Ca -0.39 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1xn5 h GLU 108 Cb 1.16 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1xn5 h GLU 108 CO 0.72 0.60 -0.26 -0.22 -0.73 0.00 0.00 179.01 179.11 1xn5 h LYS 109 N -0.98 -0.15 0.70 1.92 3.64 -1.98 -2.60 116.57 117.13 1xn5 h LYS 109 Ca -0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xn5 h LYS 109 Cb 0.62 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1xn5 h LYS 109 CO 0.00 -0.10 -0.34 0.00 -2.27 0.00 0.00 179.45 176.75 1xn5 h ALA 110 N -0.63 -0.94 -0.10 5.00 0.00 -2.01 -3.48 119.26 117.10 1xn5 h ALA 110 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xn5 h ALA 110 Cb 0.26 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xn5 h ALA 110 CO -0.31 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 178.37 1xn5 n GLY 111 N -1.23 0.82 0.00 0.00 0.00 -0.09 -5.10 105.19 99.59 1xn5 n GLY 111 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1xn5 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xn5 n ALA 112 N -0.04 0.00 -1.22 4.61 0.00 -0.86 -5.00 120.51 117.99 1xn5 n ALA 112 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1xn5 n ALA 112 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.50 1xn5 n ALA 112 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xn5 n GLU 113 N -0.38 0.10 0.10 0.00 1.02 -1.26 -1.52 120.64 118.71 1xn5 n GLU 113 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xn5 n GLU 113 Cb 0.00 -1.23 0.31 0.00 -0.02 0.00 0.00 31.44 30.51 1xn5 n GLU 113 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xn5 h SER 114 N -0.25 0.24 0.51 1.62 4.64 -1.37 0.16 113.55 119.10 1xn5 h SER 114 Ca -0.43 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 60.61 1xn5 h SER 114 Cb 1.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1xn5 h SER 114 CO 0.39 0.50 -0.93 0.00 -0.87 0.00 0.00 176.83 175.92 1xn5 h ALA 115 N 1.52 0.44 0.16 5.18 0.00 -1.88 -1.31 119.26 123.37 1xn5 h ALA 115 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1xn5 h ALA 115 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xn5 h ALA 115 CO 0.04 0.89 -0.08 0.28 0.00 0.00 0.00 179.25 180.38 1xn5 h VAL 116 N 0.15 0.96 -0.98 0.00 2.07 -1.75 -1.33 116.25 115.37 1xn5 h VAL 116 Ca -0.06 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.56 1xn5 h VAL 116 Cb 1.57 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 1xn5 h VAL 116 CO 0.15 0.21 0.64 1.62 0.02 0.00 0.00 177.57 180.21 1xn5 h VAL 117 N -0.70 1.16 0.00 2.57 3.04 -0.77 0.39 116.25 121.94 1xn5 h VAL 117 Ca -0.02 -0.42 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1xn5 h VAL 117 Cb 0.50 -0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.59 1xn5 h VAL 117 CO 0.04 0.23 -0.05 -0.74 -1.01 0.00 0.00 177.57 176.03 1xn5 h HIS 118 N 1.23 -0.12 -0.73 3.17 6.17 -1.19 0.35 115.15 124.04 1xn5 h HIS 118 Ca 0.39 0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.41 1xn5 h HIS 118 Cb 0.02 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 1xn5 h HIS 118 CO -0.00 -0.08 0.21 0.93 0.71 0.00 0.00 177.93 179.70 1xn5 h GLU 119 N -0.09 1.15 0.76 5.26 5.08 -0.50 1.24 114.58 127.48 1xn5 h GLU 119 Ca 0.02 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1xn5 h GLU 119 Cb 0.11 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xn5 h GLU 119 CO -0.05 0.99 -0.36 0.00 -1.00 0.00 0.00 179.01 178.59 1xn5 h ARG 120 N 1.10 -0.98 -0.34 2.33 3.08 0.25 0.27 114.38 120.09 1xn5 h ARG 120 Ca 0.23 0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 1xn5 h ARG 120 Cb 0.34 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1xn5 h ARG 120 CO -0.00 -0.65 -0.13 0.52 -1.07 0.00 0.00 179.97 178.63 1xn5 h MET 121 N -1.03 0.70 -0.77 0.04 2.86 -0.25 -1.99 114.93 114.48 1xn5 h MET 121 Ca -0.10 -0.29 0.14 0.00 -2.06 0.00 0.00 59.70 57.38 1xn5 h MET 121 Cb 0.78 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.32 1xn5 h MET 121 CO 0.17 0.89 0.34 0.22 1.06 0.00 0.00 176.91 179.59 1xn5 h ASP 122 N 0.48 0.37 0.08 1.22 3.58 0.16 1.45 116.42 123.75 1xn5 h ASP 122 Ca 0.08 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1xn5 h ASP 122 Cb 0.66 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1xn5 h ASP 122 CO 0.04 0.15 -0.04 0.03 -2.88 0.00 0.00 179.24 176.55 1xn5 h ARG 123 N 0.51 -0.10 -0.32 0.28 2.47 -0.78 -1.73 114.38 114.71 1xn5 h ARG 123 Ca 0.42 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1xn5 h ARG 123 Cb 0.61 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1xn5 h ARG 123 CO -0.38 0.18 0.20 0.78 0.56 0.00 0.00 179.97 181.31 1xn5 h GLY 124 N -0.38 0.46 0.44 0.04 0.00 -0.47 0.63 103.07 103.79 1xn5 h GLY 124 Ca -0.01 -0.18 0.14 0.00 0.00 0.00 0.00 47.33 47.28 1xn5 h GLY 124 CO 0.02 0.18 0.61 1.49 0.00 0.00 0.00 176.54 178.83 1xn5 h TRP 125 N 0.43 1.01 0.18 5.60 4.06 0.20 1.36 115.95 128.79 1xn5 h TRP 125 Ca 0.12 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 1xn5 h TRP 125 Cb -0.02 -0.32 0.00 0.00 -1.00 0.00 0.00 29.16 27.82 1xn5 h TRP 125 CO -0.05 0.37 -0.09 1.25 -3.56 0.00 0.00 178.44 176.36 1xn5 h HIS 126 N 0.85 -0.23 -0.96 0.49 2.76 -0.35 -1.99 115.15 115.72 1xn5 h HIS 126 Ca 0.49 -0.01 0.16 0.00 -2.20 0.00 0.00 60.37 58.82 1xn5 h HIS 126 Cb 0.64 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.59 1xn5 h HIS 126 CO -0.00 0.18 0.61 -0.44 -1.30 0.00 0.00 177.93 176.97 1xn5 h ASP 127 N -0.88 0.74 0.19 3.26 5.19 0.10 0.12 116.42 125.14 1xn5 h ASP 127 Ca -0.03 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 1xn5 h ASP 127 Cb 0.51 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1xn5 h ASP 127 CO 0.04 0.33 -0.09 0.25 -3.12 0.00 0.00 179.24 176.65 1xn5 h LEU 128 N 0.76 -0.22 -3.55 1.55 5.85 0.18 -2.37 115.31 117.51 1xn5 h LEU 128 Ca 0.51 -0.07 -0.39 0.00 0.84 0.00 0.00 57.88 58.78 1xn5 h LEU 128 Cb 0.79 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.70 1xn5 h LEU 128 CO -0.28 -0.07 0.50 0.55 -0.34 0.00 0.00 178.44 178.80 1xn5 n VAL 129 N -5.16 2.90 0.01 1.05 3.14 -0.19 -0.65 118.33 119.43 1xn5 n VAL 129 Ca -0.09 -1.84 0.00 0.00 -2.96 0.00 0.00 64.34 59.45 1xn5 n VAL 129 Cb 0.16 -1.24 0.00 0.00 -1.06 0.00 0.00 33.84 31.69 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 0.04 0.25 0.00 6.55 2.85 0.25 -4.65 115.26 120.55 1xn5 n ASN 130 Ca 0.37 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1xn5 n ASN 130 Cb 0.65 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1xn5 n ASN 130 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1xn5 n GLU 131 N -2.74 2.20 -0.26 1.20 -0.00 -1.12 -4.17 120.64 115.75 1xn5 n GLU 131 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.20 1xn5 n GLU 131 Cb 0.00 -1.00 0.27 0.00 -0.00 0.00 0.00 31.44 30.72 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 0.92 0.00 3.44 2.47 -1.56 0.38 114.38 120.03 1xn5 h ARG 132 Ca 0.00 -0.06 -0.25 0.00 -1.26 0.00 0.00 59.98 58.42 1xn5 h ARG 132 Cb 0.99 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 1xn5 h ARG 132 CO 0.00 0.61 -1.36 1.25 0.56 0.00 0.00 179.97 181.03 1xn5 h LEU 133 N 0.95 0.00 -0.83 3.04 5.85 -1.15 -3.32 115.31 119.85 1xn5 h LEU 133 Ca 0.35 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1xn5 h LEU 133 Cb 0.18 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1xn5 h LEU 133 CO -0.12 0.96 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.82 1xn5 h ARG 134 N 0.00 0.84 0.00 1.25 2.43 -1.40 -1.95 114.38 115.56 1xn5 h ARG 134 Ca -0.16 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1xn5 h ARG 134 Cb 1.87 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1xn5 h ARG 134 CO 0.10 0.86 -0.08 0.37 -1.51 0.00 0.00 179.97 179.71 1xn5 h GLN 135 N 0.78 0.00 0.00 0.20 4.15 -0.38 1.44 115.11 121.30 1xn5 h GLN 135 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1xn5 h GLN 135 Cb 0.51 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1xn5 h GLN 135 CO 0.03 0.08 -0.22 0.82 -1.93 0.00 0.00 178.83 177.62 1xn5 h ILE 136 N 0.00 0.77 0.00 2.39 1.08 -1.45 -2.86 117.51 117.45 1xn5 h ILE 136 Ca -0.00 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1xn5 h ILE 136 Cb 0.27 1.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1xn5 h ILE 136 CO 0.01 0.21 -1.36 1.33 -0.69 0.00 0.00 178.15 177.65 1xn5 n VAL 137 N -3.73 0.00 0.75 1.67 0.24 -0.19 -5.04 118.33 112.03 1xn5 n VAL 137 Ca -0.01 -0.24 0.09 0.00 -2.04 0.00 0.00 64.34 62.14 1xn5 n VAL 137 Cb 0.33 0.35 0.07 0.00 -1.47 0.00 0.00 33.84 33.12 1xn5 n VAL 137 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07