#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o s SER 2 N 0.00 2.57 -0.25 1.61 0.15 -1.26 -5.11 113.70 111.41 1x4o s SER 2 Ca 0.00 -0.43 -0.37 0.00 0.70 0.00 0.00 55.95 55.85 1x4o s SER 2 Cb 0.00 -0.71 0.15 0.00 -1.71 0.00 0.00 66.02 63.75 1x4o s SER 2 CO 0.00 0.20 1.35 -0.44 1.20 0.00 0.00 173.24 175.54 1x4o s SER 3 N -0.06 -0.04 0.00 5.45 0.01 -1.26 -5.19 113.70 112.62 1x4o s SER 3 Ca -0.04 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1x4o s SER 3 Cb -0.12 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.15 1x4o s SER 3 CO 0.03 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1x4o n GLY 4 N -0.07 2.02 3.55 3.44 0.00 -1.26 -5.19 105.19 107.69 1x4o n GLY 4 Ca 0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4o s SER 5 N 0.00 -0.33 -0.30 1.61 0.01 -1.26 -5.14 113.70 108.29 1x4o s SER 5 Ca 0.00 -0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.04 1x4o s SER 5 Cb 0.00 0.40 0.18 0.00 0.21 0.00 0.00 66.02 66.81 1x4o s SER 5 CO 0.00 -0.66 1.17 -0.55 0.41 0.00 0.00 173.24 173.61 1x4o s SER 6 N -2.56 -0.05 0.32 2.44 0.15 -1.26 -5.18 113.70 107.56 1x4o s SER 6 Ca 0.06 -0.00 -0.07 0.00 0.70 0.00 0.00 55.95 56.64 1x4o s SER 6 Cb -0.01 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 65.04 1x4o s SER 6 CO -0.07 -0.01 0.54 0.61 1.20 0.00 0.00 173.24 175.51 1x4o n GLY 7 N 4.52 1.73 0.55 9.45 0.00 -1.26 -5.09 105.19 115.08 1x4o n GLY 7 Ca 0.09 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1x4o n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4o n LYS 8 N -0.48 0.29 -1.58 1.61 4.01 -1.26 -5.13 118.16 115.62 1x4o n LYS 8 Ca -0.03 0.12 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1x4o n LYS 8 Cb 0.51 -1.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.03 1x4o n LYS 8 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1x4o n VAL 9 N -3.85 -5.23 -3.92 -0.18 0.31 -1.26 -5.07 118.33 99.13 1x4o n VAL 9 Ca -0.16 2.35 -0.09 0.00 -0.01 0.00 0.00 64.34 66.42 1x4o n VAL 9 Cb 0.46 -3.22 -0.07 0.00 -0.91 0.00 0.00 33.84 30.10 1x4o n VAL 9 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1x4o s SER 10 N -3.04 0.08 0.56 4.52 1.04 -1.26 -5.09 113.70 110.51 1x4o s SER 10 Ca 0.00 -0.78 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 1x4o s SER 10 Cb 0.00 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1x4o s SER 10 CO 0.00 -0.82 1.05 -2.16 0.98 0.00 0.00 173.24 172.29 1x4o s PRO 11 N -3.92 3.48 1.07 4.02 0.04 -1.26 -4.56 135.00 133.88 1x4o s PRO 11 Ca 0.12 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1x4o s PRO 11 Cb 0.04 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.76 1x4o s PRO 11 CO -0.05 -0.68 1.21 -1.25 0.04 0.00 0.00 177.00 176.28 1x4o s PRO 12 N -3.91 -0.19 -0.23 0.56 0.04 -1.26 -4.94 135.00 125.07 1x4o s PRO 12 Ca 0.64 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 1x4o s PRO 12 Cb -0.15 -1.73 -0.17 0.00 0.04 0.00 0.00 34.50 32.49 1x4o s PRO 12 CO 0.33 -3.00 0.04 0.39 0.04 0.00 0.00 177.00 174.80 1x4o n GLU 13 N -4.22 0.57 -1.63 4.56 1.02 -1.26 -4.85 120.64 114.83 1x4o n GLU 13 Ca 0.14 0.48 -0.43 0.00 -0.02 0.00 0.00 57.16 57.33 1x4o n GLU 13 Cb 0.59 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 1x4o n GLU 13 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x4o n ASP 14 N -4.38 3.66 -0.03 1.62 2.03 -1.26 -4.85 116.55 113.33 1x4o n ASP 14 Ca -0.38 0.51 -0.10 0.00 0.52 0.00 0.00 54.79 55.34 1x4o n ASP 14 Cb 0.73 -1.54 -0.04 0.00 -0.72 0.00 0.00 41.12 39.55 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1x4o h GLU 15 N 13.11 0.18 -0.80 -0.67 4.81 -2.00 -0.98 114.58 128.23 1x4o h GLU 15 Ca -0.45 -0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1x4o h GLU 15 Cb 1.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1x4o h GLU 15 CO 0.95 0.12 0.81 0.93 -0.73 0.00 0.00 179.01 181.10 1x4o h GLU 16 N 0.19 0.00 0.06 1.92 5.08 -2.00 0.61 114.58 120.44 1x4o h GLU 16 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x4o h GLU 16 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x4o h GLU 16 CO -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.95 1x4o h ALA 17 N 1.13 -0.08 -1.92 3.43 0.00 -1.57 0.10 119.26 120.36 1x4o h ALA 17 Ca 0.38 -0.04 0.56 0.00 0.00 0.00 0.00 54.91 55.80 1x4o h ALA 17 Cb 2.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.74 1x4o h ALA 17 CO -0.00 -0.07 1.40 -0.22 0.00 0.00 0.00 179.25 180.35 1x4o h LYS 18 N -1.02 0.00 0.00 0.00 3.64 -0.48 1.37 116.57 120.08 1x4o h LYS 18 Ca -0.01 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1x4o h LYS 18 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1x4o h LYS 18 CO 0.01 0.00 -0.82 -0.97 -2.27 0.00 0.00 179.45 175.41 1x4o h ASN 19 N 0.00 0.00 -0.16 4.20 -0.73 -1.36 -3.19 115.58 114.34 1x4o h ASN 19 Ca 0.91 -0.53 0.05 0.00 1.87 0.00 0.00 56.30 58.60 1x4o h ASN 19 Cb 3.70 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 42.23 1x4o h ASN 19 CO -0.01 1.24 -0.20 -0.07 -0.37 0.00 0.00 177.43 178.02 1x4o h LEU 20 N -1.00 -0.63 -0.00 0.34 3.38 0.28 0.22 115.31 117.90 1x4o h LEU 20 Ca -0.21 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x4o h LEU 20 Cb 1.07 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1x4o h LEU 20 CO -0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 178.44 178.11 1x4o h ALA 21 N 0.80 -0.52 -0.37 1.53 0.00 0.12 0.36 119.26 121.17 1x4o h ALA 21 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1x4o h ALA 21 Cb 0.40 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1x4o h ALA 21 CO -0.30 -0.54 -0.31 1.49 0.00 0.00 0.00 179.25 179.59 1x4o h GLU 22 N -0.06 -0.11 -0.78 0.00 4.81 -1.49 0.26 114.58 117.21 1x4o h GLU 22 Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1x4o h GLU 22 Cb 0.06 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 1x4o h GLU 22 CO -0.03 -0.07 -0.48 0.87 -0.73 0.00 0.00 179.01 178.57 1x4o h LYS 23 N -0.12 -0.02 0.00 1.92 1.57 -0.37 1.49 116.57 121.04 1x4o h LYS 23 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x4o h LYS 23 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1x4o h LYS 23 CO -0.41 -0.01 0.00 -0.11 -0.57 0.00 0.00 179.45 178.35 1x4o n LEU 24 N -4.83 0.00 -0.25 2.94 -0.00 0.12 0.18 117.00 115.17 1x4o n LEU 24 Ca 0.01 0.94 -0.00 0.00 -0.00 0.00 0.00 56.01 56.96 1x4o n LEU 24 Cb 0.22 -0.44 0.07 0.00 -0.00 0.00 0.00 43.42 43.27 1x4o n LEU 24 CO -0.12 -0.44 0.70 0.00 -0.00 0.00 0.00 177.39 177.53 1x4o h ALA 25 N -1.25 0.37 -0.75 1.96 0.00 0.06 1.16 119.26 120.82 1x4o h ALA 25 Ca 0.00 0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1x4o h ALA 25 Cb 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1x4o h ALA 25 CO 0.00 -0.47 0.31 -0.09 0.00 0.00 0.00 179.25 179.00 1x4o h ARG 26 N -0.03 0.45 0.41 0.00 2.43 0.41 1.47 114.38 119.51 1x4o h ARG 26 Ca 0.33 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1x4o h ARG 26 Cb 0.54 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1x4o h ARG 26 CO -0.75 0.30 -0.20 0.35 -1.51 0.00 0.00 179.97 178.16 1x4o h PHE 27 N 0.46 -0.51 -0.53 2.20 3.57 0.74 -2.41 116.94 120.47 1x4o h PHE 27 Ca 0.41 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.05 1x4o h PHE 27 Cb 0.59 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1x4o h PHE 27 CO -0.16 -0.31 0.44 0.82 -2.23 0.00 0.00 178.31 176.88 1x4o h ILE 28 N -1.14 0.55 0.00 1.41 2.04 0.13 1.45 117.51 121.94 1x4o h ILE 28 Ca -0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1x4o h ILE 28 Cb 0.43 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1x4o h ILE 28 CO 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.97 1x4o h ALA 29 N 1.61 0.93 -0.00 1.87 0.00 0.21 -2.33 119.26 121.55 1x4o h ALA 29 Ca 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x4o h ALA 29 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x4o h ALA 29 CO -0.00 0.34 -0.03 -3.47 0.00 0.00 0.00 179.25 176.09 1x4o n ASP 30 N -3.31 0.03 0.00 0.00 2.03 0.49 -4.67 116.55 111.12 1x4o n ASP 30 Ca 0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1x4o n ASP 30 Cb 0.52 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4o n GLY 31 N 1.49 1.12 0.00 0.27 0.00 -0.88 -5.09 105.19 102.09 1x4o n GLY 31 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1x4o n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4o n GLY 32 N 5.00 1.20 0.00 -0.02 0.00 -1.20 -4.95 105.19 105.22 1x4o n GLY 32 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1x4o n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 33 N 0.00 0.62 -0.11 1.61 -0.04 -1.26 -2.45 135.00 133.37 1x4o n PRO 33 Ca 0.00 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 1x4o n PRO 33 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x4o n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.09 0.60 -0.22 0.54 2.13 -1.26 -4.11 120.64 117.24 1x4o n GLU 34 Ca 0.16 0.37 -0.07 0.00 0.66 0.00 0.00 57.16 58.28 1x4o n GLU 34 Cb 0.11 -1.61 0.04 0.00 0.27 0.00 0.00 31.44 30.25 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x4o h VAL 35 N -0.80 1.22 0.00 6.31 3.04 -1.88 -0.30 116.25 123.84 1x4o h VAL 35 Ca -0.54 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1x4o h VAL 35 Cb 1.57 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1x4o h VAL 35 CO -0.27 0.26 0.05 -1.84 -1.01 0.00 0.00 177.57 174.76 1x4o n GLU 36 N -4.48 0.11 -0.03 4.17 0.28 -1.02 0.14 120.64 119.80 1x4o n GLU 36 Ca 0.04 0.60 -0.02 0.00 -0.16 0.00 0.00 57.16 57.62 1x4o n GLU 36 Cb 0.13 -1.91 -0.01 0.00 1.43 0.00 0.00 31.44 31.09 1x4o n GLU 36 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1x4o n THR 37 N -2.10 0.66 -0.27 3.84 -1.04 -0.18 -3.18 114.28 112.01 1x4o n THR 37 Ca -0.01 0.37 -0.05 0.00 -2.04 0.00 0.00 64.05 62.31 1x4o n THR 37 Cb 0.07 -1.92 0.06 0.00 -1.82 0.00 0.00 70.33 66.73 1x4o n THR 37 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1x4o h ILE 38 N -0.47 1.21 -0.71 12.58 5.03 -1.17 1.60 117.51 135.59 1x4o h ILE 38 Ca 0.00 -0.47 0.02 0.00 -0.12 0.00 0.00 64.86 64.29 1x4o h ILE 38 Cb 0.26 0.18 -0.04 0.00 -3.03 0.00 0.00 36.82 34.18 1x4o h ILE 38 CO 0.00 0.22 0.46 0.00 -0.68 0.00 0.00 178.15 178.15 1x4o h ALA 39 N 1.24 0.91 0.18 1.87 0.00 0.10 0.24 119.26 123.80 1x4o h ALA 39 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1x4o h ALA 39 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1x4o h ALA 39 CO -0.05 0.27 -0.09 -0.07 0.00 0.00 0.00 179.25 179.31 1x4o h LEU 40 N 0.91 -0.21 -1.97 0.00 3.38 -1.32 0.17 115.31 116.28 1x4o h LEU 40 Ca 0.27 -0.29 0.33 0.00 0.09 0.00 0.00 57.88 58.29 1x4o h LEU 40 Cb -0.04 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1x4o h LEU 40 CO -0.08 0.34 0.83 -0.61 0.09 0.00 0.00 178.44 179.00 1x4o h GLN 41 N -0.93 0.01 0.00 1.13 4.15 0.24 0.27 115.11 119.98 1x4o h GLN 41 Ca -0.03 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1x4o h GLN 41 Cb 0.48 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1x4o h GLN 41 CO 0.04 0.01 -0.23 -0.91 -1.93 0.00 0.00 178.83 175.81 1x4o h ASN 42 N 0.01 0.00 -1.10 -0.69 2.35 -0.48 -3.31 115.58 112.37 1x4o h ASN 42 Ca 0.55 -0.25 0.32 0.00 -0.55 0.00 0.00 56.30 56.38 1x4o h ASN 42 Cb 2.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 40.52 1x4o h ASN 42 CO -0.02 0.75 0.95 0.78 -1.65 0.00 0.00 177.43 178.24 1x4o h ASN 43 N -1.00 0.00 -0.65 5.81 2.35 0.81 0.58 115.58 123.48 1x4o h ASN 43 Ca -0.03 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1x4o h ASN 43 Cb 0.43 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.71 1x4o h ASN 43 CO -0.02 0.00 0.18 0.03 -1.65 0.00 0.00 177.43 175.97 1x4o h ARG 44 N 0.00 0.30 -0.33 0.81 2.47 -0.62 -0.68 114.38 116.33 1x4o h ARG 44 Ca 0.52 -0.02 -0.17 0.00 -1.26 0.00 0.00 59.98 59.06 1x4o h ARG 44 Cb 2.41 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 30.66 1x4o h ARG 44 CO -0.01 0.20 -0.44 0.93 0.56 0.00 0.00 179.97 181.21 1x4o h GLU 45 N 0.31 0.88 -6.82 0.04 5.08 -0.01 -3.43 114.58 110.63 1x4o h GLU 45 Ca 0.35 -0.51 -0.52 0.00 -1.00 0.00 0.00 59.36 57.68 1x4o h GLU 45 Cb 0.53 0.04 0.06 0.00 0.50 0.00 0.00 28.75 29.88 1x4o h GLU 45 CO -0.41 1.15 0.69 -0.80 -1.00 0.00 0.00 179.01 178.64 1x4o s ASN 46 N -6.84 6.72 -0.22 1.42 -0.87 -0.26 -4.95 114.94 109.94 1x4o s ASN 46 Ca -0.11 2.68 -0.20 0.00 -1.57 0.00 0.00 52.86 53.66 1x4o s ASN 46 Cb 0.10 -2.64 -0.18 0.00 -0.02 0.00 0.00 41.25 38.51 1x4o s ASN 46 CO 0.88 -0.61 0.14 1.67 -2.57 0.00 0.00 177.10 176.60 1x4o n GLN 47 N 1.46 0.58 -0.33 -0.60 7.27 -1.26 -4.25 117.38 120.25 1x4o n GLN 47 Ca 0.03 0.52 0.12 0.00 0.07 0.00 0.00 57.00 57.74 1x4o n GLN 47 Cb 0.41 -1.71 0.25 0.00 2.41 0.00 0.00 30.24 31.60 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4o h ALA 48 N -0.54 1.05 0.00 1.69 0.00 -1.92 -1.89 119.26 117.65 1x4o h ALA 48 Ca -0.40 0.32 -0.41 0.00 0.00 0.00 0.00 54.91 54.42 1x4o h ALA 48 Cb 1.38 0.57 0.02 0.00 0.00 0.00 0.00 17.79 19.76 1x4o h ALA 48 CO -0.23 -0.52 2.56 1.19 0.00 0.00 0.00 179.25 182.25 1x4o n PHE 49 N -5.47 1.42 -0.06 0.00 3.72 -1.26 -4.15 117.46 111.66 1x4o n PHE 49 Ca 0.21 -1.93 -0.09 0.00 -0.05 0.00 0.00 57.45 55.58 1x4o n PHE 49 Cb 0.68 -1.67 -0.15 0.00 -0.94 0.00 0.00 39.48 37.40 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x4o n SER 50 N 4.61 0.45 0.19 4.37 3.41 -0.71 -4.03 113.62 121.91 1x4o n SER 50 Ca 0.45 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 1x4o n SER 50 Cb 0.16 0.46 0.62 0.00 -0.26 0.00 0.00 64.21 65.19 1x4o n SER 50 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1x4o h PHE 51 N 0.00 0.00 -0.01 7.33 -5.15 -1.84 0.40 116.94 117.67 1x4o h PHE 51 Ca -0.42 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.20 1x4o h PHE 51 Cb 2.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 38.28 1x4o h PHE 51 CO 0.00 0.00 -0.73 -0.07 -2.00 0.00 0.00 178.31 175.51 1x4o h LEU 52 N 0.00 0.06 0.00 2.10 3.38 -1.90 -2.56 115.31 116.39 1x4o h LEU 52 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x4o h LEU 52 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x4o h LEU 52 CO 0.00 0.77 -0.72 -1.22 0.09 0.00 0.00 178.44 177.36 1x4o n TYR 53 N -3.70 0.00 -1.46 1.13 4.01 0.11 -4.90 117.16 112.35 1x4o n TYR 53 Ca -0.01 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.26 1x4o n TYR 53 Cb 0.71 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 39.30 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1x4o n ASP 54 N -3.97 1.72 -0.03 7.72 8.00 0.67 -4.80 116.55 125.86 1x4o n ASP 54 Ca -0.10 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 1x4o n ASP 54 Cb 0.37 -1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.13 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4o h PRO 55 N 13.39 0.11 -1.49 -0.24 0.13 -1.88 -3.16 132.00 138.87 1x4o h PRO 55 Ca -0.21 -0.11 0.43 0.00 -0.87 0.00 0.00 66.00 65.24 1x4o h PRO 55 Cb 1.32 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1x4o h PRO 55 CO 1.12 0.83 1.07 -0.91 -0.23 0.00 0.00 178.00 179.89 1x4o h ASN 56 N -0.56 0.00 -3.02 1.44 4.21 -1.98 -3.38 115.58 112.30 1x4o h ASN 56 Ca -0.02 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.95 1x4o h ASN 56 Cb 0.88 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 1x4o h ASN 56 CO 0.03 0.00 0.75 -0.94 -1.29 0.00 0.00 177.43 175.98 1x4o s SER 57 N -4.67 6.98 0.63 5.81 1.04 -1.19 -4.88 113.70 117.42 1x4o s SER 57 Ca -0.05 1.91 0.33 0.00 0.48 0.00 0.00 55.95 58.62 1x4o s SER 57 Cb 0.24 -2.56 1.86 0.00 0.10 0.00 0.00 66.02 65.67 1x4o s SER 57 CO 0.84 -0.64 2.12 1.56 0.98 0.00 0.00 173.24 178.11 1x4o h GLN 58 N 7.62 0.00 -0.93 4.02 4.20 -1.87 -0.75 115.11 127.39 1x4o h GLN 58 Ca -0.35 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.44 1x4o h GLN 58 Cb 1.16 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.87 1x4o h GLN 58 CO 0.89 0.00 0.58 0.78 -0.67 0.00 0.00 178.83 180.42 1x4o h GLY 59 N 0.00 1.45 1.17 3.46 0.00 -1.86 -0.69 103.07 106.59 1x4o h GLY 59 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1x4o h GLY 59 CO -0.00 0.24 0.47 -1.82 0.00 0.00 0.00 176.54 175.43 1x4o h TYR 60 N 1.02 1.07 0.03 5.60 3.20 -0.69 -0.93 116.97 126.27 1x4o h TYR 60 Ca 0.43 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 1x4o h TYR 60 Cb 0.27 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1x4o h TYR 60 CO -0.02 0.72 -0.02 0.00 -1.64 0.00 0.00 178.16 177.20 1x4o h ARG 61 N 1.11 -0.04 -1.41 1.82 3.08 -1.28 -2.14 114.38 115.52 1x4o h ARG 61 Ca 0.29 0.00 0.44 0.00 0.07 0.00 0.00 59.98 60.78 1x4o h ARG 61 Cb -0.03 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.93 1x4o h ARG 61 CO -0.05 -0.03 0.95 -0.92 -1.07 0.00 0.00 179.97 178.85 1x4o h TYR 62 N -0.06 0.37 0.24 3.04 5.03 -1.25 0.43 116.97 124.77 1x4o h TYR 62 Ca -0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1x4o h TYR 62 Cb 0.03 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.22 1x4o h TYR 62 CO 0.13 -0.12 -0.12 -0.92 -1.32 0.00 0.00 178.16 175.81 1x4o h TYR 63 N 0.09 -0.30 -0.20 -3.82 3.20 -1.15 -2.72 116.97 112.07 1x4o h TYR 63 Ca 0.79 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.69 1x4o h TYR 63 Cb 2.68 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 41.01 1x4o h TYR 63 CO -0.00 -0.01 -0.02 0.00 -1.64 0.00 0.00 178.16 176.49 1x4o h ARG 64 N -0.59 0.04 -0.63 1.82 2.47 0.49 -2.15 114.38 115.82 1x4o h ARG 64 Ca -0.03 -0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.78 1x4o h ARG 64 Cb 0.43 -0.01 -0.11 0.00 -1.65 0.00 0.00 29.97 28.63 1x4o h ARG 64 CO 0.05 0.02 -0.41 0.37 0.56 0.00 0.00 179.97 180.57 1x4o h GLN 65 N 0.04 -0.18 -0.80 0.04 4.15 -1.14 0.60 115.11 117.81 1x4o h GLN 65 Ca 0.09 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.66 1x4o h GLN 65 Cb 0.13 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 1x4o h GLN 65 CO -0.17 -0.12 0.40 0.87 -1.93 0.00 0.00 178.83 177.88 1x4o h LYS 66 N -0.19 0.58 0.72 1.69 1.79 -1.13 0.48 116.57 120.52 1x4o h LYS 66 Ca 0.21 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1x4o h LYS 66 Cb 0.56 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1x4o h LYS 66 CO -0.72 0.39 -0.48 1.25 -1.08 0.00 0.00 179.45 178.81 1x4o h LEU 67 N 0.60 -1.25 -1.97 2.94 5.85 0.64 1.35 115.31 123.47 1x4o h LEU 67 Ca 0.43 0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.38 1x4o h LEU 67 Cb 0.57 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1x4o h LEU 67 CO -0.34 -0.72 0.40 -0.78 -0.34 0.00 0.00 178.44 176.66 1x4o h ASP 68 N -1.14 0.03 0.00 1.25 1.82 0.23 0.36 116.42 118.96 1x4o h ASP 68 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1x4o h ASP 68 Cb 0.93 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1x4o h ASP 68 CO 0.07 0.01 0.00 1.21 -1.61 0.00 0.00 179.24 178.93 1x4o n GLU 69 N -4.38 0.00 -0.12 0.28 4.07 0.16 -3.05 120.64 117.60 1x4o n GLU 69 Ca 0.10 0.43 -0.10 0.00 -0.06 0.00 0.00 57.16 57.54 1x4o n GLU 69 Cb 0.62 -1.08 -0.05 0.00 -0.06 0.00 0.00 31.44 30.88 1x4o n GLU 69 CO 0.00 0.00 0.00 0.74 -0.06 0.00 0.00 177.13 177.81 1x4o h PHE 70 N 0.00 -1.23 -0.96 4.31 0.04 0.19 -1.64 116.94 117.65 1x4o h PHE 70 Ca 0.00 0.07 0.10 0.00 2.80 0.00 0.00 57.97 60.94 1x4o h PHE 70 Cb 0.00 0.60 -0.13 0.00 2.20 0.00 0.00 35.95 38.62 1x4o h PHE 70 CO 0.06 -0.44 -0.52 0.54 -0.60 0.00 0.00 178.31 177.35 1x4o n ARG 71 N -5.41 -0.38 -3.14 1.51 1.74 0.12 -4.86 116.66 106.24 1x4o n ARG 71 Ca -0.01 1.46 -0.08 0.00 -0.77 0.00 0.00 57.85 58.45 1x4o n ARG 71 Cb 0.35 -2.15 0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1x4o n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4o n LYS 72 N -5.25 -1.31 -2.27 5.56 4.76 -0.62 -4.54 118.16 114.48 1x4o n LYS 72 Ca 0.04 1.35 0.00 0.00 -2.87 0.00 0.00 58.31 56.83 1x4o n LYS 72 Cb 0.28 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.19 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4o n SER 73 N 0.81 -9.46 -0.22 4.39 2.88 -1.26 -5.07 113.62 105.68 1x4o n SER 73 Ca -0.01 1.72 0.00 0.00 -1.33 0.00 0.00 58.87 59.25 1x4o n SER 73 Cb 0.44 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.69 1x4o n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 74 N 1.88 5.89 0.20 0.46 0.00 -1.26 -5.05 105.19 107.30 1x4o n GLY 74 Ca 0.00 -2.05 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1x4o n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4o h PRO 75 N 0.00 0.67 -5.21 1.61 0.13 -1.98 -3.43 132.00 123.79 1x4o h PRO 75 Ca 0.00 -0.66 -0.61 0.00 -0.87 0.00 0.00 66.00 63.87 1x4o h PRO 75 Cb 0.00 0.17 -0.13 0.00 0.13 0.00 0.00 31.00 31.17 1x4o h PRO 75 CO 0.00 1.25 -0.51 0.45 -0.23 0.00 0.00 178.00 178.97 1x4o s SER 76 N -7.19 6.09 -0.30 1.44 0.15 -1.26 -5.04 113.70 107.58 1x4o s SER 76 Ca -0.09 0.17 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 1x4o s SER 76 Cb 0.08 -2.07 0.17 0.00 -1.71 0.00 0.00 66.02 62.49 1x4o s SER 76 CO 0.90 0.14 0.96 -0.55 1.20 0.00 0.00 173.24 175.90 1x4o s SER 77 N 0.59 -0.64 0.00 5.45 0.15 -1.26 -5.07 113.70 112.91 1x4o s SER 77 Ca 0.07 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1x4o s SER 77 Cb -0.12 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1x4o s SER 77 CO 0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93