#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 6.30 0.05 1.61 0.01 -1.26 -5.11 113.70 115.30 1x4o s SER 2 Ca 0.00 0.67 0.05 0.00 1.31 0.00 0.00 55.95 57.98 1x4o s SER 2 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1x4o s SER 2 CO 0.00 -0.41 -0.14 -0.94 0.41 0.00 0.00 173.24 172.16 1x4o s SER 3 N -3.99 1.71 0.00 2.44 1.04 -1.26 -5.07 113.70 108.57 1x4o s SER 3 Ca 0.43 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1x4o s SER 3 Cb -0.10 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1x4o s SER 3 CO 0.39 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1x4o n GLY 4 N 1.74 2.45 3.39 7.32 0.00 -1.26 -5.08 105.19 113.75 1x4o n GLY 4 Ca -0.19 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4o s SER 5 N 0.00 4.84 -0.29 1.61 0.15 -1.26 -5.05 113.70 113.69 1x4o s SER 5 Ca 0.00 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.07 1x4o s SER 5 Cb 0.00 -1.86 0.19 0.00 -1.71 0.00 0.00 66.02 62.65 1x4o s SER 5 CO 0.00 -0.03 1.37 -0.94 1.20 0.00 0.00 173.24 174.84 1x4o s SER 6 N 1.56 -0.03 0.00 5.45 1.04 -1.26 -5.13 113.70 115.34 1x4o s SER 6 Ca 0.06 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1x4o s SER 6 Cb -0.15 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1x4o s SER 6 CO 0.01 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1x4o n GLY 7 N 0.51 3.55 3.19 7.32 0.00 -1.26 -5.16 105.19 113.33 1x4o n GLY 7 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 1x4o n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4o s LYS 8 N -4.93 0.86 0.11 1.61 -2.85 -1.26 -5.16 119.74 108.13 1x4o s LYS 8 Ca 0.00 -1.00 0.04 0.00 -1.00 0.00 0.00 55.97 54.01 1x4o s LYS 8 Cb 0.00 -0.87 -0.04 0.00 -2.06 0.00 0.00 37.83 34.86 1x4o s LYS 8 CO 0.00 0.19 -0.10 0.14 0.10 0.00 0.00 175.35 175.68 1x4o s VAL 9 N -1.38 1.03 0.41 1.79 -7.23 -1.26 -5.16 120.40 108.59 1x4o s VAL 9 Ca -0.00 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 1x4o s VAL 9 Cb -0.09 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1x4o s VAL 9 CO 0.02 -0.62 0.59 -0.94 -0.31 0.00 0.00 175.10 173.85 1x4o s SER 10 N -2.69 5.88 0.59 4.85 1.04 -1.26 -5.00 113.70 117.10 1x4o s SER 10 Ca 0.09 0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.47 1x4o s SER 10 Cb -0.01 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 1x4o s SER 10 CO 0.00 -0.60 1.05 -2.16 0.98 0.00 0.00 173.24 172.51 1x4o s PRO 11 N -4.41 3.39 0.94 4.02 0.04 -1.26 -4.64 135.00 133.07 1x4o s PRO 11 Ca 0.47 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.55 1x4o s PRO 11 Cb -0.10 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.55 1x4o s PRO 11 CO 0.35 -0.75 1.15 -1.25 0.04 0.00 0.00 177.00 176.54 1x4o s PRO 12 N -4.10 0.94 -0.14 0.56 0.04 -1.26 -4.98 135.00 126.06 1x4o s PRO 12 Ca 0.63 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.78 1x4o s PRO 12 Cb -0.15 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1x4o s PRO 12 CO 0.37 -2.32 0.00 1.49 0.04 0.00 0.00 177.00 176.58 1x4o h GLU 13 N -1.59 0.00 -5.88 4.56 4.81 -1.99 -3.45 114.58 111.04 1x4o h GLU 13 Ca -0.50 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.12 1x4o h GLU 13 Cb 1.32 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1x4o h GLU 13 CO 0.58 0.23 1.49 -0.25 -0.73 0.00 0.00 179.01 180.33 1x4o n ASP 14 N -4.63 2.32 -0.04 1.04 9.92 -1.26 -4.81 116.55 119.08 1x4o n ASP 14 Ca -0.09 0.23 -0.09 0.00 -0.53 0.00 0.00 54.79 54.31 1x4o n ASP 14 Cb 0.27 -1.35 -0.02 0.00 -0.64 0.00 0.00 41.12 39.37 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1x4o h GLU 15 N 13.93 0.10 -1.23 -1.24 4.81 -2.00 -0.48 114.58 128.47 1x4o h GLU 15 Ca -0.29 -0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.29 1x4o h GLU 15 Cb 1.29 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1x4o h GLU 15 CO 1.04 0.07 0.97 0.93 -0.73 0.00 0.00 179.01 181.29 1x4o h GLU 16 N 0.10 0.00 0.16 1.92 4.39 -2.00 0.18 114.58 119.34 1x4o h GLU 16 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1x4o h GLU 16 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1x4o h GLU 16 CO -0.13 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.64 1x4o h ALA 17 N 1.22 -0.22 -1.92 3.43 0.00 -1.46 0.25 119.26 120.56 1x4o h ALA 17 Ca 0.58 -0.14 0.56 0.00 0.00 0.00 0.00 54.91 55.92 1x4o h ALA 17 Cb 2.51 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 20.30 1x4o h ALA 17 CO -0.01 -0.23 1.37 -0.22 0.00 0.00 0.00 179.25 180.17 1x4o h LYS 18 N -1.01 0.00 0.00 0.00 3.64 -0.27 1.66 116.57 120.58 1x4o h LYS 18 Ca -0.02 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 1x4o h LYS 18 Cb 0.35 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1x4o h LYS 18 CO 0.04 0.00 -0.74 -0.97 -2.27 0.00 0.00 179.45 175.51 1x4o h ASN 19 N 0.00 0.00 -0.22 4.20 -0.73 -1.36 -3.10 115.58 114.38 1x4o h ASN 19 Ca 0.93 -0.55 0.05 0.00 1.87 0.00 0.00 56.30 58.60 1x4o h ASN 19 Cb 3.68 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 42.22 1x4o h ASN 19 CO -0.05 1.21 -0.12 -0.07 -0.37 0.00 0.00 177.43 178.02 1x4o h LEU 20 N -1.00 -0.40 0.04 0.34 3.38 0.29 0.95 115.31 118.91 1x4o h LEU 20 Ca -0.19 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1x4o h LEU 20 Cb 1.04 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1x4o h LEU 20 CO -0.11 -0.16 -0.09 0.00 0.09 0.00 0.00 178.44 178.17 1x4o h ALA 21 N 1.07 -0.70 -0.39 1.53 0.00 0.18 0.18 119.26 121.12 1x4o h ALA 21 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1x4o h ALA 21 Cb 0.28 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1x4o h ALA 21 CO -0.28 -0.71 -0.26 1.49 0.00 0.00 0.00 179.25 179.49 1x4o h GLU 22 N -0.14 -0.03 -0.92 0.00 4.22 -1.43 0.28 114.58 116.56 1x4o h GLU 22 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.52 1x4o h GLU 22 Cb 0.13 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 1x4o h GLU 22 CO -0.03 -0.02 -0.58 0.87 -2.18 0.00 0.00 179.01 177.07 1x4o h LYS 23 N -0.03 -0.05 0.00 1.92 1.57 -0.71 1.29 116.57 120.57 1x4o h LYS 23 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x4o h LYS 23 Cb 0.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x4o h LYS 23 CO -0.39 -0.03 0.00 -0.11 -0.57 0.00 0.00 179.45 178.35 1x4o n LEU 24 N -5.25 0.00 -0.25 2.94 -0.00 0.60 0.15 117.00 115.19 1x4o n LEU 24 Ca 0.01 0.93 0.04 0.00 -0.00 0.00 0.00 56.01 57.00 1x4o n LEU 24 Cb 0.27 -0.43 0.14 0.00 -0.00 0.00 0.00 43.42 43.40 1x4o n LEU 24 CO -0.14 -0.43 0.81 0.00 -0.00 0.00 0.00 177.39 177.63 1x4o h ALA 25 N -1.24 0.73 -0.57 1.96 0.00 0.07 0.81 119.26 121.02 1x4o h ALA 25 Ca 0.00 0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1x4o h ALA 25 Cb 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1x4o h ALA 25 CO 0.00 -0.42 0.07 -0.09 0.00 0.00 0.00 179.25 178.81 1x4o h ARG 26 N 0.09 0.19 0.44 0.00 1.12 0.42 1.53 114.38 118.17 1x4o h ARG 26 Ca 0.39 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 59.23 1x4o h ARG 26 Cb 0.68 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1x4o h ARG 26 CO -0.66 0.13 -0.21 0.35 -3.11 0.00 0.00 179.97 176.47 1x4o h PHE 27 N 0.20 -0.55 -0.75 2.20 3.57 0.55 -2.59 116.94 119.56 1x4o h PHE 27 Ca 0.29 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.99 1x4o h PHE 27 Cb 0.44 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1x4o h PHE 27 CO -0.28 -0.27 0.53 0.82 -2.23 0.00 0.00 178.31 176.88 1x4o h ILE 28 N -1.09 0.65 0.00 1.41 2.04 0.65 1.46 117.51 122.63 1x4o h ILE 28 Ca -0.06 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 1x4o h ILE 28 Cb 0.52 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1x4o h ILE 28 CO 0.10 0.01 -0.22 0.00 0.00 0.00 0.00 178.15 178.05 1x4o h ALA 29 N 1.63 1.07 0.00 1.87 0.00 0.22 -1.45 119.26 122.61 1x4o h ALA 29 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x4o h ALA 29 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1x4o h ALA 29 CO -0.03 0.27 0.00 -3.47 0.00 0.00 0.00 179.25 176.02 1x4o n ASP 30 N -3.45 0.57 0.00 0.00 -0.08 0.50 -4.69 116.55 109.39 1x4o n ASP 30 Ca -0.00 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1x4o n ASP 30 Cb 0.40 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 43.15 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 1.24 1.03 0.00 0.27 0.00 -0.55 -5.10 105.19 102.07 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 0.87 0.00 -0.02 0.00 -1.18 -4.94 105.19 104.92 1x4o n GLY 32 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.57 -0.09 1.61 -0.04 -1.26 -2.10 135.00 133.70 1x4o n PRO 33 Ca 0.00 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.27 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 0.39 -0.04 0.00 0.00 175.50 175.85 1x4o n GLU 34 N -1.12 0.66 -0.11 0.54 1.02 -1.26 -4.00 120.64 116.37 1x4o n GLU 34 Ca 0.15 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.45 1x4o n GLU 34 Cb 0.12 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1x4o h VAL 35 N -0.36 1.29 0.00 2.62 3.04 -1.87 -2.13 116.25 118.84 1x4o h VAL 35 Ca -0.52 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.78 1x4o h VAL 35 Cb 1.78 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.51 1x4o h VAL 35 CO -0.13 0.45 0.00 -1.84 -1.01 0.00 0.00 177.57 175.04 1x4o n GLU 36 N -4.27 0.10 -0.06 4.17 0.28 -0.89 0.16 120.64 120.13 1x4o n GLU 36 Ca -0.03 0.59 -0.04 0.00 -0.16 0.00 0.00 57.16 57.52 1x4o n GLU 36 Cb 0.45 -1.83 -0.01 0.00 1.43 0.00 0.00 31.44 31.47 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 -2.05 1.19 -0.12 3.84 -1.04 -0.86 -3.30 114.28 111.94 1x4o n THR 37 Ca -0.01 0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 62.16 1x4o n THR 37 Cb 0.03 -2.25 -0.02 0.00 -1.82 0.00 0.00 70.33 66.27 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 -0.84 1.25 -0.85 12.58 5.03 -1.15 0.69 117.51 134.21 1x4o h ILE 38 Ca 0.00 -0.90 0.08 0.00 -0.12 0.00 0.00 64.86 63.92 1x4o h ILE 38 Cb 0.45 1.14 -0.07 0.00 -3.03 0.00 0.00 36.82 35.31 1x4o h ILE 38 CO 0.00 0.30 0.51 0.00 -0.68 0.00 0.00 178.15 178.28 1x4o h ALA 39 N 0.88 1.20 0.25 1.87 0.00 0.13 0.24 119.26 123.84 1x4o h ALA 39 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1x4o h ALA 39 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x4o h ALA 39 CO 0.01 0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 179.25 1x4o h LEU 40 N 0.88 -0.29 -1.96 0.00 3.38 -1.47 0.45 115.31 116.31 1x4o h LEU 40 Ca 0.40 -0.20 0.38 0.00 0.09 0.00 0.00 57.88 58.55 1x4o h LEU 40 Cb 0.29 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1x4o h LEU 40 CO -0.22 0.21 0.94 -0.61 0.09 0.00 0.00 178.44 178.86 1x4o h GLN 41 N -0.97 0.02 0.00 1.13 4.15 0.68 0.40 115.11 120.52 1x4o h GLN 41 Ca -0.03 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1x4o h GLN 41 Cb 0.47 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1x4o h GLN 41 CO 0.06 0.01 -0.35 -0.97 -1.93 0.00 0.00 178.83 175.65 1x4o h ASN 42 N 0.02 0.00 -1.62 -0.69 -1.24 -0.47 -3.34 115.58 108.24 1x4o h ASN 42 Ca 0.63 -0.07 0.48 0.00 0.71 0.00 0.00 56.30 58.05 1x4o h ASN 42 Cb 2.49 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 41.46 1x4o h ASN 42 CO -0.03 0.71 1.16 0.78 -1.29 0.00 0.00 177.43 178.76 1x4o h ASN 43 N -1.00 0.04 -0.11 1.15 2.35 0.12 0.82 115.58 118.95 1x4o h ASN 43 Ca -0.02 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1x4o h ASN 43 Cb 0.39 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1x4o h ASN 43 CO -0.01 -0.02 -0.11 0.03 -1.65 0.00 0.00 177.43 175.67 1x4o h ARG 44 N 0.02 -0.14 -0.67 0.81 3.08 -0.38 -1.06 114.38 116.04 1x4o h ARG 44 Ca 0.79 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.92 1x4o h ARG 44 Cb 3.09 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 33.13 1x4o h ARG 44 CO -0.06 -0.09 0.44 0.93 -1.07 0.00 0.00 179.97 180.12 1x4o h GLU 45 N -0.14 0.65 -6.91 0.04 5.08 0.53 -3.41 114.58 110.41 1x4o h GLU 45 Ca 0.08 -0.04 -0.49 0.00 -1.00 0.00 0.00 59.36 57.91 1x4o h GLU 45 Cb 0.26 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1x4o h GLU 45 CO -0.19 0.43 0.43 -0.80 -1.00 0.00 0.00 179.01 177.87 1x4o s ASN 46 N -6.26 6.92 -0.22 1.42 0.01 -0.40 -4.98 114.94 111.43 1x4o s ASN 46 Ca -0.09 2.10 -0.15 0.00 -0.71 0.00 0.00 52.86 54.01 1x4o s ASN 46 Cb 0.19 -2.60 -0.18 0.00 0.41 0.00 0.00 41.25 39.08 1x4o s ASN 46 CO 0.76 -0.38 0.03 0.00 -1.51 0.00 0.00 177.10 176.00 1x4o n GLN 47 N 0.31 0.61 -0.25 -0.60 6.02 -1.26 -4.40 117.38 117.82 1x4o n GLN 47 Ca 0.03 0.40 -0.05 0.00 -0.01 0.00 0.00 57.00 57.37 1x4o n GLN 47 Cb 0.48 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x4o h ALA 48 N -0.52 -0.08 0.00 -1.58 0.00 -1.93 -1.77 119.26 113.37 1x4o h ALA 48 Ca -0.49 0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 1x4o h ALA 48 Cb 1.56 0.89 0.01 0.00 0.00 0.00 0.00 17.79 20.24 1x4o h ALA 48 CO -0.22 -0.71 2.11 1.19 0.00 0.00 0.00 179.25 181.61 1x4o n PHE 49 N -5.43 1.03 1.03 0.00 3.72 -1.26 -4.13 117.46 112.41 1x4o n PHE 49 Ca 0.05 -1.64 0.11 0.00 -0.05 0.00 0.00 57.45 55.92 1x4o n PHE 49 Cb 0.36 -1.46 0.08 0.00 -0.94 0.00 0.00 39.48 37.53 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 4.11 0.93 0.00 4.37 3.41 -0.67 -3.93 113.62 121.85 1x4o n SER 50 Ca 0.36 -0.77 0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1x4o n SER 50 Cb 0.15 0.57 0.71 0.00 -0.26 0.00 0.00 64.21 65.38 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 -1.24 0.00 -1.02 7.33 1.16 -1.26 -2.25 117.46 120.18 1x4o n PHE 51 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.60 1x4o n PHE 51 Cb 0.35 -0.03 0.32 0.00 -1.61 0.00 0.00 39.48 38.52 1x4o n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1x4o n LEU 52 N -1.03 6.12 0.07 5.98 4.77 -1.25 -1.37 117.00 130.29 1x4o n LEU 52 Ca 0.18 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1x4o n LEU 52 Cb 0.09 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1x4o n LEU 52 CO 0.14 0.78 0.00 -1.22 -1.33 0.00 0.00 177.39 175.76 1x4o n TYR 53 N -0.02 -2.25 -1.83 -1.77 4.01 -1.05 -5.07 117.16 109.18 1x4o n TYR 53 Ca 0.40 0.38 -0.43 0.00 -0.16 0.00 0.00 57.90 58.08 1x4o n TYR 53 Cb 1.38 1.20 -0.03 0.00 -0.31 0.00 0.00 39.34 41.58 1x4o n TYR 53 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1x4o s ASP 54 N -3.23 5.92 0.03 7.72 2.15 -0.95 -4.86 116.67 123.45 1x4o s ASP 54 Ca 0.00 1.80 -0.18 0.00 0.43 0.00 0.00 52.55 54.60 1x4o s ASP 54 Cb 0.00 -2.52 -0.21 0.00 -0.30 0.00 0.00 42.92 39.88 1x4o s ASP 54 CO 0.00 -1.61 1.16 1.55 -0.17 0.00 0.00 175.17 176.10 1x4o h PRO 55 N 12.88 0.50 -0.72 4.34 0.13 -1.91 -3.26 132.00 143.96 1x4o h PRO 55 Ca -0.39 -0.49 0.16 0.00 -0.87 0.00 0.00 66.00 64.41 1x4o h PRO 55 Cb 1.20 0.13 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 1x4o h PRO 55 CO 0.98 1.13 -0.02 -0.91 -0.23 0.00 0.00 178.00 178.95 1x4o h ASN 56 N 0.06 -0.38 -3.96 1.44 4.21 -2.01 -3.41 115.58 111.54 1x4o h ASN 56 Ca -0.07 0.19 -0.53 0.00 1.21 0.00 0.00 56.30 57.10 1x4o h ASN 56 Cb 1.32 0.34 0.20 0.00 -1.12 0.00 0.00 38.32 39.07 1x4o h ASN 56 CO 0.13 -0.18 -0.02 -0.24 -1.29 0.00 0.00 177.43 175.83 1x4o n SER 57 N -5.35 -0.32 0.05 5.81 2.88 -1.23 -4.94 113.62 110.52 1x4o n SER 57 Ca 0.12 0.43 -0.16 0.00 -1.33 0.00 0.00 58.87 57.93 1x4o n SER 57 Cb 0.43 -1.39 -0.14 0.00 -0.75 0.00 0.00 64.21 62.36 1x4o n SER 57 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1x4o h GLN 58 N -1.56 0.22 -0.99 -1.46 7.50 -1.86 -3.37 115.11 113.58 1x4o h GLN 58 Ca -0.44 -0.37 0.11 0.00 0.50 0.00 0.00 58.65 58.45 1x4o h GLN 58 Cb 1.28 0.14 -0.13 0.00 0.05 0.00 0.00 27.48 28.82 1x4o h GLN 58 CO 0.40 1.06 -0.53 0.78 -1.50 0.00 0.00 178.83 179.04 1x4o h GLY 59 N 1.86 -0.57 -0.01 3.46 0.00 -1.89 0.82 103.07 106.75 1x4o h GLY 59 Ca -0.24 0.72 0.05 0.00 0.00 0.00 0.00 47.33 47.85 1x4o h GLY 59 CO 0.15 -0.03 -0.39 -1.82 0.00 0.00 0.00 176.54 174.45 1x4o h TYR 60 N -0.00 -1.11 0.31 5.60 3.20 -1.38 1.39 116.97 124.97 1x4o h TYR 60 Ca 0.21 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1x4o h TYR 60 Cb 0.47 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1x4o h TYR 60 CO -0.98 -0.45 -0.36 0.00 -1.64 0.00 0.00 178.16 174.73 1x4o h ARG 61 N -0.43 -0.69 -0.73 1.82 3.08 -1.05 0.40 114.38 116.77 1x4o h ARG 61 Ca 0.09 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.29 1x4o h ARG 61 Cb 0.60 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1x4o h ARG 61 CO -0.42 -0.46 0.48 -0.92 -1.07 0.00 0.00 179.97 177.58 1x4o h TYR 62 N -0.72 0.66 0.06 3.04 5.03 0.10 -2.11 116.97 123.03 1x4o h TYR 62 Ca -0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1x4o h TYR 62 Cb 0.66 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1x4o h TYR 62 CO -0.23 0.31 -0.03 -0.92 -1.32 0.00 0.00 178.16 175.97 1x4o h TYR 63 N 0.61 -0.07 -0.42 -3.82 5.03 0.28 -2.98 116.97 115.60 1x4o h TYR 63 Ca 0.34 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.72 1x4o h TYR 63 Cb 0.49 0.02 -0.09 0.00 1.55 0.00 0.00 36.73 38.71 1x4o h TYR 63 CO -0.00 0.31 -0.37 0.00 -1.32 0.00 0.00 178.16 176.78 1x4o h ARG 64 N -0.48 -0.27 -0.30 1.82 2.47 0.40 -0.38 114.38 117.64 1x4o h ARG 64 Ca -0.01 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.77 1x4o h ARG 64 Cb 0.42 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 1x4o h ARG 64 CO 0.01 -0.18 -0.43 0.37 0.56 0.00 0.00 179.97 180.30 1x4o h GLN 65 N -0.28 -0.31 -1.14 0.04 4.15 -1.46 0.54 115.11 116.65 1x4o h GLN 65 Ca 0.16 0.02 0.32 0.00 0.77 0.00 0.00 58.65 59.93 1x4o h GLN 65 Cb 0.56 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.22 1x4o h GLN 65 CO -0.57 -0.21 0.74 0.87 -1.93 0.00 0.00 178.83 177.73 1x4o h LYS 66 N -0.32 0.26 -0.01 1.69 1.79 -1.21 0.67 116.57 119.45 1x4o h LYS 66 Ca 0.05 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1x4o h LYS 66 Cb 0.47 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 1x4o h LYS 66 CO -0.45 0.17 -0.13 1.25 -1.08 0.00 0.00 179.45 179.21 1x4o h LEU 67 N 0.27 -0.38 -0.29 2.94 5.85 0.17 0.36 115.31 124.23 1x4o h LEU 67 Ca 0.67 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 59.35 1x4o h LEU 67 Cb 1.89 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1x4o h LEU 67 CO -0.32 -0.18 -0.19 -0.78 -0.34 0.00 0.00 178.44 176.63 1x4o h ASP 68 N -0.21 0.68 -0.92 1.25 3.58 0.95 0.33 116.42 122.07 1x4o h ASP 68 Ca 0.05 -0.43 0.22 0.00 0.42 0.00 0.00 57.03 57.29 1x4o h ASP 68 Cb 0.28 -0.19 -0.12 0.00 1.72 0.00 0.00 39.33 41.01 1x4o h ASP 68 CO -0.13 0.96 0.45 -0.08 -2.88 0.00 0.00 179.24 177.56 1x4o h GLU 69 N 0.39 0.44 0.00 0.28 4.57 0.44 0.20 114.58 120.90 1x4o h GLU 69 Ca 0.06 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1x4o h GLU 69 Cb 0.73 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1x4o h GLU 69 CO 0.05 0.29 -0.26 0.74 -1.18 0.00 0.00 179.01 178.66 1x4o h PHE 70 N 0.45 0.00 -0.95 0.92 0.04 -0.77 -3.37 116.94 113.27 1x4o h PHE 70 Ca 0.58 0.00 0.16 0.00 2.80 0.00 0.00 57.97 61.51 1x4o h PHE 70 Cb 1.09 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 39.08 1x4o h PHE 70 CO -0.10 0.20 -0.34 0.54 -0.60 0.00 0.00 178.31 178.01 1x4o n ARG 71 N -4.68 -0.19 -2.69 1.51 1.74 0.11 -4.89 116.66 107.57 1x4o n ARG 71 Ca -0.06 1.46 -0.03 0.00 -0.77 0.00 0.00 57.85 58.45 1x4o n ARG 71 Cb 0.18 -2.17 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 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 -5.43 -3.95 -3.50 5.56 4.76 0.68 -5.06 118.16 111.22 1x4o n LYS 72 Ca 0.11 3.06 0.00 0.00 -2.87 0.00 0.00 58.31 58.61 1x4o n LYS 72 Cb 0.40 -4.93 -0.03 0.00 -1.84 0.00 0.00 35.03 28.63 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4o s SER 73 N -1.03 -1.15 0.00 4.39 0.15 -1.26 -5.13 113.70 109.66 1x4o s SER 73 Ca -0.16 1.33 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1x4o s SER 73 Cb 0.01 2.21 0.00 0.00 -1.71 0.00 0.00 66.02 66.53 1x4o s SER 73 CO 0.74 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1x4o n GLY 74 N 5.41 -1.32 3.59 9.45 0.00 -1.26 -4.78 105.19 116.28 1x4o n GLY 74 Ca -0.09 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.73 3.43 -0.06 1.61 0.04 -1.26 -4.97 135.00 132.06 1x4o s PRO 75 Ca 0.00 0.77 -0.09 0.00 0.04 0.00 0.00 61.00 61.72 1x4o s PRO 75 Cb 0.00 -4.08 0.02 0.00 0.04 0.00 0.00 34.50 30.48 1x4o s PRO 75 CO 0.00 -1.76 0.23 0.45 0.04 0.00 0.00 177.00 175.96 1x4o s SER 76 N 4.37 -0.18 -0.35 6.66 0.15 -1.26 -4.99 113.70 118.10 1x4o s SER 76 Ca 0.59 0.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.20 1x4o s SER 76 Cb -0.13 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1x4o s SER 76 CO 0.30 -0.21 0.51 -1.54 1.20 0.00 0.00 173.24 173.50 1x4o n SER 77 N 2.31 -5.86 0.00 5.45 3.41 -1.26 -5.09 113.62 112.59 1x4o n SER 77 Ca -0.17 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1x4o n SER 77 Cb 0.57 -1.83 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49