#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 -6.93 -4.11 1.61 3.41 -1.26 -5.00 113.62 101.34 1x4o n SER 2 Ca 0.00 0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 58.97 1x4o n SER 2 Cb 0.00 -2.97 -0.16 0.00 -0.26 0.00 0.00 64.21 60.82 1x4o n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4o s SER 3 N -1.40 1.97 0.00 4.04 1.04 -1.26 -5.11 113.70 112.99 1x4o s SER 3 Ca 0.09 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1x4o s SER 3 Cb -0.01 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1x4o s SER 3 CO 0.43 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x4o n GLY 4 N 3.15 3.01 3.76 7.32 0.00 -1.26 -5.14 105.19 116.02 1x4o n GLY 4 Ca -0.18 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 2.00 5.58 -0.06 1.61 0.01 -1.26 -4.96 113.70 116.62 1x4o s SER 5 Ca 0.00 2.77 -0.15 0.00 1.31 0.00 0.00 55.95 59.87 1x4o s SER 5 Cb 0.00 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.49 1x4o s SER 5 CO 0.00 -1.36 0.62 -1.28 0.41 0.00 0.00 173.24 171.63 1x4o h SER 6 N 1.83 -0.26 -4.59 2.44 0.87 -2.04 -3.50 113.55 108.30 1x4o h SER 6 Ca -0.51 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1x4o h SER 6 Cb 1.28 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1x4o h SER 6 CO 0.59 0.26 -0.96 0.61 -0.53 0.00 0.00 176.83 176.79 1x4o n GLY 7 N 0.76 -5.65 3.56 5.77 0.00 -1.26 -4.82 105.19 103.56 1x4o n GLY 7 Ca -0.06 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.66 3.46 0.59 1.61 1.02 -1.26 -5.01 119.74 119.50 1x4o s LYS 8 Ca 0.00 0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.15 1x4o s LYS 8 Cb 0.00 -4.02 0.08 0.00 -0.52 0.00 0.00 37.83 33.37 1x4o s LYS 8 CO 0.00 -1.62 0.82 0.14 -0.92 0.00 0.00 175.35 173.77 1x4o s VAL 9 N 4.65 2.34 0.30 3.17 -7.23 -1.26 -5.13 120.40 117.24 1x4o s VAL 9 Ca 0.39 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.80 1x4o s VAL 9 Cb -0.09 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1x4o s VAL 9 CO 0.24 0.00 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.52 1x4o s SER 10 N -4.61 3.10 0.69 4.85 0.01 -1.26 -5.09 113.70 111.39 1x4o s SER 10 Ca 0.62 -1.20 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 1x4o s SER 10 Cb -0.07 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1x4o s SER 10 CO 0.40 -0.30 1.06 -2.16 0.41 0.00 0.00 173.24 172.65 1x4o s PRO 11 N -3.69 2.95 0.92 12.44 0.04 -1.26 -4.62 135.00 141.79 1x4o s PRO 11 Ca 0.31 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1x4o s PRO 11 Cb 0.03 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.73 1x4o s PRO 11 CO 0.14 -1.09 1.14 -1.25 0.04 0.00 0.00 177.00 175.98 1x4o s PRO 12 N -5.03 1.02 -0.12 0.56 0.04 -1.26 -4.90 135.00 125.31 1x4o s PRO 12 Ca 0.58 0.25 -0.07 0.00 0.04 0.00 0.00 61.00 61.80 1x4o s PRO 12 Cb -0.14 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1x4o s PRO 12 CO 0.55 -2.27 -0.13 1.49 0.04 0.00 0.00 177.00 176.68 1x4o h GLU 13 N -1.55 0.00 -6.09 4.56 4.81 -1.97 -3.46 114.58 110.88 1x4o h GLU 13 Ca -0.50 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 1x4o h GLU 13 Cb 1.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 1x4o h GLU 13 CO 0.60 0.00 1.22 -0.25 -0.73 0.00 0.00 179.01 179.85 1x4o n ASP 14 N -4.41 2.46 0.07 1.04 8.00 -1.26 -4.83 116.55 117.62 1x4o n ASP 14 Ca -0.05 0.70 -0.12 0.00 0.71 0.00 0.00 54.79 56.03 1x4o n ASP 14 Cb 0.20 -1.25 -0.06 0.00 -0.02 0.00 0.00 41.12 39.98 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1x4o h GLU 15 N 10.37 -0.13 -1.33 -1.24 4.81 -2.00 -1.15 114.58 123.91 1x4o h GLU 15 Ca -0.37 0.01 0.38 0.00 -0.13 0.00 0.00 59.36 59.26 1x4o h GLU 15 Cb 1.31 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 1x4o h GLU 15 CO 0.99 -0.09 1.04 0.93 -0.73 0.00 0.00 179.01 181.16 1x4o h GLU 16 N -0.13 0.00 0.16 1.92 5.08 -2.00 0.25 114.58 119.85 1x4o h GLU 16 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1x4o h GLU 16 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1x4o h GLU 16 CO -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.90 1x4o h ALA 17 N 1.16 -0.21 -1.80 3.43 0.00 -1.59 0.10 119.26 120.35 1x4o h ALA 17 Ca 0.63 -0.13 0.52 0.00 0.00 0.00 0.00 54.91 55.93 1x4o h ALA 17 Cb 2.71 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 20.51 1x4o h ALA 17 CO -0.01 -0.22 1.35 -0.22 0.00 0.00 0.00 179.25 180.15 1x4o h LYS 18 N -1.02 0.00 0.00 0.00 3.64 -0.10 1.25 116.57 120.34 1x4o h LYS 18 Ca -0.02 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1x4o h LYS 18 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1x4o h LYS 18 CO 0.04 0.00 -0.92 -0.97 -2.27 0.00 0.00 179.45 175.32 1x4o h ASN 19 N 0.00 0.00 0.04 4.20 -0.73 -1.33 -3.25 115.58 114.51 1x4o h ASN 19 Ca 0.85 -0.48 0.03 0.00 1.87 0.00 0.00 56.30 58.57 1x4o h ASN 19 Cb 3.54 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 42.08 1x4o h ASN 19 CO -0.01 1.28 -0.35 -0.07 -0.37 0.00 0.00 177.43 177.91 1x4o h LEU 20 N -1.00 -1.04 -0.07 0.34 3.38 0.31 0.87 115.31 118.10 1x4o h LEU 20 Ca -0.23 0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1x4o h LEU 20 Cb 1.09 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1x4o h LEU 20 CO -0.14 -0.41 -0.09 0.00 0.09 0.00 0.00 178.44 177.88 1x4o h ALA 21 N 0.13 -0.34 -0.19 1.53 0.00 0.96 0.65 119.26 122.01 1x4o h ALA 21 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1x4o h ALA 21 Cb 0.59 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1x4o h ALA 21 CO -0.26 -0.39 -0.15 1.49 0.00 0.00 0.00 179.25 179.94 1x4o h GLU 22 N -0.06 -0.05 -0.96 0.00 4.81 -1.54 0.22 114.58 117.00 1x4o h GLU 22 Ca 0.01 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1x4o h GLU 22 Cb 0.09 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.37 1x4o h GLU 22 CO -0.10 -0.04 -0.58 0.87 -0.73 0.00 0.00 179.01 178.43 1x4o h LYS 23 N -0.06 -0.02 -0.57 1.92 1.57 -0.46 1.53 116.57 120.49 1x4o h LYS 23 Ca 0.03 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1x4o h LYS 23 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 1x4o h LYS 23 CO -0.21 -0.01 -0.36 1.25 -0.57 0.00 0.00 179.45 179.55 1x4o h LEU 24 N -0.02 -1.30 0.11 2.94 7.12 0.16 0.89 115.31 125.21 1x4o h LEU 24 Ca 0.15 0.19 0.02 0.00 0.13 0.00 0.00 57.88 58.38 1x4o h LEU 24 Cb 0.42 0.57 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 1x4o h LEU 24 CO -0.91 -0.15 -0.24 0.00 -0.13 0.00 0.00 178.44 177.00 1x4o h ALA 25 N -0.14 -0.40 -1.33 1.25 0.00 0.11 0.95 119.26 119.69 1x4o h ALA 25 Ca 0.09 -0.03 0.39 0.00 0.00 0.00 0.00 54.91 55.36 1x4o h ALA 25 Cb 0.26 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1x4o h ALA 25 CO -0.55 -0.77 0.92 0.00 0.00 0.00 0.00 179.25 178.85 1x4o h ARG 26 N -0.44 0.09 0.00 0.00 2.47 0.43 1.53 114.38 118.46 1x4o h ARG 26 Ca 0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1x4o h ARG 26 Cb 0.47 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1x4o h ARG 26 CO -0.15 0.06 -0.34 0.35 0.56 0.00 0.00 179.97 180.45 1x4o h PHE 27 N 0.09 0.00 -0.10 3.04 3.57 0.27 -3.19 116.94 120.63 1x4o h PHE 27 Ca 0.69 0.00 0.03 0.00 3.53 0.00 0.00 57.97 62.22 1x4o h PHE 27 Cb 2.45 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 41.19 1x4o h PHE 27 CO -0.00 0.00 0.37 0.82 -2.23 0.00 0.00 178.31 177.26 1x4o h ILE 28 N -0.98 0.09 0.00 1.41 2.04 0.16 1.46 117.51 121.70 1x4o h ILE 28 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 1x4o h ILE 28 Cb 0.34 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1x4o h ILE 28 CO 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 178.15 177.27 1x4o h ALA 29 N 1.36 0.45 0.00 1.87 0.00 0.20 -2.94 119.26 120.21 1x4o h ALA 29 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1x4o h ALA 29 Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1x4o h ALA 29 CO -0.00 1.10 0.00 -0.25 0.00 0.00 0.00 179.25 180.10 1x4o n ASP 30 N -3.36 0.00 0.00 0.00 9.92 0.50 -4.66 116.55 118.95 1x4o n ASP 30 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1x4o n ASP 30 Cb 0.88 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4o n GLY 31 N 0.69 1.30 0.00 0.44 0.00 -1.04 -5.10 105.19 101.48 1x4o n GLY 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.34 0.00 -0.02 0.00 -1.22 -4.95 105.19 105.34 1x4o n GLY 32 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.65 -0.11 1.61 -0.04 -1.26 -2.41 135.00 133.44 1x4o n PRO 33 Ca 0.00 0.02 -0.24 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 -1.07 0.61 -0.12 0.54 2.13 -1.26 -3.87 120.64 117.61 1x4o n GLU 34 Ca 0.16 0.35 -0.10 0.00 0.66 0.00 0.00 57.16 58.24 1x4o n GLU 34 Cb 0.11 -1.61 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 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 -0.72 1.20 0.00 6.31 3.04 -1.88 0.78 116.25 124.99 1x4o h VAL 35 Ca -0.53 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1x4o h VAL 35 Cb 1.61 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1x4o h VAL 35 CO -0.24 0.23 0.00 -1.84 -1.01 0.00 0.00 177.57 174.70 1x4o n GLU 36 N -4.66 0.11 -0.09 4.17 0.28 -1.01 0.17 120.64 119.61 1x4o n GLU 36 Ca -0.01 0.55 -0.13 0.00 -0.16 0.00 0.00 57.16 57.42 1x4o n GLU 36 Cb 0.16 -1.82 -0.05 0.00 1.43 0.00 0.00 31.44 31.16 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 1.47 -0.06 3.84 -1.04 -0.41 -3.46 114.28 112.57 1x4o n THR 37 Ca -0.00 0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 1x4o n THR 37 Cb 0.07 -2.24 -0.07 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 -1.00 1.33 -0.95 12.58 5.03 -0.64 0.52 117.51 134.38 1x4o h ILE 38 Ca -0.17 -1.24 0.11 0.00 -0.12 0.00 0.00 64.86 63.44 1x4o h ILE 38 Cb 0.92 1.79 -0.07 0.00 -3.03 0.00 0.00 36.82 36.43 1x4o h ILE 38 CO -0.10 0.37 0.61 0.00 -0.68 0.00 0.00 178.15 178.35 1x4o h ALA 39 N 0.64 1.58 0.01 1.87 0.00 0.15 0.77 119.26 124.28 1x4o h ALA 39 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x4o h ALA 39 Cb 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x4o h ALA 39 CO 0.03 0.21 -0.01 -0.07 0.00 0.00 0.00 179.25 179.42 1x4o h LEU 40 N 0.95 -0.01 -2.40 0.00 3.38 -1.55 1.27 115.31 116.95 1x4o h LEU 40 Ca 0.45 -0.72 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1x4o h LEU 40 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1x4o h LEU 40 CO -0.21 0.73 0.15 -0.61 0.09 0.00 0.00 178.44 178.58 1x4o h GLN 41 N -0.77 0.00 0.03 1.13 4.15 0.73 0.84 115.11 121.22 1x4o h GLN 41 Ca -0.00 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.04 1x4o h GLN 41 Cb 0.73 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 1x4o h GLN 41 CO 0.00 0.00 -2.13 -1.71 -1.93 0.00 0.00 178.83 173.07 1x4o n ASN 42 N -3.54 1.98 0.06 -0.69 2.85 0.26 -4.07 115.26 112.11 1x4o n ASN 42 Ca -0.01 0.21 0.07 0.00 -0.11 0.00 0.00 54.58 54.75 1x4o n ASN 42 Cb 0.24 -0.76 0.33 0.00 1.24 0.00 0.00 39.78 40.83 1x4o n ASN 42 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1x4o n ASN 43 N -3.89 0.26 0.23 1.20 3.02 0.43 -2.98 115.26 113.54 1x4o n ASN 43 Ca -0.43 0.58 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 1x4o n ASN 43 Cb 0.90 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 39.34 1x4o n ASN 43 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1x4o h ARG 44 N 0.00 -0.89 -0.91 3.52 3.08 0.54 -2.36 114.38 117.37 1x4o h ARG 44 Ca 0.00 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1x4o h ARG 44 Cb 0.18 0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1x4o h ARG 44 CO 0.00 -0.59 0.53 1.05 -1.07 0.00 0.00 179.97 179.88 1x4o h GLU 45 N -0.92 1.25 -6.55 0.04 4.11 -1.78 -3.42 114.58 107.31 1x4o h GLU 45 Ca -0.04 -0.13 -0.59 0.00 0.07 0.00 0.00 59.36 58.67 1x4o h GLU 45 Cb 0.83 -0.25 0.08 0.00 0.50 0.00 0.00 28.75 29.91 1x4o h GLU 45 CO -0.14 0.90 0.56 0.09 0.07 0.00 0.00 179.01 180.49 1x4o n ASN 46 N -4.36 2.54 -0.07 3.06 3.02 -0.89 -4.90 115.26 113.67 1x4o n ASN 46 Ca 0.10 1.14 -0.22 0.00 -0.03 0.00 0.00 54.58 55.58 1x4o n ASN 46 Cb 0.08 -1.40 -0.13 0.00 -0.61 0.00 0.00 39.78 37.72 1x4o n ASN 46 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1x4o n GLN 47 N 1.97 0.68 -0.32 3.52 7.27 -1.26 -4.23 117.38 125.01 1x4o n GLN 47 Ca 0.12 0.29 0.20 0.00 0.07 0.00 0.00 57.00 57.68 1x4o n GLN 47 Cb 0.31 -1.64 0.40 0.00 2.41 0.00 0.00 30.24 31.72 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 -0.17 1.67 -0.55 1.69 0.00 -1.93 0.13 119.26 120.10 1x4o h ALA 48 Ca -0.49 0.22 -0.71 0.00 0.00 0.00 0.00 54.91 53.94 1x4o h ALA 48 Cb 1.82 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 19.76 1x4o h ALA 48 CO -0.07 -0.57 2.36 1.19 0.00 0.00 0.00 179.25 182.17 1x4o n PHE 49 N -5.16 2.46 0.52 0.00 3.72 -1.26 -4.42 117.46 113.32 1x4o n PHE 49 Ca 0.28 -2.76 0.12 0.00 -0.05 0.00 0.00 57.45 55.04 1x4o n PHE 49 Cb 0.89 -1.86 0.08 0.00 -0.94 0.00 0.00 39.48 37.64 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 1.85 0.66 0.00 4.37 3.41 0.03 -3.78 113.62 120.16 1x4o n SER 50 Ca 0.63 -0.02 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1x4o n SER 50 Cb 0.28 0.52 0.33 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.09 0.00 0.30 7.33 1.16 -1.26 -1.22 117.46 121.68 1x4o n PHE 51 Ca 0.02 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.72 1x4o n PHE 51 Cb 0.45 -0.33 0.09 0.00 -1.61 0.00 0.00 39.48 38.08 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 -4.47 5.98 3.38 -1.93 -2.50 115.31 115.76 1x4o h LEU 52 Ca 0.00 -0.09 -0.59 0.00 0.09 0.00 0.00 57.88 57.30 1x4o h LEU 52 Cb 0.15 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.48 1x4o h LEU 52 CO 0.00 0.04 -0.74 -1.22 0.09 0.00 0.00 178.44 176.62 1x4o n TYR 53 N -2.49 3.37 -3.15 1.13 4.01 -0.36 -4.91 117.16 114.76 1x4o n TYR 53 Ca 0.02 -3.06 0.05 0.00 -0.16 0.00 0.00 57.90 54.75 1x4o n TYR 53 Cb 0.50 -0.10 -0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -3.54 -0.42 0.17 7.72 2.15 -1.24 -5.03 116.67 116.48 1x4o s ASP 54 Ca 0.48 0.06 0.01 0.00 0.43 0.00 0.00 52.55 53.53 1x4o s ASP 54 Cb 0.40 1.27 0.02 0.00 -0.30 0.00 0.00 42.92 44.31 1x4o s ASP 54 CO -0.17 -0.08 1.39 1.55 -0.17 0.00 0.00 175.17 177.69 1x4o h PRO 55 N 7.31 0.28 -0.87 4.34 0.13 -1.91 -3.18 132.00 138.11 1x4o h PRO 55 Ca -0.09 -0.28 0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1x4o h PRO 55 Cb 1.18 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1x4o h PRO 55 CO -0.10 0.96 0.43 -0.97 -0.23 0.00 0.00 178.00 178.10 1x4o h ASN 56 N 0.17 0.48 -4.09 1.44 -1.24 -1.97 -3.42 115.58 106.95 1x4o h ASN 56 Ca -0.04 0.11 -0.50 0.00 0.71 0.00 0.00 56.30 56.58 1x4o h ASN 56 Cb 1.43 0.05 0.17 0.00 0.73 0.00 0.00 38.32 40.69 1x4o h ASN 56 CO 0.13 0.15 0.23 -0.55 -1.29 0.00 0.00 177.43 176.11 1x4o s SER 57 N -5.35 3.26 0.26 1.15 0.15 -1.20 -4.94 113.70 107.03 1x4o s SER 57 Ca -0.12 1.78 0.18 0.00 0.70 0.00 0.00 55.95 58.49 1x4o s SER 57 Cb 0.23 -2.39 0.08 0.00 -1.71 0.00 0.00 66.02 62.23 1x4o s SER 57 CO 0.78 -2.82 1.30 1.56 1.20 0.00 0.00 173.24 175.26 1x4o h GLN 58 N -1.67 0.00 0.11 5.44 1.08 -1.86 -3.34 115.11 114.87 1x4o h GLN 58 Ca -0.48 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.74 1x4o h GLN 58 Cb 1.27 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.67 1x4o h GLN 58 CO 0.49 0.26 -0.28 0.78 -0.95 0.00 0.00 178.83 179.14 1x4o h GLY 59 N 3.74 -0.52 0.44 3.46 0.00 -1.87 0.46 103.07 108.78 1x4o h GLY 59 Ca -0.03 0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1x4o h GLY 59 CO 0.04 -0.23 -0.07 -1.82 0.00 0.00 0.00 176.54 174.45 1x4o h TYR 60 N -0.49 -0.16 0.50 5.60 5.03 -1.57 0.43 116.97 126.30 1x4o h TYR 60 Ca 0.03 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1x4o h TYR 60 Cb 0.53 0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.92 1x4o h TYR 60 CO -0.26 -0.12 -0.26 0.00 -1.32 0.00 0.00 178.16 176.19 1x4o h ARG 61 N -0.01 -0.67 -1.07 1.82 3.08 -1.59 0.23 114.38 116.17 1x4o h ARG 61 Ca 0.13 0.05 0.29 0.00 0.07 0.00 0.00 59.98 60.52 1x4o h ARG 61 Cb 0.21 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 1x4o h ARG 61 CO -0.29 -0.45 0.71 -0.92 -1.07 0.00 0.00 179.97 177.96 1x4o h TYR 62 N -0.70 0.49 0.36 3.04 5.03 0.03 -0.59 116.97 124.64 1x4o h TYR 62 Ca -0.07 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 1x4o h TYR 62 Cb 0.54 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.68 1x4o h TYR 62 CO 0.07 0.04 -0.17 -0.92 -1.32 0.00 0.00 178.16 175.85 1x4o h TYR 63 N 0.29 -0.45 -0.53 -3.82 3.20 0.23 -2.90 116.97 112.98 1x4o h TYR 63 Ca 0.59 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.55 1x4o h TYR 63 Cb 1.70 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 40.02 1x4o h TYR 63 CO -0.00 -0.12 -0.18 0.00 -1.64 0.00 0.00 178.16 176.21 1x4o h ARG 64 N -0.91 -0.06 -0.39 1.82 2.47 0.91 -0.82 114.38 117.40 1x4o h ARG 64 Ca -0.05 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 1x4o h ARG 64 Cb 0.54 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.78 1x4o h ARG 64 CO 0.08 -0.04 -0.44 0.37 0.56 0.00 0.00 179.97 180.50 1x4o h GLN 65 N -0.06 -0.33 -0.41 0.04 4.15 -1.25 0.37 115.11 117.62 1x4o h GLN 65 Ca 0.25 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.78 1x4o h GLN 65 Cb 0.45 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.13 1x4o h GLN 65 CO -0.58 -0.22 -0.18 0.87 -1.93 0.00 0.00 178.83 176.79 1x4o h LYS 66 N -0.35 -0.10 -0.03 1.69 1.79 -1.01 0.55 116.57 119.11 1x4o h LYS 66 Ca 0.13 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1x4o h LYS 66 Cb 0.59 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1x4o h LYS 66 CO -0.57 -0.07 -0.06 1.25 -1.08 0.00 0.00 179.45 178.92 1x4o h LEU 67 N -0.11 -0.20 -1.20 2.94 5.85 0.29 0.14 115.31 123.02 1x4o h LEU 67 Ca 0.20 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.21 1x4o h LEU 67 Cb 0.41 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 1x4o h LEU 67 CO -0.48 -0.05 0.64 -0.78 -0.34 0.00 0.00 178.44 177.43 1x4o h ASP 68 N -0.06 0.54 0.01 1.25 3.58 -0.56 0.79 116.42 121.97 1x4o h ASP 68 Ca 0.01 0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.58 1x4o h ASP 68 Cb 0.07 0.03 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1x4o h ASP 68 CO -0.06 0.08 -0.49 -0.08 -2.88 0.00 0.00 179.24 175.82 1x4o h GLU 69 N 0.47 -0.59 0.04 0.28 4.22 0.27 0.12 114.58 119.38 1x4o h GLU 69 Ca 0.63 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 60.11 1x4o h GLU 69 Cb 1.42 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1x4o h GLU 69 CO -0.38 -0.40 -0.02 0.74 -2.18 0.00 0.00 179.01 176.77 1x4o h PHE 70 N -0.62 -0.05 -0.55 0.92 0.04 0.56 -3.33 116.94 113.92 1x4o h PHE 70 Ca 0.01 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.83 1x4o h PHE 70 Cb 0.66 0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.75 1x4o h PHE 70 CO -0.50 0.54 -0.34 0.00 -0.60 0.00 0.00 178.31 177.41 1x4o h ARG 71 N -0.68 -0.03 -5.02 1.51 3.08 0.60 -3.47 114.38 110.38 1x4o h ARG 71 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x4o h ARG 71 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 1x4o h ARG 71 CO 0.01 -0.02 -1.27 1.63 -1.07 0.00 0.00 179.97 179.25 1x4o n LYS 72 N -4.31 -3.98 -1.31 0.04 5.02 0.41 -4.86 118.16 109.16 1x4o n LYS 72 Ca 0.01 3.08 0.17 0.00 -2.02 0.00 0.00 58.31 59.55 1x4o n LYS 72 Cb 0.16 -5.16 -0.07 0.00 -0.02 0.00 0.00 35.03 29.94 1x4o n LYS 72 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4o n SER 73 N 1.17 -7.81 -3.15 4.39 7.64 -1.26 -4.96 113.62 109.63 1x4o n SER 73 Ca -0.21 0.99 0.03 0.00 1.01 0.00 0.00 58.87 60.69 1x4o n SER 73 Cb 0.32 -4.28 -0.00 0.00 -1.01 0.00 0.00 64.21 59.23 1x4o n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4o s GLY 74 N -7.03 -1.25 -0.19 0.23 0.00 -1.26 -5.12 107.32 92.69 1x4o s GLY 74 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.40 1x4o s GLY 74 CO 0.00 3.75 1.29 2.56 0.00 0.00 0.00 173.10 180.70 1x4o s PRO 75 N 2.58 4.15 -0.47 2.90 0.04 -1.26 -4.94 135.00 138.00 1x4o s PRO 75 Ca 0.13 1.58 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1x4o s PRO 75 Cb -0.07 -3.80 0.18 0.00 0.04 0.00 0.00 34.50 30.85 1x4o s PRO 75 CO -0.21 -0.82 0.66 -1.12 0.04 0.00 0.00 177.00 175.55 1x4o s SER 76 N 2.26 -1.18 -0.39 6.66 0.01 -1.26 -5.02 113.70 114.78 1x4o s SER 76 Ca 0.56 -1.49 -0.20 0.00 1.31 0.00 0.00 55.95 56.13 1x4o s SER 76 Cb -0.21 1.72 0.03 0.00 0.21 0.00 0.00 66.02 67.77 1x4o s SER 76 CO 0.17 -0.11 0.50 -0.24 0.41 0.00 0.00 173.24 173.97 1x4o n SER 77 N 3.49 -7.15 -0.55 2.44 2.88 -1.26 -5.18 113.62 108.28 1x4o n SER 77 Ca 0.16 0.45 0.14 0.00 -1.33 0.00 0.00 58.87 58.28 1x4o n SER 77 Cb 0.55 -4.01 0.46 0.00 -0.75 0.00 0.00 64.21 60.46 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42