#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x31 s MET 2 N 0.00 3.20 -0.23 2.12 1.00 -1.26 -4.85 119.30 119.28 1x31 s MET 2 Ca 0.00 1.91 -0.06 0.00 0.00 0.00 0.00 55.69 57.55 1x31 s MET 2 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 34.83 32.69 1x31 s MET 2 CO 0.00 -1.05 0.02 -1.17 0.00 0.00 0.00 175.02 172.83 1x31 s LEU 3 N -3.69 3.23 -0.15 -0.03 2.96 -1.26 -1.04 118.68 118.69 1x31 s LEU 3 Ca 0.73 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1x31 s LEU 3 Cb -0.32 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1x31 s LEU 3 CO 0.37 -0.01 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.68 1x31 s ILE 4 N 1.45 3.40 -0.66 6.68 1.01 -0.28 -4.92 121.20 127.88 1x31 s ILE 4 Ca 0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 1x31 s ILE 4 Cb -0.15 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.92 1x31 s ILE 4 CO 0.01 0.50 0.96 -0.70 0.00 0.00 0.00 174.94 175.70 1x31 s GLU 5 N 0.56 3.12 0.12 2.79 2.12 -1.26 -1.33 118.70 124.81 1x31 s GLU 5 Ca -0.06 -0.88 -0.31 0.00 0.36 0.00 0.00 54.97 54.09 1x31 s GLU 5 Cb -0.15 -4.25 -0.07 0.00 0.26 0.00 0.00 34.13 29.92 1x31 s GLU 5 CO 0.03 -1.81 1.30 0.00 -0.54 0.00 0.00 175.26 174.25 1x31 h PRO 7 N 6.43 0.00 0.02 0.00 0.11 -1.95 -0.15 132.00 136.46 1x31 h PRO 7 Ca -0.43 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.30 1x31 h PRO 7 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1x31 h PRO 7 CO 0.82 0.00 -2.21 0.09 -0.21 0.00 0.00 178.00 176.49 1x31 n ASN 8 N -3.96 1.97 -0.38 -2.05 3.02 -1.26 -4.68 115.26 107.92 1x31 n ASN 8 Ca 0.05 0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.91 1x31 n ASN 8 Cb 0.46 -0.74 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1x31 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x31 n GLY 10 N 1.42 -1.88 3.70 0.00 0.00 -0.08 -4.89 105.19 103.46 1x31 n GLY 10 Ca 0.09 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1x31 n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1x31 s PRO 11 N 0.00 4.22 0.03 1.61 0.02 -1.26 -1.21 135.00 138.41 1x31 s PRO 11 Ca 0.00 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 1x31 s PRO 11 Cb 0.00 -3.44 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 1x31 s PRO 11 CO 0.00 -0.66 -0.02 1.03 -0.33 0.00 0.00 177.00 177.02 1x31 s ARG 12 N 2.08 0.46 0.59 5.54 1.81 -0.44 -4.95 118.95 124.03 1x31 s ARG 12 Ca 0.71 -0.89 -0.19 0.00 -1.72 0.00 0.00 55.73 53.64 1x31 s ARG 12 Cb -0.40 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 1x31 s ARG 12 CO 0.31 -0.08 1.24 -0.80 -0.68 0.00 0.00 175.30 175.29 1x31 s ASN 13 N -2.14 5.13 0.44 0.23 0.01 -1.26 -1.12 114.94 116.22 1x31 s ASN 13 Ca -0.05 2.48 0.18 0.00 -0.71 0.00 0.00 52.86 54.76 1x31 s ASN 13 Cb -0.02 -2.61 1.11 0.00 0.41 0.00 0.00 41.25 40.14 1x31 s ASN 13 CO -0.05 -1.64 1.90 1.05 -1.51 0.00 0.00 177.10 176.85 1x31 h GLU 14 N 0.95 0.35 0.00 -0.60 4.11 -1.42 -1.47 114.58 116.51 1x31 h GLU 14 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.90 1x31 h GLU 14 Cb 1.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1x31 h GLU 14 CO 0.55 0.23 0.00 0.27 0.07 0.00 0.00 179.01 180.14 1x31 n ASN 15 N -4.47 0.00 -0.74 3.06 6.94 -1.26 -1.44 115.26 117.35 1x31 n ASN 15 Ca 0.16 -1.10 0.13 0.00 -0.02 0.00 0.00 54.58 53.75 1x31 n ASN 15 Cb 0.61 0.00 0.30 0.00 -2.36 0.00 0.00 39.78 38.33 1x31 n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1x31 n GLU 16 N -0.73 2.02 -4.37 -3.83 1.02 -0.55 -4.91 120.64 109.29 1x31 n GLU 16 Ca 0.08 -1.49 -0.21 0.00 -0.02 0.00 0.00 57.16 55.52 1x31 n GLU 16 Cb 0.04 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.88 1x31 n GLU 16 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x31 s PHE 17 N -1.98 1.89 0.03 -0.32 0.08 -0.52 -1.23 117.98 115.93 1x31 s PHE 17 Ca 0.33 -0.48 0.08 0.00 0.12 0.00 0.00 56.93 56.97 1x31 s PHE 17 Cb 0.20 -0.88 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 1x31 s PHE 17 CO 0.32 0.44 -0.23 0.15 -0.10 0.00 0.00 175.22 175.80 1x31 s LYS 18 N -3.37 1.98 0.17 0.44 1.02 -0.43 -4.89 119.74 114.66 1x31 s LYS 18 Ca 0.23 -1.01 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 1x31 s LYS 18 Cb -0.03 -2.09 -0.08 0.00 -0.52 0.00 0.00 37.83 35.11 1x31 s LYS 18 CO 0.09 0.54 0.81 -0.47 -0.92 0.00 0.00 175.35 175.39 1x31 s TYR 19 N -0.82 3.91 -0.29 3.18 5.04 -1.26 -1.79 117.35 125.32 1x31 s TYR 19 Ca 0.12 1.68 0.04 0.00 -2.44 0.00 0.00 57.07 56.48 1x31 s TYR 19 Cb -0.10 -2.82 0.10 0.00 0.35 0.00 0.00 41.96 39.49 1x31 s TYR 19 CO 0.03 0.48 1.09 0.41 -1.34 0.00 0.00 175.55 176.21 1x31 n GLY 20 N 1.64 2.97 7.00 8.97 0.00 0.08 -4.94 105.19 120.91 1x31 n GLY 20 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1x31 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 21 N -0.20 -0.29 3.71 -0.02 0.00 -1.25 -4.60 105.19 102.53 1x31 n GLY 21 Ca 0.04 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1x31 n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x31 n GLU 22 N -0.00 2.26 -2.73 1.61 2.13 -1.26 0.15 120.64 122.80 1x31 n GLU 22 Ca 0.00 0.80 -0.25 0.00 0.66 0.00 0.00 57.16 58.36 1x31 n GLU 22 Cb 0.00 -2.43 0.01 0.00 0.27 0.00 0.00 31.44 29.30 1x31 n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x31 s ALA 23 N -0.91 3.51 -1.22 4.31 0.00 -0.23 -4.54 121.76 122.68 1x31 s ALA 23 Ca 0.57 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1x31 s ALA 23 Cb -0.55 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1x31 s ALA 23 CO 0.60 -0.49 0.57 0.72 0.00 0.00 0.00 175.76 177.16 1x31 n HIS 24 N -2.27 -1.71 -3.84 0.00 8.25 -1.26 -4.93 115.22 109.46 1x31 n HIS 24 Ca 0.02 0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 57.64 1x31 n HIS 24 Cb 0.57 -3.90 -0.12 0.00 1.12 0.00 0.00 29.99 27.66 1x31 n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1x31 s VAL 25 N -3.09 3.13 0.56 1.59 1.01 -1.26 -5.09 120.40 117.24 1x31 s VAL 25 Ca 0.28 -3.21 -0.15 0.00 0.00 0.00 0.00 61.98 58.89 1x31 s VAL 25 Cb -0.12 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1x31 s VAL 25 CO 0.35 -0.85 1.01 0.00 0.00 0.00 0.00 175.10 175.62 1x31 s ALA 26 N -0.26 2.96 0.36 5.51 0.00 -1.26 -5.02 121.76 124.05 1x31 s ALA 26 Ca 0.17 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1x31 s ALA 26 Cb -0.23 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 1x31 s ALA 26 CO -0.02 -0.49 1.34 -0.47 0.00 0.00 0.00 175.76 176.13 1x31 s TYR 27 N -2.65 2.88 0.20 0.00 5.04 -1.26 -4.91 117.35 116.64 1x31 s TYR 27 Ca 0.60 1.36 -0.33 0.00 -2.44 0.00 0.00 57.07 56.26 1x31 s TYR 27 Cb -0.12 -3.75 -0.13 0.00 0.35 0.00 0.00 41.96 38.31 1x31 s TYR 27 CO 0.36 -2.17 1.66 -2.30 -1.34 0.00 0.00 175.55 171.76 1x31 n PRO 28 N 0.51 2.55 -0.31 4.97 -0.02 -1.26 -4.85 135.00 136.59 1x31 n PRO 28 Ca 0.01 0.92 0.21 0.00 -2.02 0.00 0.00 63.50 62.63 1x31 n PRO 28 Cb 0.42 -2.73 0.50 0.00 -0.02 0.00 0.00 33.50 31.66 1x31 n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1x31 h GLU 29 N 6.36 0.41 -1.60 -0.52 4.57 -2.05 -3.31 114.58 118.43 1x31 h GLU 29 Ca -0.44 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.46 1x31 h GLU 29 Cb 1.22 -0.09 -0.27 0.00 -0.16 0.00 0.00 28.75 29.45 1x31 h GLU 29 CO 0.92 0.27 -0.61 0.34 -1.18 0.00 0.00 179.01 178.76 1x31 s ASP 30 N -5.36 0.17 0.54 1.04 2.15 -1.26 -5.03 116.67 108.93 1x31 s ASP 30 Ca -0.09 -1.34 0.27 0.00 0.43 0.00 0.00 52.55 51.82 1x31 s ASP 30 Cb 0.25 1.06 1.44 0.00 -0.30 0.00 0.00 42.92 45.37 1x31 s ASP 30 CO 0.79 -0.22 1.97 1.55 -0.17 0.00 0.00 175.17 179.10 1x31 h PRO 31 N 6.96 0.00 0.00 4.34 0.13 -1.97 0.41 132.00 141.86 1x31 h PRO 31 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 1x31 h PRO 31 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1x31 h PRO 31 CO 0.16 0.00 -0.19 -0.91 -0.23 0.00 0.00 178.00 176.83 1x31 h ASN 32 N 0.00 0.00 0.61 1.44 2.35 -1.95 -1.62 115.58 116.41 1x31 h ASN 32 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1x31 h ASN 32 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1x31 h ASN 32 CO -0.00 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 1x31 n ALA 33 N -2.29 2.29 -2.61 -0.83 0.00 0.13 -4.82 120.51 112.39 1x31 n ALA 33 Ca -0.01 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.97 1x31 n ALA 33 Cb 0.33 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 1x31 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x31 s LEU 34 N -2.69 4.33 0.79 0.00 1.43 -0.61 -5.09 118.68 116.85 1x31 s LEU 34 Ca 0.22 0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1x31 s LEU 34 Cb 0.18 -3.02 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1x31 s LEU 34 CO 0.42 0.15 1.10 -0.94 0.23 0.00 0.00 176.35 177.31 1x31 s SER 35 N -1.88 4.55 0.51 2.29 1.04 -1.26 -4.81 113.70 114.14 1x31 s SER 35 Ca 0.34 1.31 0.22 0.00 0.48 0.00 0.00 55.95 58.30 1x31 s SER 35 Cb -0.13 -2.05 1.36 0.00 0.10 0.00 0.00 66.02 65.29 1x31 s SER 35 CO 0.19 -1.94 2.10 0.44 0.98 0.00 0.00 173.24 175.02 1x31 h ASP 36 N -1.06 0.00 -0.12 7.02 3.32 -1.98 -1.03 116.42 122.56 1x31 h ASP 36 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1x31 h ASP 36 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1x31 h ASP 36 CO 0.59 0.09 -0.10 0.50 -1.72 0.00 0.00 179.24 178.61 1x31 h LYS 37 N 0.00 0.28 -0.25 3.56 3.64 -1.99 -1.62 116.57 120.18 1x31 h LYS 37 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1x31 h LYS 37 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1x31 h LYS 37 CO 0.01 0.66 -0.13 0.93 -2.27 0.00 0.00 179.45 178.65 1x31 h GLU 38 N -0.10 0.42 -0.21 1.90 5.08 -1.80 -2.51 114.58 117.36 1x31 h GLU 38 Ca 0.02 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1x31 h GLU 38 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1x31 h GLU 38 CO 0.02 0.55 -0.47 2.35 -1.00 0.00 0.00 179.01 180.46 1x31 h TRP 39 N 0.39 0.66 0.00 4.33 -0.00 -1.14 -2.74 115.95 117.45 1x31 h TRP 39 Ca 0.07 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.89 58.68 1x31 h TRP 39 Cb 0.46 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.48 1x31 h TRP 39 CO 0.01 0.91 -0.33 0.66 -0.00 0.00 0.00 178.44 179.70 1x31 h SER 40 N 0.43 0.00 -0.33 2.65 4.64 -0.91 -1.95 113.55 118.08 1x31 h SER 40 Ca 0.02 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 1x31 h SER 40 Cb 0.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1x31 h SER 40 CO 0.09 0.33 -0.19 0.03 -0.87 0.00 0.00 176.83 176.22 1x31 h ARG 41 N 0.00 0.71 -0.52 4.77 -0.00 -1.17 -0.14 114.38 118.03 1x31 h ARG 41 Ca -0.00 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.98 59.08 1x31 h ARG 41 Cb 0.60 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.54 1x31 h ARG 41 CO 0.04 0.93 0.03 -0.92 0.00 0.00 0.00 179.97 180.05 1x31 h TYR 42 N 0.48 0.92 -0.05 3.04 3.20 -1.26 -0.65 116.97 122.65 1x31 h TYR 42 Ca 0.07 -0.13 -0.22 0.00 3.14 0.00 0.00 58.73 61.60 1x31 h TYR 42 Cb 0.73 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 38.76 1x31 h TYR 42 CO 0.06 0.83 -0.81 -0.07 -1.64 0.00 0.00 178.16 176.52 1x31 h LEU 43 N 0.81 0.80 -0.99 2.82 3.38 -1.22 -3.41 115.31 117.50 1x31 h LEU 43 Ca 0.16 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1x31 h LEU 43 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x31 h LEU 43 CO 0.02 1.39 0.00 0.49 0.09 0.00 0.00 178.44 180.43 1x31 n PHE 44 N -4.01 0.00 -4.64 1.13 3.72 -0.08 -5.05 117.46 108.54 1x31 n PHE 44 Ca -0.10 -0.07 -0.33 0.00 -0.05 0.00 0.00 57.45 56.90 1x31 n PHE 44 Cb 0.77 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 39.16 1x31 n PHE 44 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1x31 s TYR 45 N -0.14 2.85 0.06 1.38 2.02 -0.25 -5.02 117.35 118.25 1x31 s TYR 45 Ca 0.00 -0.64 -0.09 0.00 -0.37 0.00 0.00 57.07 55.97 1x31 s TYR 45 Cb 0.00 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 1x31 s TYR 45 CO 0.00 -0.23 0.19 1.03 -1.57 0.00 0.00 175.55 174.97 1x31 s ARG 46 N 0.47 0.75 0.64 -0.62 1.81 -1.26 -4.67 118.95 116.06 1x31 s ARG 46 Ca -0.08 -0.77 -0.17 0.00 -1.72 0.00 0.00 55.73 52.98 1x31 s ARG 46 Cb -0.15 0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.64 1x31 s ARG 46 CO 0.04 -0.22 1.20 0.20 -0.68 0.00 0.00 175.30 175.84 1x31 s GLY 47 N -2.40 2.58 -0.29 -3.53 0.00 -1.26 -4.96 107.32 97.46 1x31 s GLY 47 Ca -0.01 0.93 0.21 0.00 0.00 0.00 0.00 44.72 45.85 1x31 s GLY 47 CO -0.07 1.33 1.04 -2.01 0.00 0.00 0.00 173.10 173.39 1x31 n ASN 48 N -1.99 1.55 -4.69 1.64 5.15 -1.26 -4.77 115.26 110.89 1x31 n ASN 48 Ca 0.13 -2.33 -0.43 0.00 -0.60 0.00 0.00 54.58 51.36 1x31 n ASN 48 Cb 0.50 -0.50 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1x31 n ASN 48 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1x31 n LYS 49 N -0.37 2.14 -3.39 1.20 4.81 -1.26 -4.96 118.16 116.32 1x31 n LYS 49 Ca 0.08 0.75 -0.45 0.00 -0.87 0.00 0.00 58.31 57.83 1x31 n LYS 49 Cb 0.81 -2.36 -0.05 0.00 0.02 0.00 0.00 35.03 33.45 1x31 n LYS 49 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1x31 s LYS 50 N -1.50 3.07 0.00 1.64 2.20 -1.26 -4.73 119.74 119.16 1x31 s LYS 50 Ca 0.59 -2.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.17 1x31 s LYS 50 Cb -0.58 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.50 1x31 s LYS 50 CO 0.59 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 1x31 n GLY 51 N 4.64 0.41 3.61 5.54 0.00 -1.26 -4.95 105.19 113.19 1x31 n GLY 51 Ca -0.02 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1x31 n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 52 N -4.00 3.73 -0.04 -0.61 1.01 -1.26 -0.21 121.20 119.82 1x31 s ILE 52 Ca 0.00 0.78 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1x31 s ILE 52 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1x31 s ILE 52 CO 0.00 -0.47 -0.21 0.12 0.00 0.00 0.00 174.94 174.38 1x31 s PHE 53 N 5.68 2.50 -0.38 3.97 5.36 0.32 -4.90 117.98 130.53 1x31 s PHE 53 Ca 0.70 -0.37 -0.21 0.00 -0.96 0.00 0.00 56.93 56.09 1x31 s PHE 53 Cb -0.20 -1.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.91 1x31 s PHE 53 CO 0.31 0.02 0.69 0.00 -1.46 0.00 0.00 175.22 174.78 1x31 s ALA 54 N -0.58 3.42 0.36 11.12 0.00 -1.26 -1.47 121.76 133.36 1x31 s ALA 54 Ca 0.08 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1x31 s ALA 54 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1x31 s ALA 54 CO 0.00 -1.50 0.09 -1.83 0.00 0.00 0.00 175.76 172.53 1x31 s GLU 55 N 2.89 1.78 0.09 0.00 -1.05 0.82 -1.06 118.70 122.17 1x31 s GLU 55 Ca 0.27 -2.04 0.09 0.00 -0.15 0.00 0.00 54.97 53.14 1x31 s GLU 55 Cb -0.14 -0.74 -0.04 0.00 -0.44 0.00 0.00 34.13 32.78 1x31 s GLU 55 CO 0.17 -0.33 -0.23 1.03 0.95 0.00 0.00 175.26 176.85 1x31 s ARG 56 N -3.82 1.70 0.03 -4.83 0.52 0.12 -0.66 118.95 112.00 1x31 s ARG 56 Ca 0.30 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.30 1x31 s ARG 56 Cb 0.06 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 1x31 s ARG 56 CO 0.14 0.49 0.01 -1.58 0.02 0.00 0.00 175.30 174.38 1x31 s TRP 57 N -0.99 0.28 -0.07 -0.53 0.52 -0.51 -0.74 118.94 116.90 1x31 s TRP 57 Ca 0.14 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1x31 s TRP 57 Cb -0.10 -0.21 0.02 0.00 -1.15 0.00 0.00 33.47 32.03 1x31 s TRP 57 CO 0.06 -0.27 -0.05 0.54 0.02 0.00 0.00 176.95 177.25 1x31 s VAL 58 N -2.16 0.67 -1.39 4.03 0.11 -0.74 -1.00 120.40 119.91 1x31 s VAL 58 Ca -0.09 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.68 1x31 s VAL 58 Cb -0.04 -0.71 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1x31 s VAL 58 CO -0.03 0.28 2.29 1.57 -3.33 0.00 0.00 175.10 175.87 1x31 n HIS 59 N 4.45 3.14 0.22 1.54 -0.00 -0.95 -1.31 115.22 122.31 1x31 n HIS 59 Ca -0.18 -2.83 0.15 0.00 0.46 0.00 0.00 57.72 55.32 1x31 n HIS 59 Cb 0.51 -2.43 0.80 0.00 -0.12 0.00 0.00 29.99 28.74 1x31 n HIS 59 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1x31 h SER 60 N 6.10 0.00 -0.35 0.26 4.64 -1.86 0.75 113.55 123.10 1x31 h SER 60 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1x31 h SER 60 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1x31 h SER 60 CO 1.88 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.45 1x31 n GLY 61 N -1.44 1.19 0.00 -0.77 0.00 -0.36 -4.68 105.19 99.13 1x31 n GLY 61 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1x31 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 62 N 1.35 2.87 0.14 -0.02 0.00 -0.18 -4.97 105.19 104.37 1x31 n GLY 62 Ca 0.18 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 46.00 1x31 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 n ARG 64 N -2.33 -1.35 -3.94 0.00 1.74 0.25 -4.99 116.66 106.03 1x31 n ARG 64 Ca 0.03 0.93 -0.34 0.00 -0.77 0.00 0.00 57.85 57.71 1x31 n ARG 64 Cb 0.30 -5.34 -0.05 0.00 -1.02 0.00 0.00 32.46 26.35 1x31 n ARG 64 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x31 s LYS 65 N -4.46 3.36 0.22 5.56 -0.14 -1.26 -4.73 119.74 118.29 1x31 s LYS 65 Ca 0.00 -0.34 -0.19 0.00 -1.36 0.00 0.00 55.97 54.09 1x31 s LYS 65 Cb 0.00 -3.06 -0.08 0.00 -1.68 0.00 0.00 37.83 33.01 1x31 s LYS 65 CO 0.00 0.68 0.70 -1.58 -0.76 0.00 0.00 175.35 174.39 1x31 s TRP 66 N -1.28 3.62 0.27 3.18 0.52 -1.26 -2.23 118.94 121.76 1x31 s TRP 66 Ca 0.25 1.33 -0.13 0.00 0.02 0.00 0.00 56.10 57.57 1x31 s TRP 66 Cb -0.12 -2.58 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 1x31 s TRP 66 CO 0.17 0.33 0.54 -0.59 0.02 0.00 0.00 176.95 177.41 1x31 s PHE 67 N -1.56 0.34 0.30 -1.98 -0.12 -0.17 -4.11 117.98 110.67 1x31 s PHE 67 Ca 0.43 -0.73 0.09 0.00 -0.05 0.00 0.00 56.93 56.68 1x31 s PHE 67 Cb -0.16 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1x31 s PHE 67 CO 0.20 -1.09 0.06 -0.80 -0.05 0.00 0.00 175.22 173.54 1x31 s ASN 68 N -3.03 4.61 0.03 1.98 0.01 0.75 -1.43 114.94 117.86 1x31 s ASN 68 Ca 0.21 -0.70 -0.25 0.00 -0.71 0.00 0.00 52.86 51.41 1x31 s ASN 68 Cb -0.02 -0.80 0.06 0.00 0.41 0.00 0.00 41.25 40.90 1x31 s ASN 68 CO 0.10 -0.13 0.57 0.00 -1.51 0.00 0.00 177.10 176.14 1x31 s ALA 69 N -2.37 -1.49 -0.23 0.60 0.00 0.16 -0.83 121.76 117.60 1x31 s ALA 69 Ca 0.34 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 1x31 s ALA 69 Cb -0.04 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 1x31 s ALA 69 CO 0.21 -0.50 -0.03 -0.51 0.00 0.00 0.00 175.76 174.93 1x31 s LEU 70 N -1.85 3.03 0.00 0.00 1.43 0.17 -0.13 118.68 121.33 1x31 s LEU 70 Ca -0.06 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1x31 s LEU 70 Cb -0.01 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1x31 s LEU 70 CO 0.00 -0.05 -0.07 -0.60 0.23 0.00 0.00 176.35 175.86 1x31 s ARG 71 N 1.47 0.56 -0.40 1.70 3.52 -0.54 0.13 118.95 125.40 1x31 s ARG 71 Ca 0.05 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1x31 s ARG 71 Cb -0.15 -0.52 0.02 0.00 -1.56 0.00 0.00 34.95 32.74 1x31 s ARG 71 CO -0.03 0.14 1.14 0.34 -0.81 0.00 0.00 175.30 176.08 1x31 s ASP 72 N -0.35 6.74 0.00 -2.12 -1.08 -0.49 -0.52 116.67 118.85 1x31 s ASP 72 Ca 0.01 0.77 0.17 0.00 -0.52 0.00 0.00 52.55 52.98 1x31 s ASP 72 Cb -0.04 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.90 1x31 s ASP 72 CO -0.00 -1.10 1.44 0.35 0.52 0.00 0.00 175.17 176.38 1x31 n THR 73 N 6.42 0.03 -0.14 1.71 -2.24 0.71 0.26 114.28 121.03 1x31 n THR 73 Ca 0.12 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.62 1x31 n THR 73 Cb 0.48 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 1x31 n THR 73 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1x31 n VAL 74 N -1.02 1.53 0.48 2.28 0.31 -1.26 -4.57 118.33 116.08 1x31 n VAL 74 Ca 0.13 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1x31 n VAL 74 Cb 0.06 -1.89 0.07 0.00 -0.91 0.00 0.00 33.84 31.17 1x31 n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1x31 n SER 75 N -4.26 0.67 -0.02 4.52 3.41 -1.20 -4.96 113.62 111.78 1x31 n SER 75 Ca -0.53 0.01 -0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1x31 n SER 75 Cb 0.87 0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1x31 n SER 75 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1x31 n TYR 76 N -2.14 0.00 -2.58 7.33 4.01 0.14 -4.99 117.16 118.92 1x31 n TYR 76 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1x31 n TYR 76 Cb 0.46 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.80 1x31 n TYR 76 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1x31 s GLU 77 N -0.71 4.43 0.19 -0.72 2.12 -1.23 -4.75 118.70 118.03 1x31 s GLU 77 Ca 0.00 1.54 -0.30 0.00 0.36 0.00 0.00 54.97 56.57 1x31 s GLU 77 Cb 0.00 -3.51 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 1x31 s GLU 77 CO 0.00 -0.30 1.04 -0.06 -0.54 0.00 0.00 175.26 175.40 1x31 s PHE 78 N 1.76 3.72 -0.08 5.30 0.40 -1.26 -1.39 117.98 126.42 1x31 s PHE 78 Ca 0.53 1.73 0.13 0.00 -0.60 0.00 0.00 56.93 58.71 1x31 s PHE 78 Cb -0.22 -3.17 -0.19 0.00 0.51 0.00 0.00 43.02 39.95 1x31 s PHE 78 CO 0.23 -0.20 0.16 1.63 0.70 0.00 0.00 175.22 177.73 1x31 n LYS 79 N 2.08 1.26 -3.58 0.44 4.76 0.12 -4.97 118.16 118.27 1x31 n LYS 79 Ca 0.01 -0.06 -0.06 0.00 -2.87 0.00 0.00 58.31 55.33 1x31 n LYS 79 Cb 0.47 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1x31 n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x31 s ALA 80 N -2.59 -2.01 -0.01 7.82 0.00 -1.15 -4.96 121.76 118.85 1x31 s ALA 80 Ca -0.06 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.46 1x31 s ALA 80 Cb 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 1x31 s ALA 80 CO 0.56 -0.51 -0.10 0.08 0.00 0.00 0.00 175.76 175.79 1x31 s VAL 81 N -2.11 0.76 0.02 0.00 1.01 -1.26 -0.66 120.40 118.17 1x31 s VAL 81 Ca 0.06 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1x31 s VAL 81 Cb -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1x31 s VAL 81 CO -0.05 0.22 0.28 -0.72 0.00 0.00 0.00 175.10 174.83 1x31 s TYR 82 N -0.17 -0.10 0.68 5.22 -0.85 -0.01 -4.97 117.35 117.15 1x31 s TYR 82 Ca 0.03 0.03 -0.15 0.00 -0.52 0.00 0.00 57.07 56.46 1x31 s TYR 82 Cb -0.04 0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.37 1x31 s TYR 82 CO -0.00 -0.43 1.15 1.03 -1.52 0.00 0.00 175.55 175.77 1x31 s ARG 83 N -2.01 2.58 0.34 -3.49 0.52 -1.26 -0.18 118.95 115.44 1x31 s ARG 83 Ca -0.09 1.53 -0.29 0.00 -0.52 0.00 0.00 55.73 56.37 1x31 s ARG 83 Cb -0.03 -1.91 -0.11 0.00 0.52 0.00 0.00 34.95 33.42 1x31 s ARG 83 CO -0.00 -1.45 1.43 0.00 0.02 0.00 0.00 175.30 175.30 1x31 s ALA 84 N -2.19 3.57 0.00 2.13 0.00 -1.26 -2.07 121.76 121.95 1x31 s ALA 84 Ca 0.70 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1x31 s ALA 84 Cb -0.24 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1x31 s ALA 84 CO 0.42 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1x31 n GLY 85 N 0.98 2.94 3.80 0.00 0.00 -1.26 -5.04 105.19 106.61 1x31 n GLY 85 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1x31 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x31 s GLU 86 N -0.00 4.18 0.49 1.61 2.02 -0.88 -5.03 118.70 121.10 1x31 s GLU 86 Ca 0.00 1.26 -0.20 0.00 0.02 0.00 0.00 54.97 56.05 1x31 s GLU 86 Cb 0.00 -2.31 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 1x31 s GLU 86 CO 0.00 -0.08 1.05 0.00 0.02 0.00 0.00 175.26 176.25 1x31 s ALA 87 N -1.98 2.85 0.11 5.21 0.00 -1.26 -4.92 121.76 121.77 1x31 s ALA 87 Ca 0.61 0.63 -0.33 0.00 0.00 0.00 0.00 51.96 52.87 1x31 s ALA 87 Cb -0.14 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 1x31 s ALA 87 CO 0.18 -0.37 1.74 -2.13 0.00 0.00 0.00 175.76 175.18 1x31 n ARG 88 N -1.01 2.44 -2.19 0.00 0.63 -1.26 -4.95 116.66 110.32 1x31 n ARG 88 Ca 0.10 0.89 -0.33 0.00 -0.92 0.00 0.00 57.85 57.59 1x31 n ARG 88 Cb 0.52 -2.72 -0.01 0.00 0.45 0.00 0.00 32.46 30.70 1x31 n ARG 88 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1x31 s PRO 89 N 2.16 3.54 -0.39 -0.14 0.04 -1.26 -5.02 135.00 133.93 1x31 s PRO 89 Ca 0.82 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 1x31 s PRO 89 Cb -0.60 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1x31 s PRO 89 CO 0.40 -0.62 0.28 -0.65 0.04 0.00 0.00 177.00 176.44 1x31 s GLN 90 N -3.99 3.07 0.00 4.56 1.11 -1.26 -5.13 119.66 118.02 1x31 s GLN 90 Ca 0.63 -0.95 0.06 0.00 0.01 0.00 0.00 55.36 55.11 1x31 s GLN 90 Cb -0.14 -3.92 0.35 0.00 -1.01 0.00 0.00 33.01 28.29 1x31 s GLN 90 CO 0.34 -0.68 0.82 1.28 0.01 0.00 0.00 175.29 177.06