#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o n SER 2 N 0.00 -8.57 -3.93 1.61 7.64 -1.26 -5.07 113.62 104.04 1x4o n SER 2 Ca 0.00 1.20 -0.09 0.00 1.01 0.00 0.00 58.87 60.99 1x4o n SER 2 Cb 0.00 -4.45 -0.07 0.00 -1.01 0.00 0.00 64.21 58.68 1x4o n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4o s SER 3 N -2.28 0.12 0.00 6.43 1.04 -1.26 -5.15 113.70 112.60 1x4o s SER 3 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1x4o s SER 3 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x4o s SER 3 CO 0.00 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1x4o n GLY 4 N -0.12 0.04 1.48 7.32 0.00 -1.26 -5.11 105.19 107.55 1x4o n GLY 4 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x4o n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4o n SER 5 N 0.00 -7.99 -4.08 1.61 7.64 -1.26 -5.05 113.62 104.49 1x4o n SER 5 Ca 0.00 1.70 -0.10 0.00 1.01 0.00 0.00 58.87 61.48 1x4o n SER 5 Cb 0.00 -4.69 -0.09 0.00 -1.01 0.00 0.00 64.21 58.42 1x4o n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4o s SER 6 N -5.03 0.22 0.00 6.43 1.04 -1.26 -5.16 113.70 109.94 1x4o s SER 6 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1x4o s SER 6 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1x4o s SER 6 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1x4o n GLY 7 N -0.13 3.39 2.69 7.32 0.00 -1.26 -5.09 105.19 112.12 1x4o n GLY 7 Ca -0.06 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1x4o n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4o s LYS 8 N -1.01 1.81 0.20 1.61 1.02 -1.26 -5.10 119.74 117.01 1x4o s LYS 8 Ca 0.00 -2.82 -0.01 0.00 0.02 0.00 0.00 55.97 53.15 1x4o s LYS 8 Cb 0.00 -2.60 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1x4o s LYS 8 CO 0.00 -1.32 0.27 1.33 -0.92 0.00 0.00 175.35 174.71 1x4o n VAL 9 N 2.36 0.00 -4.28 3.17 0.24 -1.26 -5.12 118.33 113.44 1x4o n VAL 9 Ca 0.23 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.34 61.95 1x4o n VAL 9 Cb 0.40 -1.47 -0.08 0.00 -1.47 0.00 0.00 33.84 31.22 1x4o n VAL 9 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x4o s SER 10 N -2.06 4.28 0.69 -1.34 1.04 -1.26 -5.07 113.70 109.97 1x4o s SER 10 Ca 0.17 -1.02 -0.11 0.00 0.48 0.00 0.00 55.95 55.47 1x4o s SER 10 Cb -0.01 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1x4o s SER 10 CO 0.11 -0.35 1.06 -2.16 0.98 0.00 0.00 173.24 172.89 1x4o s PRO 11 N -3.78 2.98 1.09 4.02 0.04 -1.26 -4.70 135.00 133.39 1x4o s PRO 11 Ca 0.37 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.20 1x4o s PRO 11 Cb 0.02 -1.99 0.25 0.00 0.04 0.00 0.00 34.50 32.81 1x4o s PRO 11 CO 0.20 -1.07 1.23 -1.25 0.04 0.00 0.00 177.00 176.15 1x4o s PRO 12 N -4.96 -0.40 -0.21 0.56 0.04 -1.26 -4.97 135.00 123.81 1x4o s PRO 12 Ca 0.58 -0.29 -0.09 0.00 0.04 0.00 0.00 61.00 61.24 1x4o s PRO 12 Cb -0.14 -1.71 -0.19 0.00 0.04 0.00 0.00 34.50 32.50 1x4o s PRO 12 CO 0.53 -3.12 0.00 0.39 0.04 0.00 0.00 177.00 174.84 1x4o n GLU 13 N -4.30 0.65 -1.92 4.56 1.02 -1.26 -4.84 120.64 114.56 1x4o n GLU 13 Ca 0.15 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 1x4o n GLU 13 Cb 0.59 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4o s ASP 14 N -6.96 5.73 0.15 1.62 1.11 -1.26 -4.85 116.67 112.19 1x4o s ASP 14 Ca -0.31 1.34 -0.17 0.00 0.18 0.00 0.00 52.55 53.59 1x4o s ASP 14 Cb 0.09 -2.52 0.03 0.00 1.07 0.00 0.00 42.92 41.59 1x4o s ASP 14 CO 0.62 -1.83 1.75 -0.08 1.18 0.00 0.00 175.17 176.80 1x4o h GLU 15 N 13.61 0.22 -1.04 8.23 4.81 -2.00 -0.15 114.58 138.26 1x4o h GLU 15 Ca -0.34 -0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.18 1x4o h GLU 15 Cb 1.18 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.47 1x4o h GLU 15 CO 1.03 0.15 0.83 0.93 -0.73 0.00 0.00 179.01 181.22 1x4o h GLU 16 N 0.23 0.00 0.18 1.92 5.08 -2.00 0.31 114.58 120.30 1x4o h GLU 16 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1x4o h GLU 16 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1x4o h GLU 16 CO -0.15 0.00 -0.09 0.00 -1.00 0.00 0.00 179.01 177.77 1x4o h ALA 17 N 1.33 -0.24 -1.88 3.43 0.00 -1.42 0.50 119.26 120.98 1x4o h ALA 17 Ca 0.50 -0.11 0.56 0.00 0.00 0.00 0.00 54.91 55.86 1x4o h ALA 17 Cb 2.14 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.93 1x4o h ALA 17 CO -0.01 -0.24 1.33 1.17 0.00 0.00 0.00 179.25 181.50 1x4o n LYS 18 N -4.93 -0.01 -0.09 0.00 4.81 0.03 0.18 118.16 118.15 1x4o n LYS 18 Ca -0.04 1.12 -0.16 0.00 -0.87 0.00 0.00 58.31 58.36 1x4o n LYS 18 Cb 0.15 -2.51 -0.10 0.00 0.02 0.00 0.00 35.03 32.59 1x4o n LYS 18 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1x4o h ASN 19 N 0.00 0.00 -0.10 3.14 -0.73 -1.36 -3.16 115.58 113.38 1x4o h ASN 19 Ca 0.94 -0.59 0.04 0.00 1.87 0.00 0.00 56.30 58.56 1x4o h ASN 19 Cb 3.63 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 42.17 1x4o h ASN 19 CO -0.10 1.18 -0.19 -0.07 -0.37 0.00 0.00 177.43 177.87 1x4o h LEU 20 N -1.00 -0.59 -0.15 0.34 3.38 0.31 0.13 115.31 117.72 1x4o h LEU 20 Ca -0.17 0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1x4o h LEU 20 Cb 1.02 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1x4o h LEU 20 CO -0.10 -0.25 -0.50 0.00 0.09 0.00 0.00 178.44 177.68 1x4o h ALA 21 N 0.73 -0.77 -0.01 1.53 0.00 0.17 0.39 119.26 121.30 1x4o h ALA 21 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x4o h ALA 21 Cb 0.39 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1x4o h ALA 21 CO -0.25 -1.03 -0.22 1.49 0.00 0.00 0.00 179.25 179.24 1x4o h GLU 22 N -0.54 -0.26 -0.74 0.00 4.81 -1.39 -0.34 114.58 116.12 1x4o h GLU 22 Ca 0.05 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1x4o h GLU 22 Cb 0.66 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.01 1x4o h GLU 22 CO -0.44 -0.18 -0.51 0.87 -0.73 0.00 0.00 179.01 178.03 1x4o h LYS 23 N -0.27 -0.09 0.00 1.92 1.57 -0.42 1.47 116.57 120.75 1x4o h LYS 23 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1x4o h LYS 23 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1x4o h LYS 23 CO -0.15 -0.06 0.00 -0.11 -0.57 0.00 0.00 179.45 178.56 1x4o n LEU 24 N -4.97 0.00 -0.19 2.94 -0.00 0.13 0.16 117.00 115.07 1x4o n LEU 24 Ca 0.01 0.93 -0.02 0.00 -0.00 0.00 0.00 56.01 56.93 1x4o n LEU 24 Cb 0.24 -0.43 0.05 0.00 -0.00 0.00 0.00 43.42 43.28 1x4o n LEU 24 CO -0.10 -0.43 0.74 0.00 -0.00 0.00 0.00 177.39 177.59 1x4o h ALA 25 N -1.15 0.37 -0.99 1.96 0.00 -0.08 1.24 119.26 120.61 1x4o h ALA 25 Ca 0.00 0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.36 1x4o h ALA 25 Cb 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1x4o h ALA 25 CO 0.00 -0.44 0.63 0.00 0.00 0.00 0.00 179.25 179.44 1x4o h ARG 26 N -0.01 0.53 0.00 0.00 2.47 0.47 1.43 114.38 119.27 1x4o h ARG 26 Ca 0.28 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1x4o h ARG 26 Cb 0.44 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1x4o h ARG 26 CO -0.61 0.35 -0.10 0.35 0.56 0.00 0.00 179.97 180.52 1x4o h PHE 27 N 0.55 0.00 -0.28 3.04 3.57 0.73 -2.99 116.94 121.56 1x4o h PHE 27 Ca 0.56 0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.14 1x4o h PHE 27 Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1x4o h PHE 27 CO -0.00 0.29 0.33 0.82 -2.23 0.00 0.00 178.31 177.51 1x4o h ILE 28 N -1.00 0.37 -0.01 1.41 2.04 0.16 0.76 117.51 121.24 1x4o h ILE 28 Ca -0.01 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 1x4o h ILE 28 Cb 0.33 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1x4o h ILE 28 CO -0.01 0.00 -0.84 0.00 0.00 0.00 0.00 178.15 177.30 1x4o h ALA 29 N 1.60 0.55 0.00 1.87 0.00 0.19 -2.66 119.26 120.80 1x4o h ALA 29 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1x4o h ALA 29 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x4o h ALA 29 CO -0.00 0.87 0.00 -3.47 0.00 0.00 0.00 179.25 176.65 1x4o n ASP 30 N -3.71 0.00 0.00 0.00 -0.08 0.26 -4.62 116.55 108.40 1x4o n ASP 30 Ca -0.04 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1x4o n ASP 30 Cb 0.78 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4o n GLY 31 N 0.37 1.07 0.00 0.27 0.00 -0.95 -5.10 105.19 100.85 1x4o n GLY 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.93 0.00 -0.02 0.00 -1.19 -4.94 105.19 103.11 1x4o n GLY 32 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 0.60 -0.10 1.61 -0.04 -1.26 -2.24 135.00 133.58 1x4o n PRO 33 Ca 0.00 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 1x4o n PRO 33 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.10 0.63 -0.16 0.54 2.13 -1.26 -3.98 120.64 117.45 1x4o n GLU 34 Ca 0.15 0.33 -0.10 0.00 0.66 0.00 0.00 57.16 58.20 1x4o n GLU 34 Cb 0.12 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.56 1.27 0.00 6.31 3.04 -1.88 -1.27 116.25 123.16 1x4o h VAL 35 Ca -0.52 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.06 1x4o h VAL 35 Cb 1.68 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1x4o h VAL 35 CO -0.19 0.38 0.00 -1.84 -1.01 0.00 0.00 177.57 174.91 1x4o n GLU 36 N -4.34 0.11 -0.08 4.17 0.28 -0.95 0.16 120.64 120.00 1x4o n GLU 36 Ca 0.00 0.58 -0.08 0.00 -0.16 0.00 0.00 57.16 57.50 1x4o n GLU 36 Cb 0.33 -1.85 -0.03 0.00 1.43 0.00 0.00 31.44 31.31 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 -2.09 1.45 -0.12 3.84 -1.04 -0.66 -3.37 114.28 112.28 1x4o n THR 37 Ca -0.01 0.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.05 1x4o n THR 37 Cb 0.05 -2.33 -0.02 0.00 -1.82 0.00 0.00 70.33 66.21 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 -1.00 1.26 -0.87 12.58 5.03 -1.00 0.53 117.51 134.04 1x4o h ILE 38 Ca -0.07 -1.02 0.06 0.00 -0.12 0.00 0.00 64.86 63.71 1x4o h ILE 38 Cb 0.74 1.22 -0.06 0.00 -3.03 0.00 0.00 36.82 35.69 1x4o h ILE 38 CO -0.04 0.34 0.54 0.00 -0.68 0.00 0.00 178.15 178.31 1x4o h ALA 39 N 0.85 1.19 0.00 1.87 0.00 0.14 1.13 119.26 124.44 1x4o h ALA 39 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1x4o h ALA 39 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1x4o h ALA 39 CO 0.02 0.30 -0.49 -0.07 0.00 0.00 0.00 179.25 179.01 1x4o h LEU 40 N 0.99 0.00 0.00 0.00 3.38 -1.50 0.41 115.31 118.60 1x4o h LEU 40 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1x4o h LEU 40 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x4o h LEU 40 CO -0.17 0.49 -0.13 1.56 0.09 0.00 0.00 178.44 180.28 1x4o h GLN 41 N 0.00 0.00 0.00 1.13 4.20 0.24 -3.06 115.11 117.62 1x4o h GLN 41 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1x4o h GLN 41 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1x4o h GLN 41 CO 0.06 0.00 -1.12 0.09 -0.67 0.00 0.00 178.83 177.19 1x4o n ASN 42 N -2.92 1.86 0.09 1.46 3.02 0.37 -4.08 115.26 115.06 1x4o n ASN 42 Ca 0.04 0.48 0.20 0.00 -0.03 0.00 0.00 54.58 55.27 1x4o n ASN 42 Cb 0.52 -0.89 0.68 0.00 -0.61 0.00 0.00 39.78 39.48 1x4o n ASN 42 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1x4o h ASN 43 N -1.00 0.00 -0.80 6.41 2.35 -1.05 0.15 115.58 121.65 1x4o h ASN 43 Ca -0.23 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.71 1x4o h ASN 43 Cb 1.02 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.25 1x4o h ASN 43 CO -0.14 0.00 0.05 0.03 -1.65 0.00 0.00 177.43 175.72 1x4o h ARG 44 N 0.00 0.12 -0.04 0.81 2.47 -1.68 0.86 114.38 116.91 1x4o h ARG 44 Ca 0.21 -0.01 -0.21 0.00 -1.26 0.00 0.00 59.98 58.71 1x4o h ARG 44 Cb 1.34 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.65 1x4o h ARG 44 CO -0.00 0.08 -0.79 0.93 0.56 0.00 0.00 179.97 180.75 1x4o h GLU 45 N 0.12 0.61 -6.64 0.04 5.08 -1.20 -3.44 114.58 109.16 1x4o h GLU 45 Ca 0.45 -0.60 -0.53 0.00 -1.00 0.00 0.00 59.36 57.68 1x4o h GLU 45 Cb 0.83 0.16 0.04 0.00 0.50 0.00 0.00 28.75 30.28 1x4o h GLU 45 CO -0.68 1.21 0.82 -0.80 -1.00 0.00 0.00 179.01 178.57 1x4o s ASN 46 N -7.01 6.64 -0.07 1.42 -0.87 0.29 -4.91 114.94 110.43 1x4o s ASN 46 Ca -0.11 2.59 -0.01 0.00 -1.57 0.00 0.00 52.86 53.77 1x4o s ASN 46 Cb 0.06 -2.60 -0.26 0.00 -0.02 0.00 0.00 41.25 38.43 1x4o s ASN 46 CO 0.88 -0.76 0.57 -0.61 -2.57 0.00 0.00 177.10 174.60 1x4o h GLN 47 N 6.25 0.19 -0.63 -0.60 4.15 -1.86 -3.37 115.11 119.25 1x4o h GLN 47 Ca -0.44 -0.33 0.11 0.00 0.77 0.00 0.00 58.65 58.77 1x4o h GLN 47 Cb 1.21 0.12 -0.12 0.00 0.21 0.00 0.00 27.48 28.90 1x4o h GLN 47 CO 0.87 0.99 -0.33 0.00 -1.93 0.00 0.00 178.83 178.42 1x4o h ALA 48 N 0.43 -0.00 0.00 3.38 0.00 -1.91 -2.44 119.26 118.72 1x4o h ALA 48 Ca -0.34 0.18 -0.43 0.00 0.00 0.00 0.00 54.91 54.31 1x4o h ALA 48 Cb 2.03 0.79 0.03 0.00 0.00 0.00 0.00 17.79 20.64 1x4o h ALA 48 CO 0.11 -0.66 2.32 1.19 0.00 0.00 0.00 179.25 182.20 1x4o n PHE 49 N -5.44 1.34 0.26 0.00 3.72 -1.26 -4.20 117.46 111.88 1x4o n PHE 49 Ca 0.05 -1.72 0.11 0.00 -0.05 0.00 0.00 57.45 55.84 1x4o n PHE 49 Cb 0.36 -1.54 -0.07 0.00 -0.94 0.00 0.00 39.48 37.29 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 5.44 0.46 0.00 4.37 3.41 -0.92 -3.94 113.62 122.44 1x4o n SER 50 Ca 0.42 -0.05 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1x4o n SER 50 Cb 0.21 1.19 0.66 0.00 -0.26 0.00 0.00 64.21 66.02 1x4o n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1x4o n PHE 51 N -2.22 0.00 0.30 7.33 1.16 -1.26 -1.03 117.46 121.73 1x4o n PHE 51 Ca -0.01 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.69 1x4o n PHE 51 Cb 0.51 -0.15 0.06 0.00 -1.61 0.00 0.00 39.48 38.29 1x4o n PHE 51 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1x4o h LEU 52 N 0.00 0.00 0.00 5.98 3.38 -1.92 -2.51 115.31 120.23 1x4o h LEU 52 Ca 0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1x4o h LEU 52 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1x4o h LEU 52 CO 0.00 0.05 -0.81 -1.22 0.09 0.00 0.00 178.44 176.55 1x4o n TYR 53 N -2.44 0.00 -1.58 1.13 4.01 -0.92 -4.96 117.16 112.40 1x4o n TYR 53 Ca 0.01 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.30 1x4o n TYR 53 Cb 0.50 -0.29 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 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 -3.82 3.15 0.03 7.72 8.00 -0.20 -4.85 116.55 126.58 1x4o n ASP 54 Ca -0.12 0.38 -0.09 0.00 0.71 0.00 0.00 54.79 55.67 1x4o n ASP 54 Cb 0.36 -1.48 -0.07 0.00 -0.02 0.00 0.00 41.12 39.91 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 13.61 -0.16 -1.60 -0.24 0.13 -1.89 -3.19 132.00 138.67 1x4o h PRO 55 Ca -0.40 0.01 0.46 0.00 -0.87 0.00 0.00 66.00 65.21 1x4o h PRO 55 Cb 1.26 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1x4o h PRO 55 CO 0.97 0.28 1.23 -0.91 -0.23 0.00 0.00 178.00 179.33 1x4o h ASN 56 N -0.92 0.00 -3.06 1.44 2.35 -1.99 -3.35 115.58 110.05 1x4o h ASN 56 Ca -0.02 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.16 1x4o h ASN 56 Cb 0.51 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 1x4o h ASN 56 CO 0.03 0.00 1.14 -0.55 -1.65 0.00 0.00 177.43 176.40 1x4o s SER 57 N -4.17 6.17 0.56 5.81 0.15 -1.20 -4.84 113.70 116.18 1x4o s SER 57 Ca -0.05 0.96 0.40 0.00 0.70 0.00 0.00 55.95 57.97 1x4o s SER 57 Cb 0.24 -2.54 1.57 0.00 -1.71 0.00 0.00 66.02 63.58 1x4o s SER 57 CO 0.80 -1.54 1.70 1.56 1.20 0.00 0.00 173.24 176.95 1x4o h GLN 58 N 11.47 0.00 -0.73 5.44 7.50 -1.87 0.26 115.11 137.18 1x4o h GLN 58 Ca -0.30 0.00 0.17 0.00 0.50 0.00 0.00 58.65 59.02 1x4o h GLN 58 Cb 1.13 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 28.53 1x4o h GLN 58 CO 1.07 0.00 0.06 0.78 -1.50 0.00 0.00 178.83 179.24 1x4o h GLY 59 N 0.00 0.88 0.47 3.46 0.00 -1.87 0.23 103.07 106.24 1x4o h GLY 59 Ca 0.66 0.06 0.10 0.00 0.00 0.00 0.00 47.33 48.16 1x4o h GLY 59 CO -0.01 -0.26 0.40 -1.82 0.00 0.00 0.00 176.54 174.85 1x4o h TYR 60 N 0.15 0.71 0.32 5.60 3.20 0.00 0.10 116.97 127.05 1x4o h TYR 60 Ca 0.41 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 1x4o h TYR 60 Cb 0.71 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1x4o h TYR 60 CO -0.37 0.26 -0.15 0.00 -1.64 0.00 0.00 178.16 176.26 1x4o h ARG 61 N 0.66 -0.42 -1.29 1.82 3.08 -0.71 -1.11 114.38 116.41 1x4o h ARG 61 Ca 0.37 0.03 0.38 0.00 0.07 0.00 0.00 59.98 60.83 1x4o h ARG 61 Cb 0.39 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 1x4o h ARG 61 CO -0.27 -0.28 0.90 -0.92 -1.07 0.00 0.00 179.97 178.33 1x4o h TYR 62 N -0.49 0.23 -0.20 3.04 5.03 -1.04 0.55 116.97 124.08 1x4o h TYR 62 Ca -0.04 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.21 1x4o h TYR 62 Cb 0.33 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 1x4o h TYR 62 CO 0.12 -0.02 -0.14 -0.92 -1.32 0.00 0.00 178.16 175.88 1x4o h TYR 63 N 0.10 0.53 -0.22 -3.82 3.20 -0.59 -2.93 116.97 113.24 1x4o h TYR 63 Ca 0.67 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.40 1x4o h TYR 63 Cb 2.37 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 40.51 1x4o h TYR 63 CO -0.00 0.78 0.12 0.00 -1.64 0.00 0.00 178.16 177.41 1x4o h ARG 64 N 0.14 0.24 -0.32 1.82 2.47 0.14 -2.03 114.38 116.84 1x4o h ARG 64 Ca 0.04 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 1x4o h ARG 64 Cb 0.66 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.85 1x4o h ARG 64 CO 0.04 0.16 -0.41 0.37 0.56 0.00 0.00 179.97 180.69 1x4o h GLN 65 N 0.25 -0.35 -0.92 0.04 4.15 -1.27 0.23 115.11 117.24 1x4o h GLN 65 Ca 0.09 0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.70 1x4o h GLN 65 Cb 0.01 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.68 1x4o h GLN 65 CO -0.05 -0.24 0.51 0.87 -1.93 0.00 0.00 178.83 177.99 1x4o h LYS 66 N -0.37 0.67 -0.05 1.69 1.79 -1.31 1.51 116.57 120.50 1x4o h LYS 66 Ca 0.12 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1x4o h LYS 66 Cb 0.59 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1x4o h LYS 66 CO -0.51 0.44 -0.27 1.25 -1.08 0.00 0.00 179.45 179.28 1x4o h LEU 67 N 0.69 -0.82 -0.33 2.94 5.85 0.13 0.47 115.31 124.23 1x4o h LEU 67 Ca 0.51 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 59.24 1x4o h LEU 67 Cb 0.75 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1x4o h LEU 67 CO -0.37 -0.33 -0.22 -0.78 -0.34 0.00 0.00 178.44 176.40 1x4o h ASP 68 N -0.39 0.77 -0.32 1.25 1.82 0.33 0.95 116.42 120.82 1x4o h ASP 68 Ca 0.08 -0.43 0.07 0.00 -0.39 0.00 0.00 57.03 56.36 1x4o h ASP 68 Cb 0.50 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.21 1x4o h ASP 68 CO -0.27 1.03 -0.29 -0.08 -1.61 0.00 0.00 179.24 178.03 1x4o h GLU 69 N 0.50 -0.25 0.06 0.28 4.57 0.27 -2.63 114.58 117.38 1x4o h GLU 69 Ca 0.07 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1x4o h GLU 69 Cb 0.77 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1x4o h GLU 69 CO 0.06 -0.17 -0.03 0.74 -1.18 0.00 0.00 179.01 178.44 1x4o h PHE 70 N -0.26 -0.07 0.00 0.92 0.04 -0.04 -3.31 116.94 114.22 1x4o h PHE 70 Ca 0.16 -0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.55 1x4o h PHE 70 Cb 0.51 0.02 0.02 0.00 2.20 0.00 0.00 35.95 38.70 1x4o h PHE 70 CO -0.47 0.37 2.31 0.54 -0.60 0.00 0.00 178.31 180.47 1x4o n ARG 71 N -4.91 1.66 0.19 1.51 1.74 0.32 -4.60 116.66 112.57 1x4o n ARG 71 Ca -0.08 -1.37 -0.10 0.00 -0.77 0.00 0.00 57.85 55.52 1x4o n ARG 71 Cb 0.24 -2.46 -0.05 0.00 -1.02 0.00 0.00 32.46 29.17 1x4o n ARG 71 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1x4o h LYS 72 N 6.87 -0.57 -4.94 5.56 1.57 -1.65 -3.45 116.57 119.96 1x4o h LYS 72 Ca 0.41 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1x4o h LYS 72 Cb 0.22 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1x4o h LYS 72 CO 1.47 -0.38 -1.03 0.43 -0.57 0.00 0.00 179.45 179.37 1x4o n SER 73 N -4.00 -6.12 0.00 0.86 7.64 -1.26 -5.06 113.62 105.68 1x4o n SER 73 Ca -0.07 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1x4o n SER 73 Cb 0.26 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.46 1x4o n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4o n GLY 74 N 0.84 0.38 3.79 0.23 0.00 -1.26 -5.08 105.19 104.08 1x4o n GLY 74 Ca -0.08 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 1x4o n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4o s PRO 75 N 0.00 4.02 -0.39 1.61 0.04 -1.26 -4.34 135.00 134.68 1x4o s PRO 75 Ca 0.00 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 1x4o s PRO 75 Cb 0.00 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1x4o s PRO 75 CO 0.00 -0.26 0.45 0.43 0.04 0.00 0.00 177.00 177.66 1x4o n SER 76 N -0.43 -6.16 -4.65 6.66 7.64 -1.26 -4.91 113.62 110.50 1x4o n SER 76 Ca 0.07 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.73 1x4o n SER 76 Cb 0.51 -4.08 -0.02 0.00 -1.01 0.00 0.00 64.21 59.60 1x4o n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4o s SER 77 N -2.36 6.77 0.00 6.43 0.15 -1.26 -5.27 113.70 118.15 1x4o s SER 77 Ca 0.11 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.42 1x4o s SER 77 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x4o s SER 77 CO 0.54 -0.92 0.35 0.61 1.20 0.00 0.00 173.24 175.02