#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frd s SER 2 N 0.00 3.76 0.11 0.00 1.04 -1.26 -0.43 113.70 116.92 1frd s SER 2 Ca 0.00 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.73 1frd s SER 2 Cb 0.00 -0.44 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 1frd s SER 2 CO 0.00 0.12 -0.11 -0.31 0.98 0.00 0.00 173.24 173.92 1frd s TYR 3 N -1.64 1.17 -0.13 5.02 2.02 0.60 -4.92 117.35 119.48 1frd s TYR 3 Ca 0.22 -0.67 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 1frd s TYR 3 Cb -0.08 -0.62 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 1frd s TYR 3 CO 0.12 0.04 0.37 -0.65 -1.57 0.00 0.00 175.55 173.86 1frd s GLN 4 N -3.04 4.26 -0.19 -0.62 -0.21 -1.26 -1.26 119.66 117.34 1frd s GLN 4 Ca 0.09 0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.73 1frd s GLN 4 Cb -0.02 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.61 1frd s GLN 4 CO 0.01 0.24 -0.17 0.08 -2.12 0.00 0.00 175.29 173.33 1frd s VAL 5 N 0.41 1.98 -0.19 1.09 1.01 0.20 -1.22 120.40 123.68 1frd s VAL 5 Ca 0.21 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1frd s VAL 5 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1frd s VAL 5 CO 0.07 0.41 0.31 -0.60 0.00 0.00 0.00 175.10 175.29 1frd s ARG 6 N 1.29 4.20 -0.19 2.72 3.52 0.17 -1.25 118.95 129.41 1frd s ARG 6 Ca 0.02 0.08 -0.05 0.00 -0.13 0.00 0.00 55.73 55.65 1frd s ARG 6 Cb -0.14 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1frd s ARG 6 CO -0.11 0.10 0.01 -0.51 -0.81 0.00 0.00 175.30 173.98 1frd s LEU 7 N 0.90 3.41 -0.04 -0.88 1.43 0.89 -0.03 118.68 124.36 1frd s LEU 7 Ca 0.16 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1frd s LEU 7 Cb -0.14 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1frd s LEU 7 CO 0.06 0.11 -0.16 -0.63 0.23 0.00 0.00 176.35 175.96 1frd s ILE 8 N 0.71 1.32 -0.29 -0.59 1.01 0.04 -1.73 121.20 121.66 1frd s ILE 8 Ca 0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1frd s ILE 8 Cb -0.14 -1.13 0.19 0.00 0.01 0.00 0.00 42.46 41.39 1frd s ILE 8 CO 0.02 0.38 0.81 0.21 0.00 0.00 0.00 174.94 176.36 1frd s ASN 9 N -0.01 -1.05 0.09 3.58 3.84 -0.07 -1.22 114.94 120.11 1frd s ASN 9 Ca -0.02 0.16 -0.31 0.00 0.21 0.00 0.00 52.86 52.90 1frd s ASN 9 Cb -0.10 1.68 -0.13 0.00 -0.55 0.00 0.00 41.25 42.14 1frd s ASN 9 CO 0.01 -0.19 1.62 0.50 -2.79 0.00 0.00 177.10 176.25 1frd h LYS 10 N 7.67 -0.70 -1.04 0.43 1.63 -1.95 0.39 116.57 123.00 1frd h LYS 10 Ca -0.06 0.05 0.27 0.00 -0.85 0.00 0.00 60.65 60.06 1frd h LYS 10 Cb 1.18 0.16 -0.11 0.00 -0.60 0.00 0.00 32.23 32.86 1frd h LYS 10 CO 0.04 -0.47 0.64 0.87 -3.45 0.00 0.00 179.45 177.08 1frd h LYS 11 N -0.73 0.43 -0.02 1.90 1.57 -1.97 0.92 116.57 118.68 1frd h LYS 11 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1frd h LYS 11 Cb 0.65 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1frd h LYS 11 CO -0.05 0.29 0.00 1.04 -0.57 0.00 0.00 179.45 180.15 1frd n GLN 12 N -4.78 1.70 -3.40 3.15 1.13 -1.08 -4.92 117.38 109.18 1frd n GLN 12 Ca 0.27 -1.02 -0.18 0.00 -1.94 0.00 0.00 57.00 54.14 1frd n GLN 12 Cb 0.87 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.81 1frd n GLN 12 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1frd n ASP 13 N 0.24 -4.58 -4.14 1.08 2.03 0.32 -4.98 116.55 106.52 1frd n ASP 13 Ca 0.19 -0.73 -0.26 0.00 0.52 0.00 0.00 54.79 54.51 1frd n ASP 13 Cb 0.37 -4.87 -0.16 0.00 -0.72 0.00 0.00 41.12 35.74 1frd n ASP 13 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1frd s ILE 14 N -3.42 1.40 -0.44 5.18 1.01 0.12 -4.99 121.20 120.05 1frd s ILE 14 Ca 0.28 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 60.26 1frd s ILE 14 Cb -0.05 -1.19 0.26 0.00 0.01 0.00 0.00 42.46 41.50 1frd s ILE 14 CO 0.76 0.40 1.02 -0.67 0.00 0.00 0.00 174.94 176.45 1frd n ASP 15 N 3.00 -2.41 -4.18 3.58 -0.08 -1.20 -0.89 116.55 114.36 1frd n ASP 15 Ca -0.17 -3.00 -0.17 0.00 -1.51 0.00 0.00 54.79 49.94 1frd n ASP 15 Cb 0.53 1.60 -0.12 0.00 2.34 0.00 0.00 41.12 45.47 1frd n ASP 15 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1frd s THR 16 N 0.48 1.09 -0.13 5.18 2.01 -0.71 -4.93 115.64 118.63 1frd s THR 16 Ca 0.29 -1.40 -0.05 0.00 0.31 0.00 0.00 61.69 60.83 1frd s THR 16 Cb 0.24 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1frd s THR 16 CO -0.18 -0.31 0.06 -0.89 -0.69 0.00 0.00 174.62 172.61 1frd s THR 17 N -1.57 4.79 0.14 -0.82 2.01 -1.26 -0.08 115.64 118.86 1frd s THR 17 Ca 0.00 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1frd s THR 17 Cb -0.08 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1frd s THR 17 CO 0.02 0.55 -0.15 0.27 -0.69 0.00 0.00 174.62 174.62 1frd s ILE 18 N -0.39 1.45 -0.24 1.82 -4.36 -0.38 -4.94 121.20 114.16 1frd s ILE 18 Ca 0.09 -1.83 -0.05 0.00 -0.26 0.00 0.00 60.65 58.60 1frd s ILE 18 Cb -0.12 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 1frd s ILE 18 CO 0.02 -0.44 0.00 -0.70 0.24 0.00 0.00 174.94 174.06 1frd s GLU 19 N -2.88 3.39 0.07 0.37 2.12 -1.26 -0.63 118.70 119.88 1frd s GLU 19 Ca 0.12 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1frd s GLU 19 Cb -0.04 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1frd s GLU 19 CO 0.04 -0.23 -0.10 0.96 -0.54 0.00 0.00 175.26 175.38 1frd s ILE 20 N 1.51 0.84 0.58 -3.70 -4.36 -0.39 -4.95 121.20 110.73 1frd s ILE 20 Ca 0.05 -1.41 -0.18 0.00 -0.26 0.00 0.00 60.65 58.85 1frd s ILE 20 Cb -0.15 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1frd s ILE 20 CO -0.01 -0.45 1.11 -0.62 0.24 0.00 0.00 174.94 175.21 1frd s ASP 21 N -2.06 5.55 0.14 4.36 2.15 -1.26 -0.29 116.67 125.26 1frd s ASP 21 Ca -0.01 2.08 0.19 0.00 0.43 0.00 0.00 52.55 55.24 1frd s ASP 21 Cb -0.06 -2.57 0.80 0.00 -0.30 0.00 0.00 42.92 40.79 1frd s ASP 21 CO 0.00 -1.33 1.58 -1.84 -0.17 0.00 0.00 175.17 173.41 1frd n GLU 22 N -1.71 0.10 -0.28 4.34 0.28 0.43 -1.94 120.64 121.87 1frd n GLU 22 Ca 0.11 0.36 0.10 0.00 -0.16 0.00 0.00 57.16 57.57 1frd n GLU 22 Cb 0.52 -1.71 0.27 0.00 1.43 0.00 0.00 31.44 31.95 1frd n GLU 22 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1frd n GLU 23 N -1.90 2.39 -4.17 3.44 1.02 -1.26 -4.53 120.64 115.63 1frd n GLU 23 Ca 0.02 -2.15 -0.35 0.00 -0.02 0.00 0.00 57.16 54.67 1frd n GLU 23 Cb 0.19 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1frd n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1frd s THR 24 N -1.27 4.54 0.72 2.62 2.01 -0.82 -5.10 115.64 118.34 1frd s THR 24 Ca 0.40 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 1frd s THR 24 Cb 0.21 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1frd s THR 24 CO 0.28 0.51 1.10 0.42 -0.69 0.00 0.00 174.62 176.24 1frd s THR 25 N -0.02 3.33 0.22 -0.82 -4.23 -1.26 -4.51 115.64 108.34 1frd s THR 25 Ca 0.05 0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 60.97 1frd s THR 25 Cb -0.12 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.88 1frd s THR 25 CO 0.01 -0.49 1.88 0.40 -0.54 0.00 0.00 174.62 175.89 1frd h ILE 26 N -0.62 1.17 -0.35 2.99 1.08 -0.58 -0.73 117.51 120.47 1frd h ILE 26 Ca -0.45 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 1frd h ILE 26 Cb 1.24 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1frd h ILE 26 CO 0.53 0.19 0.06 0.25 -0.69 0.00 0.00 178.15 178.49 1frd h LEU 27 N 1.05 0.56 -0.83 1.44 5.85 -1.72 -0.74 115.31 120.92 1frd h LEU 27 Ca 0.30 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1frd h LEU 27 Cb -0.07 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1frd h LEU 27 CO -0.08 0.67 0.40 0.44 -0.34 0.00 0.00 178.44 179.53 1frd h ASP 28 N 0.42 1.09 -0.31 1.25 3.32 -1.76 -0.36 116.42 120.06 1frd h ASP 28 Ca 0.11 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1frd h ASP 28 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1frd h ASP 28 CO 0.01 0.92 0.13 1.23 -1.72 0.00 0.00 179.24 179.80 1frd h GLY 29 N 1.18 0.49 1.04 2.75 0.00 -1.04 -0.52 103.07 106.97 1frd h GLY 29 Ca 0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1frd h GLY 29 CO -0.04 0.25 0.34 0.00 0.00 0.00 0.00 176.54 177.09 1frd h ALA 30 N 0.97 1.03 -0.83 3.60 0.00 -0.71 -2.65 119.26 120.67 1frd h ALA 30 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1frd h ALA 30 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1frd h ALA 30 CO -0.01 0.64 0.48 0.93 0.00 0.00 0.00 179.25 181.28 1frd h GLU 31 N 1.15 1.14 0.00 0.00 4.39 -0.67 0.16 114.58 120.73 1frd h GLU 31 Ca 0.27 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1frd h GLU 31 Cb 0.19 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1frd h GLU 31 CO -0.03 0.82 0.00 0.39 -1.16 0.00 0.00 179.01 179.03 1frd n GLU 32 N -4.42 0.06 -0.37 2.33 1.02 -0.24 -2.11 120.64 116.91 1frd n GLU 32 Ca 0.08 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1frd n GLU 32 Cb 0.08 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.25 1frd n GLU 32 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1frd n ASN 33 N -1.45 3.75 0.00 1.62 3.02 -0.30 -4.94 115.26 116.96 1frd n ASN 33 Ca 0.05 -2.26 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1frd n ASN 33 Cb 0.19 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1frd n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frd n GLY 34 N 0.76 0.56 3.43 7.41 0.00 -0.90 -5.00 105.19 111.44 1frd n GLY 34 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1frd n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1frd s ILE 35 N -2.11 5.02 -0.54 -0.61 1.01 0.39 -5.00 121.20 119.37 1frd s ILE 35 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 1frd s ILE 35 Cb 0.00 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.69 1frd s ILE 35 CO 0.00 -0.31 1.03 -0.70 0.00 0.00 0.00 174.94 174.97 1frd s GLU 36 N 1.63 3.45 0.10 2.79 2.12 -1.26 -3.40 118.70 124.14 1frd s GLU 36 Ca 0.04 0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.43 1frd s GLU 36 Cb -0.19 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 1frd s GLU 36 CO 0.09 -1.50 0.11 -0.51 -0.54 0.00 0.00 175.26 172.91 1frd s LEU 37 N 4.28 3.85 0.60 2.70 1.43 -1.26 -5.10 118.68 125.18 1frd s LEU 37 Ca 0.37 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 1frd s LEU 37 Cb -0.10 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1frd s LEU 37 CO 0.23 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 175.90 1frd s PRO 38 N -2.60 3.10 -0.11 1.29 0.04 -1.26 -5.04 135.00 130.41 1frd s PRO 38 Ca 0.30 1.44 -0.33 0.00 0.04 0.00 0.00 61.00 62.45 1frd s PRO 38 Cb -0.12 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.56 1frd s PRO 38 CO 0.23 -1.02 1.09 -0.59 0.04 0.00 0.00 177.00 176.75 1frd s PHE 39 N -2.15 -0.20 0.00 0.56 -0.71 -1.26 -3.87 117.98 110.35 1frd s PHE 39 Ca 0.68 0.11 0.00 0.00 -1.04 0.00 0.00 56.93 56.69 1frd s PHE 39 Cb -0.21 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1frd s PHE 39 CO 0.35 -0.34 0.00 0.45 -1.34 0.00 0.00 175.22 174.34 1frd n SER 40 N -0.17 0.00 0.03 1.98 2.88 -1.26 -4.94 113.62 112.15 1frd n SER 40 Ca -0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.46 1frd n SER 40 Cb 0.60 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.21 1frd n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1frd n HIS 42 N -4.02 -0.37 -0.73 0.00 -0.00 -1.26 -4.77 115.22 104.06 1frd n HIS 42 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1frd n HIS 42 Cb 0.51 -3.27 0.00 0.00 -0.12 0.00 0.00 29.99 27.11 1frd n HIS 42 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1frd n SER 43 N -1.28 0.51 0.00 0.26 7.64 -1.26 -4.94 113.62 114.55 1frd n SER 43 Ca -0.19 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.45 1frd n SER 43 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1frd n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1frd n GLY 44 N -0.12 0.66 0.78 0.23 0.00 -1.26 -4.82 105.19 100.67 1frd n GLY 44 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1frd n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1frd n SER 45 N 0.00 3.59 -3.70 1.61 3.41 -1.26 -1.28 113.62 115.99 1frd n SER 45 Ca 0.00 -2.84 -0.16 0.00 -0.26 0.00 0.00 58.87 55.61 1frd n SER 45 Cb 0.00 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 1frd n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1frd n SER 47 N -1.02 2.06 -0.25 0.00 3.41 -1.26 -4.67 113.62 111.90 1frd n SER 47 Ca 0.05 -1.53 0.05 0.00 -0.26 0.00 0.00 58.87 57.18 1frd n SER 47 Cb 0.64 0.30 0.16 0.00 -0.26 0.00 0.00 64.21 65.05 1frd n SER 47 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1frd h SER 48 N 2.73 -0.28 -0.57 4.04 0.87 -1.96 -2.68 113.55 115.71 1frd h SER 48 Ca 0.00 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1frd h SER 48 Cb 0.76 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1frd h SER 48 CO 0.00 -0.15 0.00 0.00 -0.53 0.00 0.00 176.83 176.15 1frd n VAL 50 N 1.06 2.23 -4.37 0.00 3.14 -1.01 -2.97 118.33 116.41 1frd n VAL 50 Ca 0.21 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.87 1frd n VAL 50 Cb 0.65 -1.68 -0.08 0.00 -1.06 0.00 0.00 33.84 31.68 1frd n VAL 50 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1frd s GLY 51 N -0.35 2.47 -0.08 7.55 0.00 0.16 -2.43 107.32 114.64 1frd s GLY 51 Ca 0.57 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1frd s GLY 51 CO 0.61 -1.61 -0.06 1.25 0.00 0.00 0.00 173.10 173.29 1frd s LYS 52 N -3.53 1.21 -0.40 2.90 2.20 0.17 -1.12 119.74 121.17 1frd s LYS 52 Ca 0.34 -0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.49 1frd s LYS 52 Cb 0.02 -1.27 0.02 0.00 -1.51 0.00 0.00 37.83 35.08 1frd s LYS 52 CO 0.23 -0.19 1.27 0.08 -0.36 0.00 0.00 175.35 176.38 1frd s VAL 53 N 1.45 4.11 0.04 4.02 1.01 0.17 -0.57 120.40 130.63 1frd s VAL 53 Ca -0.01 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 1frd s VAL 53 Cb -0.13 -4.35 -0.32 0.00 0.00 0.00 0.00 36.38 31.58 1frd s VAL 53 CO -0.04 -0.76 1.03 0.58 0.00 0.00 0.00 175.10 175.91 1frd h VAL 54 N 6.22 1.35 -2.22 2.92 2.07 -0.94 -3.44 116.25 122.21 1frd h VAL 54 Ca -0.25 -2.85 -0.07 0.00 0.82 0.00 0.00 66.70 64.35 1frd h VAL 54 Cb 1.08 2.98 -0.20 0.00 -1.52 0.00 0.00 31.29 33.63 1frd h VAL 54 CO 1.08 0.85 0.06 -0.70 0.02 0.00 0.00 177.57 178.88 1frd s GLU 55 N -2.62 0.87 0.00 1.57 2.12 -1.05 -4.97 118.70 114.62 1frd s GLU 55 Ca -0.07 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1frd s GLU 55 Cb 0.05 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.86 1frd s GLU 55 CO 0.91 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.83 1frd n GLY 56 N 1.73 1.38 3.47 -1.50 0.00 -1.26 -1.09 105.19 107.93 1frd n GLY 56 Ca -0.17 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 1frd n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frd s GLU 57 N -1.86 2.17 0.27 1.61 0.41 -1.26 -4.99 118.70 115.04 1frd s GLU 57 Ca 0.00 -0.93 0.02 0.00 -0.41 0.00 0.00 54.97 53.65 1frd s GLU 57 Cb 0.00 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 1frd s GLU 57 CO 0.00 0.55 0.12 0.14 -0.49 0.00 0.00 175.26 175.58 1frd s VAL 58 N -0.91 0.43 -0.14 2.63 -7.23 -1.26 -0.12 120.40 113.80 1frd s VAL 58 Ca 0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1frd s VAL 58 Cb -0.11 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1frd s VAL 58 CO 0.05 0.00 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.09 1frd s ASP 59 N -3.31 2.58 -0.14 4.85 2.15 0.11 -4.81 116.67 118.09 1frd s ASP 59 Ca 0.37 -0.45 0.21 0.00 0.43 0.00 0.00 52.55 53.11 1frd s ASP 59 Cb 0.07 -1.11 0.46 0.00 -0.30 0.00 0.00 42.92 42.03 1frd s ASP 59 CO 0.15 -0.06 1.16 0.00 -0.17 0.00 0.00 175.17 176.24 1frd n GLN 60 N 4.78 1.11 0.30 4.34 10.64 -1.26 -1.08 117.38 136.20 1frd n GLN 60 Ca -0.16 -2.86 0.19 0.00 -1.83 0.00 0.00 57.00 52.34 1frd n GLN 60 Cb 0.50 -0.94 1.01 0.00 -0.86 0.00 0.00 30.24 29.94 1frd n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1frd h SER 61 N 1.60 0.00 -0.03 2.61 4.64 -1.94 -0.64 113.55 119.79 1frd h SER 61 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1frd h SER 61 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1frd h SER 61 CO 0.17 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.60 1frd n ASP 62 N -3.43 0.42 -4.81 4.97 8.00 -1.26 -4.89 116.55 115.54 1frd n ASP 62 Ca -0.02 -1.33 -0.30 0.00 0.71 0.00 0.00 54.79 53.85 1frd n ASP 62 Cb 0.17 -0.01 0.09 0.00 -0.02 0.00 0.00 41.12 41.34 1frd n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frd s GLN 63 N -1.97 2.09 0.00 -1.24 1.03 -0.25 -4.80 119.66 114.52 1frd s GLN 63 Ca 0.37 0.59 0.00 0.00 0.04 0.00 0.00 55.36 56.36 1frd s GLN 63 Cb 0.18 -1.92 0.00 0.00 0.03 0.00 0.00 33.01 31.29 1frd s GLN 63 CO 0.29 -1.61 0.00 -0.89 -2.54 0.00 0.00 175.29 170.54 1frd n ILE 64 N -3.41 0.00 0.09 3.63 5.41 -0.40 -4.94 119.36 119.73 1frd n ILE 64 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.69 1frd n ILE 64 Cb 0.57 -0.20 -0.07 0.00 -0.71 0.00 0.00 39.64 39.22 1frd n ILE 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1frd h PHE 65 N 0.00 -0.12 -4.09 1.39 3.57 -1.60 -3.45 116.94 112.63 1frd h PHE 65 Ca 0.00 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 61.01 1frd h PHE 65 Cb 0.25 0.04 0.05 0.00 2.79 0.00 0.00 35.95 39.08 1frd h PHE 65 CO 0.00 -0.07 0.40 -0.51 -2.23 0.00 0.00 178.31 175.90 1frd s LEU 66 N -10.17 3.76 0.45 0.59 1.43 -1.26 -5.05 118.68 108.43 1frd s LEU 66 Ca -0.14 2.02 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 1frd s LEU 66 Cb 0.06 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.73 1frd s LEU 66 CO 0.65 -1.01 0.60 1.51 0.23 0.00 0.00 176.35 178.33 1frd s ASP 67 N -1.99 5.53 0.21 2.29 1.47 -1.26 -4.94 116.67 117.99 1frd s ASP 67 Ca 0.69 -0.52 -0.09 0.00 1.18 0.00 0.00 52.55 53.82 1frd s ASP 67 Cb -0.19 -0.48 0.30 0.00 -0.34 0.00 0.00 42.92 42.21 1frd s ASP 67 CO 0.25 -0.86 1.75 0.44 0.68 0.00 0.00 175.17 177.43 1frd h ASP 68 N 0.58 0.27 -0.47 2.11 3.32 -1.98 -0.70 116.42 119.54 1frd h ASP 68 Ca -0.38 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1frd h ASP 68 Cb 1.28 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 1frd h ASP 68 CO 0.45 0.15 0.24 -0.08 -1.72 0.00 0.00 179.24 178.29 1frd h GLU 69 N 0.44 0.67 -0.56 3.56 4.81 -1.98 0.64 114.58 122.16 1frd h GLU 69 Ca 0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1frd h GLU 69 Cb 0.40 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1frd h GLU 69 CO -0.31 0.54 0.35 1.96 -0.73 0.00 0.00 179.01 180.83 1frd h GLN 70 N 0.62 0.74 -0.51 1.92 4.20 -1.76 -2.02 115.11 118.30 1frd h GLN 70 Ca 0.16 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1frd h GLN 70 Cb 0.08 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1frd h GLN 70 CO -0.02 0.51 0.13 0.52 -0.67 0.00 0.00 178.83 179.30 1frd h MET 71 N 0.75 0.77 -0.37 1.46 2.86 -0.97 -1.99 114.93 117.44 1frd h MET 71 Ca 0.20 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1frd h MET 71 Cb -0.05 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1frd h MET 71 CO -0.04 0.69 0.07 0.78 1.06 0.00 0.00 176.91 179.47 1frd h GLY 72 N 0.93 0.58 0.87 8.32 0.00 -0.19 -0.24 103.07 113.34 1frd h GLY 72 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1frd h GLY 72 CO -0.00 0.29 0.00 0.28 0.00 0.00 0.00 176.54 177.11 1frd n LYS 73 N -4.33 1.01 -0.02 4.80 5.02 -0.81 -4.88 118.16 118.96 1frd n LYS 73 Ca 0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1frd n LYS 73 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1frd n LYS 73 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1frd n GLY 74 N 0.95 0.58 3.77 0.72 0.00 -0.10 -4.84 105.19 106.28 1frd n GLY 74 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1frd n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1frd s PHE 75 N -2.03 3.05 -0.10 1.61 0.08 -0.85 0.42 117.98 120.16 1frd s PHE 75 Ca 0.00 1.57 -0.10 0.00 0.12 0.00 0.00 56.93 58.52 1frd s PHE 75 Cb 0.00 -3.33 0.03 0.00 -0.57 0.00 0.00 43.02 39.15 1frd s PHE 75 CO 0.00 -1.23 0.28 0.00 -0.10 0.00 0.00 175.22 174.17 1frd s ALA 76 N -1.51 -0.70 -0.61 5.36 0.00 -0.27 -4.38 121.76 119.65 1frd s ALA 76 Ca 0.59 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 53.11 1frd s ALA 76 Cb -0.28 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.45 1frd s ALA 76 CO 0.35 -0.14 0.92 -0.51 0.00 0.00 0.00 175.76 176.38 1frd s LEU 77 N 0.10 4.37 0.60 0.00 1.43 -1.26 -0.66 118.68 123.26 1frd s LEU 77 Ca -0.00 -0.80 0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1frd s LEU 77 Cb -0.02 -2.54 1.61 0.00 0.03 0.00 0.00 46.19 45.27 1frd s LEU 77 CO 0.00 -1.32 2.02 -0.07 0.23 0.00 0.00 176.35 177.21 1frd h LEU 78 N 11.07 0.00 -0.52 1.79 3.38 -1.88 -1.55 115.31 127.60 1frd h LEU 78 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1frd h LEU 78 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1frd h LEU 78 CO 1.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.66 1frd n VAL 80 N -2.15 0.92 -4.65 0.00 0.24 -0.61 -4.88 118.33 107.21 1frd n VAL 80 Ca 0.03 -1.34 -0.33 0.00 -2.04 0.00 0.00 64.34 60.65 1frd n VAL 80 Cb 0.25 0.23 -0.13 0.00 -1.47 0.00 0.00 33.84 32.73 1frd n VAL 80 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1frd s THR 81 N -1.39 3.45 -0.03 3.34 2.01 -1.08 -4.34 115.64 117.60 1frd s THR 81 Ca 0.21 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1frd s THR 81 Cb 0.20 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1frd s THR 81 CO -0.03 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.91 1frd s TYR 82 N -0.04 2.45 0.32 4.92 1.51 -0.24 -0.18 117.35 126.09 1frd s TYR 82 Ca -0.01 -0.35 -0.28 0.00 -1.01 0.00 0.00 57.07 55.43 1frd s TYR 82 Cb -0.14 -1.54 -0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1frd s TYR 82 CO 0.03 0.04 1.09 -1.25 -1.11 0.00 0.00 175.55 174.35 1frd s PRO 83 N -0.65 4.47 0.00 -1.71 0.04 -1.26 0.06 135.00 135.94 1frd s PRO 83 Ca 0.10 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1frd s PRO 83 Cb -0.10 -2.98 0.03 0.00 0.04 0.00 0.00 34.50 31.49 1frd s PRO 83 CO -0.01 0.07 0.61 0.54 0.04 0.00 0.00 177.00 178.26 1frd n ARG 84 N 0.77 -0.51 -3.85 4.56 5.12 0.82 -4.77 116.66 118.80 1frd n ARG 84 Ca 0.01 -0.71 -0.03 0.00 -1.93 0.00 0.00 57.85 55.19 1frd n ARG 84 Cb 0.46 -1.07 0.01 0.00 -1.16 0.00 0.00 32.46 30.71 1frd n ARG 84 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1frd s SER 85 N -0.29 -0.03 0.52 0.55 1.04 -1.12 -4.86 113.70 109.52 1frd s SER 85 Ca 0.04 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.63 1frd s SER 85 Cb 0.03 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1frd s SER 85 CO 0.04 -0.99 1.19 0.20 0.98 0.00 0.00 173.24 174.67 1frd s ASN 86 N -3.29 5.69 0.21 7.02 0.01 -1.26 -4.70 114.94 118.62 1frd s ASN 86 Ca 0.19 2.36 -0.13 0.00 -0.71 0.00 0.00 52.86 54.58 1frd s ASN 86 Cb -0.02 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1frd s ASN 86 CO 0.05 -1.25 0.43 0.00 -1.51 0.00 0.00 177.10 174.82 1frd s THR 88 N -3.97 1.41 -0.03 0.00 2.01 -0.25 0.44 115.64 115.26 1frd s THR 88 Ca 0.17 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1frd s THR 88 Cb 0.01 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1frd s THR 88 CO 0.03 0.42 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 1frd s ILE 89 N 0.69 0.56 -0.08 1.82 1.01 0.95 -0.25 121.20 125.89 1frd s ILE 89 Ca -0.13 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 1frd s ILE 89 Cb -0.16 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 1frd s ILE 89 CO 0.03 0.20 0.48 -0.54 0.00 0.00 0.00 174.94 175.11 1frd s LYS 90 N 0.42 4.27 0.59 2.79 1.02 0.26 -0.78 119.74 128.31 1frd s LYS 90 Ca -0.06 0.48 0.03 0.00 0.02 0.00 0.00 55.97 56.44 1frd s LYS 90 Cb -0.09 -3.39 0.07 0.00 -0.52 0.00 0.00 37.83 33.90 1frd s LYS 90 CO 0.00 0.28 0.82 0.95 -0.92 0.00 0.00 175.35 176.48 1frd s THR 91 N 0.21 2.47 -1.47 2.17 -4.23 -0.36 -0.66 115.64 113.78 1frd s THR 91 Ca 0.26 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1frd s THR 91 Cb -0.16 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.00 1frd s THR 91 CO 0.12 0.00 0.74 1.41 -0.54 0.00 0.00 174.62 176.35 1frd n HIS 92 N -2.41 -1.96 0.85 3.99 8.25 -1.23 -4.85 115.22 117.85 1frd n HIS 92 Ca 0.11 0.84 0.09 0.00 -0.26 0.00 0.00 57.72 58.50 1frd n HIS 92 Cb 0.60 -3.88 0.28 0.00 1.12 0.00 0.00 29.99 28.11 1frd n HIS 92 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1frd n GLN 93 N -4.46 1.96 -0.22 -0.41 1.13 -1.02 -4.56 117.38 109.79 1frd n GLN 93 Ca -0.13 -1.46 0.02 0.00 -1.94 0.00 0.00 57.00 53.50 1frd n GLN 93 Cb 0.60 -1.39 0.12 0.00 0.11 0.00 0.00 30.24 29.68 1frd n GLN 93 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1frd h GLU 94 N 2.67 0.12 0.00 -1.09 4.81 -1.82 -1.69 114.58 117.59 1frd h GLU 94 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1frd h GLU 94 Cb 0.60 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1frd h GLU 94 CO 0.00 0.08 -0.04 -1.35 -0.73 0.00 0.00 179.01 176.97 1frd h PRO 95 N 0.13 0.00 -0.00 0.92 0.11 -1.95 -1.80 132.00 129.40 1frd h PRO 95 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1frd h PRO 95 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1frd h PRO 95 CO -0.57 0.04 -0.31 0.66 -0.21 0.00 0.00 178.00 177.62 1frd n TYR 96 N -4.13 0.00 -2.35 0.65 4.01 -0.70 -4.79 117.16 109.86 1frd n TYR 96 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1frd n TYR 96 Cb 0.13 -0.18 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1frd n TYR 96 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1frd s LEU 97 N -2.66 3.46 0.00 7.72 0.20 -0.68 -5.14 118.68 121.59 1frd s LEU 97 Ca 0.21 0.50 0.23 0.00 0.69 0.00 0.00 54.13 55.76 1frd s LEU 97 Cb 0.19 -3.20 1.40 0.00 -0.43 0.00 0.00 46.19 44.15 1frd s LEU 97 CO 0.57 -1.66 1.77 0.00 -0.29 0.00 0.00 176.35 176.74