#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 -1.75 -1.34 1.61 7.64 -1.26 -5.17 113.62 113.35 1x4o n SER 2 Ca 0.00 0.61 0.16 0.00 1.01 0.00 0.00 58.87 60.65 1x4o n SER 2 Cb 0.00 1.88 -0.06 0.00 -1.01 0.00 0.00 64.21 65.02 1x4o n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4o n SER 3 N -3.08 -7.50 0.00 6.43 2.88 -1.26 -5.04 113.62 106.05 1x4o n SER 3 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1x4o n SER 3 Cb 0.00 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 1x4o n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 4 N -4.04 -1.24 3.64 0.46 0.00 -1.26 -5.13 105.19 97.61 1x4o n GLY 4 Ca -0.04 0.44 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 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 1.20 -0.06 1.61 7.64 -1.26 -4.95 113.62 117.79 1x4o n SER 5 Ca 0.00 0.88 -0.06 0.00 1.01 0.00 0.00 58.87 60.70 1x4o n SER 5 Cb 0.00 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 61.74 1x4o n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x4o h SER 6 N 0.85 0.00 -0.55 6.43 0.02 -2.06 -3.48 113.55 114.76 1x4o h SER 6 Ca -0.48 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 1x4o h SER 6 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1x4o h SER 6 CO 0.53 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.58 1x4o n GLY 7 N 1.68 0.73 2.36 -3.77 0.00 -1.26 -4.91 105.19 100.02 1x4o n GLY 7 Ca -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 -1.31 -4.29 1.61 5.02 -1.26 -5.07 118.16 112.86 1x4o n LYS 8 Ca 0.00 1.41 -0.17 0.00 -2.02 0.00 0.00 58.31 57.52 1x4o n LYS 8 Cb 0.00 -4.09 -0.10 0.00 -0.02 0.00 0.00 35.03 30.81 1x4o n LYS 8 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x4o s VAL 9 N -2.25 1.47 0.34 -0.18 -7.23 -1.26 -5.10 120.40 106.19 1x4o s VAL 9 Ca 0.12 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1x4o s VAL 9 Cb -0.03 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1x4o s VAL 9 CO 0.47 -0.58 0.29 -0.44 -0.31 0.00 0.00 175.10 174.53 1x4o s SER 10 N -3.01 5.24 0.64 4.85 0.01 -1.26 -5.02 113.70 115.15 1x4o s SER 10 Ca 0.17 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 56.77 1x4o s SER 10 Cb -0.01 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.27 1x4o s SER 10 CO 0.04 -0.38 1.05 -2.16 0.41 0.00 0.00 173.24 172.21 1x4o s PRO 11 N -4.00 3.16 1.03 12.44 0.04 -1.26 -4.70 135.00 141.71 1x4o s PRO 11 Ca 0.41 1.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1x4o s PRO 11 Cb -0.05 -2.02 0.21 0.00 0.04 0.00 0.00 34.50 32.68 1x4o s PRO 11 CO 0.26 -0.93 1.20 -1.25 0.04 0.00 0.00 177.00 176.32 1x4o s PRO 12 N -4.58 0.13 -0.22 0.56 0.04 -1.26 -4.96 135.00 124.70 1x4o s PRO 12 Ca 0.60 -0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.47 1x4o s PRO 12 Cb -0.15 -1.76 -0.18 0.00 0.04 0.00 0.00 34.50 32.46 1x4o s PRO 12 CO 0.46 -2.81 -0.05 0.39 0.04 0.00 0.00 177.00 175.03 1x4o n GLU 13 N -4.12 0.65 -1.77 4.56 1.02 -1.26 -4.82 120.64 114.90 1x4o n GLU 13 Ca 0.12 0.28 -0.39 0.00 -0.02 0.00 0.00 57.16 57.15 1x4o n GLU 13 Cb 0.59 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 5.08 0.13 1.62 1.11 -1.26 -4.84 116.67 111.55 1x4o s ASP 14 Ca -0.32 1.06 -0.26 0.00 0.18 0.00 0.00 52.55 53.21 1x4o s ASP 14 Cb 0.09 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.52 1x4o s ASP 14 CO 0.61 -2.39 1.63 -0.08 1.18 0.00 0.00 175.17 176.11 1x4o h GLU 15 N 16.44 -0.41 -1.76 8.23 4.81 -1.99 0.94 114.58 140.84 1x4o h GLU 15 Ca -0.29 0.03 0.51 0.00 -0.13 0.00 0.00 59.36 59.48 1x4o h GLU 15 Cb 1.22 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 1x4o h GLU 15 CO 1.12 -0.27 1.29 0.93 -0.73 0.00 0.00 179.01 181.35 1x4o h GLU 16 N -0.42 0.00 0.00 1.92 5.08 -2.00 0.71 114.58 119.86 1x4o h GLU 16 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x4o h GLU 16 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x4o h GLU 16 CO -0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 177.73 1x4o h ALA 17 N 1.07 0.00 -1.44 3.43 0.00 -1.24 -1.56 119.26 119.52 1x4o h ALA 17 Ca 0.83 -0.34 0.42 0.00 0.00 0.00 0.00 54.91 55.83 1x4o h ALA 17 Cb 3.41 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 21.16 1x4o h ALA 17 CO -0.01 0.02 1.18 -0.22 0.00 0.00 0.00 179.25 180.22 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 0.14 1.23 116.57 120.58 1x4o h LYS 18 Ca -0.01 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1x4o h LYS 18 Cb 0.65 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1x4o h LYS 18 CO -0.00 0.00 -0.96 -0.97 -2.27 0.00 0.00 179.45 175.25 1x4o h ASN 19 N 0.00 0.00 -0.26 4.20 -0.73 -1.28 -3.18 115.58 114.32 1x4o h ASN 19 Ca 0.69 -0.55 0.06 0.00 1.87 0.00 0.00 56.30 58.37 1x4o h ASN 19 Cb 3.05 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 41.58 1x4o h ASN 19 CO -0.01 1.33 -0.13 -0.07 -0.37 0.00 0.00 177.43 178.19 1x4o h LEU 20 N -1.00 -0.43 0.08 0.34 3.38 0.14 0.49 115.31 118.30 1x4o h LEU 20 Ca -0.26 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x4o h LEU 20 Cb 1.17 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1x4o h LEU 20 CO -0.15 -0.16 -0.24 0.00 0.09 0.00 0.00 178.44 177.98 1x4o h ALA 21 N 1.12 -0.78 -0.41 1.53 0.00 0.98 0.70 119.26 122.41 1x4o h ALA 21 Ca 0.14 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1x4o h ALA 21 Cb 0.30 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1x4o h ALA 21 CO -0.32 -0.83 -0.42 1.49 0.00 0.00 0.00 179.25 179.17 1x4o h GLU 22 N -0.35 -0.31 -0.06 0.00 4.81 -1.47 0.23 114.58 117.43 1x4o h GLU 22 Ca -0.01 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1x4o h GLU 22 Cb 0.35 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1x4o h GLU 22 CO -0.12 -0.20 -0.31 0.87 -0.73 0.00 0.00 179.01 178.52 1x4o h LYS 23 N -0.32 -0.33 -0.85 1.92 1.57 0.31 1.48 116.57 120.35 1x4o h LYS 23 Ca 0.14 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.08 1x4o h LYS 23 Cb 0.58 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.82 1x4o h LYS 23 CO -0.57 -0.22 -0.38 1.25 -0.57 0.00 0.00 179.45 178.95 1x4o h LEU 24 N -0.34 -1.39 0.57 2.94 7.12 0.11 1.48 115.31 125.80 1x4o h LEU 24 Ca 0.02 0.28 -0.02 0.00 0.13 0.00 0.00 57.88 58.29 1x4o h LEU 24 Cb 0.39 0.71 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 1x4o h LEU 24 CO -0.24 -0.29 -0.40 0.00 -0.13 0.00 0.00 178.44 177.38 1x4o h ALA 25 N 1.18 -1.17 -0.94 1.25 0.00 0.51 0.40 119.26 120.50 1x4o h ALA 25 Ca 0.29 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.28 1x4o h ALA 25 Cb 0.57 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 1x4o h ALA 25 CO -0.88 -1.15 0.43 0.00 0.00 0.00 0.00 179.25 177.66 1x4o h ARG 26 N -0.92 0.32 0.20 0.00 3.08 0.38 1.50 114.38 118.94 1x4o h ARG 26 Ca -0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1x4o h ARG 26 Cb 0.75 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1x4o h ARG 26 CO 0.05 0.21 -0.10 0.35 -1.07 0.00 0.00 179.97 179.42 1x4o h PHE 27 N 0.33 -0.25 -0.98 3.04 3.57 0.26 -2.53 116.94 120.38 1x4o h PHE 27 Ca 0.63 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.32 1x4o h PHE 27 Cb 1.31 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 40.03 1x4o h PHE 27 CO -0.12 -0.15 0.58 0.82 -2.23 0.00 0.00 178.31 177.21 1x4o h ILE 28 N -0.33 0.67 -0.05 1.41 2.04 0.43 1.45 117.51 123.13 1x4o h ILE 28 Ca -0.03 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1x4o h ILE 28 Cb 0.20 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1x4o h ILE 28 CO 0.04 0.13 0.15 0.00 0.00 0.00 0.00 178.15 178.47 1x4o h ALA 29 N 1.65 1.34 0.00 1.87 0.00 0.21 1.20 119.26 125.54 1x4o h ALA 29 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x4o h ALA 29 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x4o h ALA 29 CO -0.40 -0.17 -0.21 -3.47 0.00 0.00 0.00 179.25 174.99 1x4o n ASP 30 N -3.27 0.80 0.00 0.00 2.03 0.50 -4.78 116.55 111.83 1x4o n ASP 30 Ca -0.01 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1x4o n ASP 30 Cb 0.23 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 1.31 0.89 0.00 0.27 0.00 0.41 -5.11 105.19 102.97 1x4o n GLY 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 1.48 0.00 -0.02 0.00 -1.17 -4.95 105.19 105.53 1x4o n GLY 32 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.20 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 0.61 -0.10 1.61 -0.04 -1.26 -2.27 135.00 133.54 1x4o n PRO 33 Ca 0.00 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 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 -1.10 0.62 -0.20 0.54 2.13 -1.26 -4.04 120.64 117.33 1x4o n GLU 34 Ca 0.16 0.35 -0.09 0.00 0.66 0.00 0.00 57.16 58.24 1x4o n GLU 34 Cb 0.12 -1.61 0.02 0.00 0.27 0.00 0.00 31.44 30.23 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 -0.68 1.26 0.00 6.31 3.04 -1.88 -1.17 116.25 123.12 1x4o h VAL 35 Ca -0.53 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1x4o h VAL 35 Cb 1.62 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1x4o h VAL 35 CO -0.22 0.36 0.00 -1.84 -1.01 0.00 0.00 177.57 174.85 1x4o n GLU 36 N -4.34 0.10 -0.06 4.17 0.28 -0.96 0.15 120.64 119.98 1x4o n GLU 36 Ca 0.02 0.59 -0.04 0.00 -0.16 0.00 0.00 57.16 57.58 1x4o n GLU 36 Cb 0.27 -1.82 -0.01 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 -2.03 1.09 -0.17 3.84 -1.04 -0.51 -3.33 114.28 112.13 1x4o n THR 37 Ca -0.01 0.28 -0.09 0.00 -2.04 0.00 0.00 64.05 62.19 1x4o n THR 37 Cb 0.03 -2.18 0.01 0.00 -1.82 0.00 0.00 70.33 66.37 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 -0.76 1.23 -0.68 12.58 5.03 -1.15 1.50 117.51 135.26 1x4o h ILE 38 Ca 0.00 -0.76 0.04 0.00 -0.12 0.00 0.00 64.86 64.02 1x4o h ILE 38 Cb 0.44 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 35.00 1x4o h ILE 38 CO 0.00 0.28 0.45 0.00 -0.68 0.00 0.00 178.15 178.19 1x4o h ALA 39 N 1.01 1.66 0.00 1.87 0.00 0.11 0.12 119.26 124.02 1x4o h ALA 39 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x4o h ALA 39 Cb 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x4o h ALA 39 CO -0.00 0.26 -0.04 -0.07 0.00 0.00 0.00 179.25 179.40 1x4o h LEU 40 N 0.77 0.00 -1.61 0.00 3.38 -1.39 -1.51 115.31 114.96 1x4o h LEU 40 Ca 0.28 -0.13 0.28 0.00 0.09 0.00 0.00 57.88 58.39 1x4o h LEU 40 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1x4o h LEU 40 CO -0.08 0.59 0.93 -0.61 0.09 0.00 0.00 178.44 179.35 1x4o h GLN 41 N -1.00 0.00 0.00 1.13 4.15 0.22 0.37 115.11 119.98 1x4o h GLN 41 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1x4o h GLN 41 Cb 0.16 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1x4o h GLN 41 CO -0.00 0.00 -0.25 -0.91 -1.93 0.00 0.00 178.83 175.73 1x4o h ASN 42 N 0.00 0.00 -1.33 -0.69 4.21 -0.83 -3.34 115.58 113.61 1x4o h ASN 42 Ca 0.45 -0.01 0.39 0.00 1.21 0.00 0.00 56.30 58.35 1x4o h ASN 42 Cb 2.30 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 39.41 1x4o h ASN 42 CO -0.00 0.63 0.90 0.78 -1.29 0.00 0.00 177.43 178.45 1x4o h ASN 43 N -1.00 0.19 -1.08 5.81 2.35 0.13 0.83 115.58 122.81 1x4o h ASN 43 Ca -0.00 0.07 0.32 0.00 -0.55 0.00 0.00 56.30 56.14 1x4o h ASN 43 Cb 0.26 0.05 -0.12 0.00 0.05 0.00 0.00 38.32 38.55 1x4o h ASN 43 CO -0.00 -0.05 0.67 0.03 -1.65 0.00 0.00 177.43 176.43 1x4o h ARG 44 N 0.12 0.32 0.05 0.81 2.47 -0.50 1.00 114.38 118.65 1x4o h ARG 44 Ca 0.72 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 59.19 1x4o h ARG 44 Cb 2.44 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 30.68 1x4o h ARG 44 CO -0.22 0.21 -1.04 0.93 0.56 0.00 0.00 179.97 180.41 1x4o h GLU 45 N 0.33 0.28 -6.81 0.04 4.39 0.50 -3.44 114.58 109.86 1x4o h GLU 45 Ca 0.70 -0.36 -0.51 0.00 0.34 0.00 0.00 59.36 59.52 1x4o h GLU 45 Cb 1.76 0.12 0.03 0.00 -0.10 0.00 0.00 28.75 30.56 1x4o h GLU 45 CO -0.45 1.10 0.53 -0.80 -1.16 0.00 0.00 179.01 178.23 1x4o s ASN 46 N -7.05 7.10 -0.20 1.42 -0.87 0.34 -4.96 114.94 110.74 1x4o s ASN 46 Ca -0.04 2.38 -0.19 0.00 -1.57 0.00 0.00 52.86 53.45 1x4o s ASN 46 Cb 0.09 -2.63 -0.20 0.00 -0.02 0.00 0.00 41.25 38.48 1x4o s ASN 46 CO 0.86 -0.28 0.22 1.67 -2.57 0.00 0.00 177.10 177.00 1x4o n GLN 47 N 1.27 0.60 -0.32 -0.60 7.27 -1.26 -4.26 117.38 120.09 1x4o n GLN 47 Ca -0.00 0.51 0.03 0.00 0.07 0.00 0.00 57.00 57.61 1x4o n GLN 47 Cb 0.44 -1.73 0.10 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.41 0.49 0.00 1.69 0.00 -1.92 -2.20 119.26 116.90 1x4o h ALA 48 Ca -0.38 0.33 -0.46 0.00 0.00 0.00 0.00 54.91 54.40 1x4o h ALA 48 Cb 1.44 0.72 0.03 0.00 0.00 0.00 0.00 17.79 19.99 1x4o h ALA 48 CO -0.17 -0.44 2.38 1.19 0.00 0.00 0.00 179.25 182.21 1x4o n PHE 49 N -5.55 1.44 -0.01 0.00 3.72 -1.26 -4.21 117.46 111.60 1x4o n PHE 49 Ca 0.12 -1.79 0.02 0.00 -0.05 0.00 0.00 57.45 55.75 1x4o n PHE 49 Cb 0.44 -1.60 -0.12 0.00 -0.94 0.00 0.00 39.48 37.26 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 5.54 0.39 0.05 4.37 3.41 -0.83 -4.00 113.62 122.56 1x4o n SER 50 Ca 0.44 0.17 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 1x4o n SER 50 Cb 0.23 0.94 0.27 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.65 0.27 0.11 7.33 1.16 -1.26 -0.21 117.46 122.21 1x4o n PHE 51 Ca -0.13 0.13 -0.02 0.00 -1.87 0.00 0.00 57.45 55.56 1x4o n PHE 51 Cb 0.81 -0.70 -0.01 0.00 -1.61 0.00 0.00 39.48 37.97 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 -2.32 115.31 120.43 1x4o h LEU 52 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4o h LEU 52 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1x4o h LEU 52 CO 0.00 0.71 -0.56 -1.22 0.09 0.00 0.00 178.44 177.46 1x4o n TYR 53 N -3.32 0.00 -1.48 1.13 4.01 -0.01 -4.92 117.16 112.57 1x4o n TYR 53 Ca 0.01 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.28 1x4o n TYR 53 Cb 0.80 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 39.49 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 -3.78 2.07 -0.01 7.72 9.92 0.71 -4.80 116.55 128.38 1x4o n ASP 54 Ca -0.08 0.23 -0.17 0.00 -0.53 0.00 0.00 54.79 54.24 1x4o n ASP 54 Cb 0.29 -1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 39.37 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x4o h PRO 55 N 13.68 0.45 -1.24 -0.24 0.13 -1.87 -3.17 132.00 139.74 1x4o h PRO 55 Ca -0.26 -0.44 0.37 0.00 -0.87 0.00 0.00 66.00 64.80 1x4o h PRO 55 Cb 1.31 0.11 -0.10 0.00 0.13 0.00 0.00 31.00 32.45 1x4o h PRO 55 CO 1.07 1.09 0.83 -0.97 -0.23 0.00 0.00 178.00 179.79 1x4o h ASN 56 N -0.02 0.26 -2.80 1.44 -0.73 -1.98 -3.38 115.58 108.37 1x4o h ASN 56 Ca -0.06 0.08 -0.55 0.00 1.87 0.00 0.00 56.30 57.64 1x4o h ASN 56 Cb 1.26 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.90 1x4o h ASN 56 CO 0.12 -0.04 0.94 -0.55 -0.37 0.00 0.00 177.43 177.52 1x4o s SER 57 N -4.84 6.80 0.60 1.15 0.15 -1.20 -4.86 113.70 111.51 1x4o s SER 57 Ca -0.07 2.08 0.29 0.00 0.70 0.00 0.00 55.95 58.94 1x4o s SER 57 Cb 0.27 -2.55 1.49 0.00 -1.71 0.00 0.00 66.02 63.52 1x4o s SER 57 CO 0.82 -0.80 1.90 1.56 1.20 0.00 0.00 173.24 177.92 1x4o h GLN 58 N 8.47 0.00 -0.24 5.44 7.50 -1.88 -1.13 115.11 133.27 1x4o h GLN 58 Ca -0.36 0.00 0.06 0.00 0.50 0.00 0.00 58.65 58.85 1x4o h GLN 58 Cb 1.16 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.62 1x4o h GLN 58 CO 0.93 0.00 -0.22 0.78 -1.50 0.00 0.00 178.83 178.83 1x4o h GLY 59 N 0.00 -0.11 -0.45 3.46 0.00 -1.87 -0.66 103.07 103.44 1x4o h GLY 59 Ca 0.19 0.27 0.20 0.00 0.00 0.00 0.00 47.33 47.99 1x4o h GLY 59 CO -0.00 -0.19 0.07 -1.82 0.00 0.00 0.00 176.54 174.60 1x4o h TYR 60 N -0.22 0.06 0.13 5.60 3.20 -0.60 0.65 116.97 125.79 1x4o h TYR 60 Ca 0.14 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1x4o h TYR 60 Cb 0.43 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1x4o h TYR 60 CO -0.38 -0.25 -0.06 0.00 -1.64 0.00 0.00 178.16 175.83 1x4o h ARG 61 N 0.13 -0.16 -1.34 1.82 -0.00 -1.37 -1.65 114.38 111.80 1x4o h ARG 61 Ca 0.47 0.01 0.41 0.00 -0.50 0.00 0.00 59.98 60.38 1x4o h ARG 61 Cb 0.89 0.04 -0.11 0.00 0.00 0.00 0.00 29.97 30.79 1x4o h ARG 61 CO -0.69 -0.11 0.90 -0.92 0.00 0.00 0.00 179.97 179.15 1x4o h TYR 62 N -0.21 0.41 0.73 3.04 5.03 -0.71 0.18 116.97 125.44 1x4o h TYR 62 Ca -0.02 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 1x4o h TYR 62 Cb 0.13 -0.11 0.01 0.00 1.55 0.00 0.00 36.73 38.31 1x4o h TYR 62 CO 0.15 -0.11 -0.35 -0.92 -1.32 0.00 0.00 178.16 175.61 1x4o h TYR 63 N 0.12 -0.90 -0.67 -3.82 3.20 0.41 -2.37 116.97 112.93 1x4o h TYR 63 Ca 0.76 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.70 1x4o h TYR 63 Cb 2.51 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 41.01 1x4o h TYR 63 CO -0.00 -0.56 0.32 0.00 -1.64 0.00 0.00 178.16 176.28 1x4o h ARG 64 N -1.19 0.55 -0.52 1.82 2.47 0.07 -1.58 114.38 116.00 1x4o h ARG 64 Ca -0.10 -0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1x4o h ARG 64 Cb 0.75 -0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 28.84 1x4o h ARG 64 CO 0.16 0.36 -0.16 0.37 0.56 0.00 0.00 179.97 181.26 1x4o h GLN 65 N 0.56 -0.03 -0.83 0.04 -0.00 -0.75 0.67 115.11 114.76 1x4o h GLN 65 Ca 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 59.02 1x4o h GLN 65 Cb 0.33 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.77 1x4o h GLN 65 CO -0.26 -0.02 0.55 0.87 0.00 0.00 0.00 178.83 179.97 1x4o h LYS 66 N -0.03 0.99 0.37 1.69 1.79 -0.76 0.77 116.57 121.40 1x4o h LYS 66 Ca 0.25 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1x4o h LYS 66 Cb 0.42 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1x4o h LYS 66 CO -0.56 0.66 -0.18 1.25 -1.08 0.00 0.00 179.45 179.54 1x4o h LEU 67 N 1.02 -0.43 -2.24 2.94 5.85 0.40 0.40 115.31 123.25 1x4o h LEU 67 Ca 0.34 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1x4o h LEU 67 Cb 0.06 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1x4o h LEU 67 CO -0.10 -0.13 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.04 1x4o h ASP 68 N -0.74 0.00 0.00 1.25 1.82 0.59 -0.46 116.42 118.88 1x4o h ASP 68 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1x4o h ASP 68 Cb 0.51 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.52 1x4o h ASP 68 CO 0.08 0.05 0.00 1.21 -1.61 0.00 0.00 179.24 178.98 1x4o n GLU 69 N -3.69 0.00 -0.22 0.28 4.07 0.26 -2.75 120.64 118.60 1x4o n GLU 69 Ca -0.02 0.43 -0.02 0.00 -0.06 0.00 0.00 57.16 57.49 1x4o n GLU 69 Cb 0.15 -1.04 0.05 0.00 -0.06 0.00 0.00 31.44 30.54 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 -0.59 -0.33 4.31 0.04 -0.20 -1.17 116.94 119.01 1x4o h PHE 70 Ca 0.00 0.07 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1x4o h PHE 70 Cb 0.00 0.36 -0.08 0.00 2.20 0.00 0.00 35.95 38.43 1x4o h PHE 70 CO 0.04 -0.33 -0.52 0.00 -0.60 0.00 0.00 178.31 176.90 1x4o h ARG 71 N -0.07 -0.42 -3.16 1.51 3.08 -1.24 -2.27 114.38 111.80 1x4o h ARG 71 Ca 0.29 0.03 -0.76 0.00 0.07 0.00 0.00 59.98 59.61 1x4o h ARG 71 Cb 0.52 0.10 -0.17 0.00 0.08 0.00 0.00 29.97 30.50 1x4o h ARG 71 CO -0.69 -0.28 1.94 1.63 -1.07 0.00 0.00 179.97 181.49 1x4o n LYS 72 N -5.40 4.04 -3.62 0.04 5.02 -0.46 -4.87 118.16 112.90 1x4o n LYS 72 Ca -0.04 -3.68 -0.15 0.00 -2.02 0.00 0.00 58.31 52.43 1x4o n LYS 72 Cb 0.36 -2.78 -0.07 0.00 -0.02 0.00 0.00 35.03 32.51 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x4o s SER 73 N 0.31 -0.66 0.00 4.39 0.15 -0.86 -4.83 113.70 112.21 1x4o s SER 73 Ca 0.42 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.18 1x4o s SER 73 Cb 0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1x4o s SER 73 CO -0.01 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1x4o n GLY 74 N 2.17 -2.23 0.12 9.45 0.00 -1.26 -4.98 105.19 108.46 1x4o n GLY 74 Ca -0.16 0.71 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 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 0.31 0.00 1.61 0.13 -2.02 -3.48 132.00 128.56 1x4o h PRO 75 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1x4o h PRO 75 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1x4o h PRO 75 CO 0.00 0.98 0.00 0.45 -0.23 0.00 0.00 178.00 179.20 1x4o n SER 76 N -4.37 0.00 -4.00 1.44 2.88 -1.26 -5.15 113.62 103.15 1x4o n SER 76 Ca -0.09 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 1x4o n SER 76 Cb 0.56 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 1x4o n SER 76 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4o s SER 77 N 0.00 2.78 0.00 -3.46 0.15 -1.26 -4.97 113.70 106.94 1x4o s SER 77 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1x4o s SER 77 Cb 0.00 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1x4o s SER 77 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97