#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr s VAL 10 N 0.00 3.77 0.08 1.12 1.01 -1.26 -4.97 120.40 120.14 1syr s VAL 10 Ca 0.00 -1.04 -0.36 0.00 0.00 0.00 0.00 61.98 60.58 1syr s VAL 10 Cb 0.00 -3.09 -0.16 0.00 0.00 0.00 0.00 36.38 33.14 1syr s VAL 10 CO 0.00 -0.11 1.46 1.17 0.00 0.00 0.00 175.10 177.62 1syr n LYS 11 N 4.81 1.48 -3.25 2.72 4.81 -1.24 -4.71 118.16 122.79 1syr n LYS 11 Ca -0.13 0.54 -0.39 0.00 -0.87 0.00 0.00 58.31 57.45 1syr n LYS 11 Cb 0.45 -2.23 -0.07 0.00 0.02 0.00 0.00 35.03 33.21 1syr n LYS 11 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1syr s ILE 12 N 0.95 5.11 -0.03 3.15 1.01 -1.26 -0.46 121.20 129.67 1syr s ILE 12 Ca 0.84 0.95 -0.19 0.00 0.00 0.00 0.00 60.65 62.25 1syr s ILE 12 Cb -0.87 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 1syr s ILE 12 CO 0.46 0.18 0.55 -0.69 0.00 0.00 0.00 174.94 175.44 1syr s VAL 13 N 1.62 4.99 -0.59 2.92 1.01 0.05 -4.95 120.40 125.45 1syr s VAL 13 Ca 0.24 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1syr s VAL 13 Cb -0.15 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1syr s VAL 13 CO 0.10 0.41 0.65 0.35 0.00 0.00 0.00 175.10 176.60 1syr n THR 14 N 2.90 0.00 -3.82 3.92 -2.24 -1.26 -4.50 114.28 109.28 1syr n THR 14 Ca -0.07 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 1syr n THR 14 Cb 0.51 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 1syr n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 15 N -0.40 -0.03 0.19 3.42 1.04 -1.26 -4.82 113.70 111.84 1syr s SER 15 Ca 0.05 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 1syr s SER 15 Cb 0.04 0.30 0.11 0.00 0.10 0.00 0.00 66.02 66.57 1syr s SER 15 CO 0.06 -0.54 1.73 -0.61 0.98 0.00 0.00 173.24 174.86 1syr h GLN 16 N 3.53 1.09 -0.66 4.02 4.15 -1.95 -1.00 115.11 124.28 1syr h GLN 16 Ca -0.32 -0.24 0.07 0.00 0.77 0.00 0.00 58.65 58.94 1syr h GLN 16 Cb 1.19 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.67 1syr h GLN 16 CO 0.46 0.94 0.35 0.00 -1.93 0.00 0.00 178.83 178.65 1syr h ALA 17 N 1.10 0.89 -0.35 3.38 0.00 -1.99 0.28 119.26 122.57 1syr h ALA 17 Ca 0.22 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1syr h ALA 17 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1syr h ALA 17 CO -0.01 -0.00 -0.14 1.49 0.00 0.00 0.00 179.25 180.59 1syr h GLU 18 N 0.63 0.72 -0.22 0.00 4.81 -1.93 -0.53 114.58 118.06 1syr h GLU 18 Ca 0.31 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1syr h GLU 18 Cb 0.24 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1syr h GLU 18 CO -0.21 0.90 -0.23 0.35 -0.73 0.00 0.00 179.01 179.09 1syr h PHE 19 N 0.50 -0.60 -0.70 0.92 3.57 -0.64 -1.29 116.94 118.70 1syr h PHE 19 Ca 0.08 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1syr h PHE 19 Cb 0.66 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1syr h PHE 19 CO 0.06 -0.31 0.45 -0.44 -2.23 0.00 0.00 178.31 175.84 1syr h ASP 20 N -0.25 0.76 0.28 0.41 3.32 -0.27 -2.03 116.42 118.64 1syr h ASP 20 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1syr h ASP 20 Cb 0.44 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1syr h ASP 20 CO -0.36 0.54 -0.13 -1.28 -1.72 0.00 0.00 179.24 176.29 1syr h SER 21 N 0.90 -0.32 -0.03 6.45 0.87 -0.68 -2.13 113.55 118.62 1syr h SER 21 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1syr h SER 21 Cb -0.05 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1syr h SER 21 CO -0.08 -0.22 0.02 0.40 -0.53 0.00 0.00 176.83 176.43 1syr h ILE 22 N -0.39 1.02 -0.72 2.23 2.04 -1.10 0.20 117.51 120.79 1syr h ILE 22 Ca -0.04 -0.05 0.19 0.00 1.00 0.00 0.00 64.86 65.96 1syr h ILE 22 Cb 0.30 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1syr h ILE 22 CO 0.06 0.02 0.50 0.40 0.00 0.00 0.00 178.15 179.13 1syr h ILE 23 N 0.03 0.69 0.00 -0.67 5.03 -1.26 -2.40 117.51 118.94 1syr h ILE 23 Ca 0.01 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1syr h ILE 23 Cb 0.01 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1syr h ILE 23 CO -0.00 0.03 -1.33 -1.54 -0.68 0.00 0.00 178.15 174.62 1syr n SER 24 N -4.39 0.76 -1.09 1.72 3.41 -0.81 -3.63 113.62 109.59 1syr n SER 24 Ca 0.14 -0.51 0.11 0.00 -0.26 0.00 0.00 58.87 58.35 1syr n SER 24 Cb 0.70 1.40 0.25 0.00 -0.26 0.00 0.00 64.21 66.29 1syr n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1syr n GLN 25 N -1.77 2.41 -3.87 4.33 6.02 0.66 -4.95 117.38 120.22 1syr n GLN 25 Ca 0.00 -2.15 -0.12 0.00 -0.01 0.00 0.00 57.00 54.72 1syr n GLN 25 Cb 0.38 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.00 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1syr s ASN 26 N -1.41 0.02 -0.01 1.08 0.01 -0.99 -5.04 114.94 108.60 1syr s ASN 26 Ca 0.39 0.00 -0.25 0.00 -0.71 0.00 0.00 52.86 52.29 1syr s ASN 26 Cb 0.22 -0.01 -0.20 0.00 0.41 0.00 0.00 41.25 41.68 1syr s ASN 26 CO 0.31 -0.01 1.30 -0.33 -1.51 0.00 0.00 177.10 176.85 1syr h GLU 27 N 6.28 -0.03 -4.85 -0.60 5.08 -1.89 -3.41 114.58 115.17 1syr h GLU 27 Ca -0.27 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.47 1syr h GLU 27 Cb 1.20 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.10 1syr h GLU 27 CO 0.51 0.40 -0.85 -0.51 -1.00 0.00 0.00 179.01 177.56 1syr s LEU 28 N -9.33 1.87 -0.07 1.33 1.43 -1.26 -1.29 118.68 111.36 1syr s LEU 28 Ca -0.15 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1syr s LEU 28 Cb 0.02 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1syr s LEU 28 CO 0.66 -0.02 -0.13 -0.69 0.23 0.00 0.00 176.35 176.40 1syr s VAL 29 N 1.33 1.18 -0.10 -1.59 1.01 -0.58 -1.87 120.40 119.78 1syr s VAL 29 Ca 0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1syr s VAL 29 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1syr s VAL 29 CO -0.10 0.37 0.06 -0.51 0.00 0.00 0.00 175.10 174.91 1syr s ILE 30 N 0.72 4.80 -0.04 2.22 2.07 -0.60 0.77 121.20 131.13 1syr s ILE 30 Ca -0.13 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1syr s ILE 30 Cb -0.16 -3.05 -0.00 0.00 0.13 0.00 0.00 42.46 39.38 1syr s ILE 30 CO 0.03 0.61 -0.17 0.54 -1.91 0.00 0.00 174.94 174.04 1syr s VAL 31 N -0.93 1.45 -0.44 4.00 0.11 0.25 -1.49 120.40 123.34 1syr s VAL 31 Ca 0.14 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.34 1syr s VAL 31 Cb -0.12 -1.24 0.08 0.00 -1.53 0.00 0.00 36.38 33.57 1syr s VAL 31 CO 0.03 0.42 0.32 -0.62 -3.33 0.00 0.00 175.10 171.92 1syr s ASP 32 N 0.03 5.85 -0.70 3.54 2.15 -0.04 -1.86 116.67 125.63 1syr s ASP 32 Ca -0.04 -1.45 -0.26 0.00 0.43 0.00 0.00 52.55 51.23 1syr s ASP 32 Cb -0.11 -2.07 0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1syr s ASP 32 CO 0.02 -0.59 1.20 -0.36 -0.17 0.00 0.00 175.17 175.27 1syr s PHE 33 N 1.51 2.41 0.52 -5.34 0.08 0.31 -0.90 117.98 116.56 1syr s PHE 33 Ca 0.03 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1syr s PHE 33 Cb -0.24 -4.53 -0.00 0.00 -0.57 0.00 0.00 43.02 37.68 1syr s PHE 33 CO 0.04 -1.92 0.09 -0.59 -0.10 0.00 0.00 175.22 172.74 1syr s PHE 34 N 5.28 1.81 0.02 0.36 -0.71 -0.19 -2.70 117.98 121.85 1syr s PHE 34 Ca 0.33 -0.93 -0.27 0.00 -1.04 0.00 0.00 56.93 55.02 1syr s PHE 34 Cb -0.10 -1.68 0.07 0.00 -1.21 0.00 0.00 43.02 40.10 1syr s PHE 34 CO 0.15 0.07 0.63 0.00 -1.34 0.00 0.00 175.22 174.74 1syr s ALA 35 N -2.86 -1.65 -0.81 1.99 0.00 -1.26 -0.81 121.76 116.37 1syr s ALA 35 Ca 0.12 0.98 0.21 0.00 0.00 0.00 0.00 51.96 53.26 1syr s ALA 35 Cb 0.01 0.30 0.86 0.00 0.00 0.00 0.00 23.12 24.29 1syr s ALA 35 CO 0.07 -0.50 1.66 0.39 0.00 0.00 0.00 175.76 177.38 1syr n GLU 36 N 0.49 0.09 0.00 0.00 -0.58 -1.26 -1.94 120.64 117.44 1syr n GLU 36 Ca -0.18 0.25 0.13 0.00 -0.42 0.00 0.00 57.16 56.94 1syr n GLU 36 Cb 0.60 -1.65 0.39 0.00 -0.57 0.00 0.00 31.44 30.20 1syr n GLU 36 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1syr n TRP 37 N -1.82 0.00 -3.55 -0.32 4.27 -1.26 -4.80 117.44 109.97 1syr n TRP 37 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 1syr n TRP 37 Cb 0.25 -0.06 -0.09 0.00 -1.36 0.00 0.00 31.31 30.06 1syr n TRP 37 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1syr h GLY 39 N 8.48 -0.18 -0.03 0.00 0.00 -1.87 -2.25 103.07 107.23 1syr h GLY 39 Ca -0.23 0.37 0.18 0.00 0.00 0.00 0.00 47.33 47.65 1syr h GLY 39 CO 0.83 -0.21 0.33 -2.55 0.00 0.00 0.00 176.54 174.95 1syr h PRO 40 N -0.24 0.40 -0.92 4.80 0.11 -1.94 -1.82 132.00 132.40 1syr h PRO 40 Ca 0.17 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.27 1syr h PRO 40 Cb 0.51 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 1syr h PRO 40 CO -0.50 0.27 0.61 0.00 -0.21 0.00 0.00 178.00 178.16 1syr h LYS 42 N 1.23 0.44 -0.52 0.00 1.57 -1.13 -2.73 116.57 115.43 1syr h LYS 42 Ca 0.34 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1syr h LYS 42 Cb -0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1syr h LYS 42 CO -0.08 0.71 -0.06 0.00 -0.57 0.00 0.00 179.45 179.45 1syr h ARG 43 N 0.38 0.96 0.00 3.15 3.08 -0.73 -3.21 114.38 118.02 1syr h ARG 43 Ca 0.05 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1syr h ARG 43 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1syr h ARG 43 CO 0.06 1.00 -0.37 1.51 -1.07 0.00 0.00 179.97 181.10 1syr n ILE 44 N -4.23 0.05 -0.13 2.04 3.06 -0.95 -4.23 119.36 114.97 1syr n ILE 44 Ca 0.01 -0.03 -0.06 0.00 -2.50 0.00 0.00 62.75 60.17 1syr n ILE 44 Cb 0.37 -0.01 0.01 0.00 0.54 0.00 0.00 39.64 40.54 1syr n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1syr h ALA 45 N 2.94 0.03 -0.59 1.51 0.00 -1.48 -2.18 119.26 119.49 1syr h ALA 45 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1syr h ALA 45 Cb 0.53 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1syr h ALA 45 CO 0.00 -0.60 0.35 -1.35 0.00 0.00 0.00 179.25 177.64 1syr h PRO 46 N -0.16 0.79 -0.35 0.00 0.11 -1.79 -0.59 132.00 130.00 1syr h PRO 46 Ca 0.20 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 1syr h PRO 46 Cb 0.47 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1syr h PRO 46 CO -0.52 0.56 0.04 0.35 -0.21 0.00 0.00 178.00 178.22 1syr h PHE 47 N 0.81 0.64 -0.65 0.65 3.57 -1.73 -1.25 116.94 118.97 1syr h PHE 47 Ca 0.21 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1syr h PHE 47 Cb -0.02 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1syr h PHE 47 CO 0.00 0.67 0.42 -0.92 -2.23 0.00 0.00 178.31 176.25 1syr h TYR 48 N 0.42 0.80 -0.59 0.41 3.20 -0.86 0.96 116.97 121.31 1syr h TYR 48 Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1syr h TYR 48 Cb 0.38 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1syr h TYR 48 CO 0.03 0.49 0.11 1.49 -1.64 0.00 0.00 178.16 178.63 1syr h GLU 49 N 0.85 0.98 0.11 1.82 4.57 -0.99 -1.87 114.58 120.04 1syr h GLU 49 Ca 0.25 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1syr h GLU 49 Cb -0.06 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1syr h GLU 49 CO -0.07 0.92 -0.05 1.49 -1.18 0.00 0.00 179.01 180.12 1syr h GLU 50 N 0.88 -0.14 -0.83 1.92 4.57 -0.88 -2.81 114.58 117.30 1syr h GLU 50 Ca 0.18 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.48 1syr h GLU 50 Cb 0.41 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 1syr h GLU 50 CO 0.01 -0.06 0.54 0.00 -1.18 0.00 0.00 179.01 178.32 1syr h SER 52 N 0.75 0.16 -0.30 0.00 4.64 -1.08 -0.36 113.55 117.36 1syr h SER 52 Ca 0.39 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 1syr h SER 52 Cb 0.49 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1syr h SER 52 CO -0.16 0.20 -0.14 0.11 -0.87 0.00 0.00 176.83 175.97 1syr h LYS 53 N 0.18 0.74 0.00 4.77 1.57 -0.99 -3.38 116.57 119.47 1syr h LYS 53 Ca 0.05 -0.26 -0.41 0.00 -1.87 0.00 0.00 60.65 58.15 1syr h LYS 53 Cb 0.13 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1syr h LYS 53 CO 0.00 0.85 -2.30 -2.37 -0.57 0.00 0.00 179.45 175.06 1syr n THR 54 N -4.15 1.53 -1.61 -0.16 5.66 -0.84 -4.60 114.28 110.11 1syr n THR 54 Ca 0.01 -0.35 -0.41 0.00 -3.05 0.00 0.00 64.05 60.24 1syr n THR 54 Cb 0.38 -1.85 -0.01 0.00 -1.55 0.00 0.00 70.33 67.30 1syr n THR 54 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1syr n TYR 55 N -4.14 3.21 0.35 1.09 4.01 -0.20 -4.74 117.16 116.74 1syr n TYR 55 Ca -0.49 -2.87 0.14 0.00 -0.16 0.00 0.00 57.90 54.52 1syr n TYR 55 Cb 0.87 -2.46 0.55 0.00 -0.31 0.00 0.00 39.34 37.99 1syr n TYR 55 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1syr h THR 56 N 3.91 0.00 0.00 -0.72 1.03 -1.81 -2.98 112.91 112.33 1syr h THR 56 Ca 0.59 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 66.56 1syr h THR 56 Cb 0.59 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 1syr h THR 56 CO 1.88 0.00 0.02 0.29 -0.01 0.00 0.00 175.52 177.70 1syr n LYS 57 N -2.69 0.11 -4.37 0.00 5.02 -1.26 -4.67 118.16 110.30 1syr n LYS 57 Ca 0.02 0.61 -0.19 0.00 -2.02 0.00 0.00 58.31 56.73 1syr n LYS 57 Cb 0.30 -1.89 -0.15 0.00 -0.02 0.00 0.00 35.03 33.27 1syr n LYS 57 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1syr s MET 58 N -3.44 0.80 -0.20 1.97 1.75 -1.13 -4.70 119.30 114.36 1syr s MET 58 Ca -0.02 -0.31 -0.22 0.00 -1.25 0.00 0.00 55.69 53.89 1syr s MET 58 Cb 0.05 -0.77 -0.02 0.00 2.84 0.00 0.00 34.83 36.93 1syr s MET 58 CO 0.16 0.16 0.67 0.08 -0.65 0.00 0.00 175.02 175.44 1syr s VAL 59 N -0.06 4.99 -0.24 10.11 1.01 -0.78 -4.95 120.40 130.48 1syr s VAL 59 Ca 0.01 1.26 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 1syr s VAL 59 Cb -0.05 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1syr s VAL 59 CO -0.00 0.08 0.26 -0.36 0.00 0.00 0.00 175.10 175.08 1syr s PHE 60 N 2.05 3.31 0.13 5.22 0.40 -1.26 -1.56 117.98 126.26 1syr s PHE 60 Ca 0.30 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 57.06 1syr s PHE 60 Cb -0.16 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 1syr s PHE 60 CO 0.10 -0.02 -0.18 0.96 0.70 0.00 0.00 175.22 176.79 1syr s ILE 61 N 1.35 1.60 -0.01 0.64 -4.36 -0.56 -3.65 121.20 116.21 1syr s ILE 61 Ca 0.12 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 1syr s ILE 61 Cb -0.14 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 1syr s ILE 61 CO 0.07 -0.26 -0.09 -0.54 0.24 0.00 0.00 174.94 174.36 1syr s LYS 62 N -2.41 2.50 -0.07 0.37 1.02 0.40 -0.86 119.74 120.68 1syr s LYS 62 Ca 0.10 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1syr s LYS 62 Cb -0.07 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 1syr s LYS 62 CO 0.05 0.60 -0.10 0.08 -0.92 0.00 0.00 175.35 175.06 1syr s VAL 63 N -0.93 1.00 -0.33 3.17 1.01 -0.08 -0.77 120.40 123.48 1syr s VAL 63 Ca 0.15 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1syr s VAL 63 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1syr s VAL 63 CO 0.05 0.33 0.91 -0.62 0.00 0.00 0.00 175.10 175.78 1syr s ASP 64 N 0.94 6.74 0.49 3.32 -1.08 -1.26 -1.02 116.67 124.81 1syr s ASP 64 Ca -0.10 0.75 0.20 0.00 -0.52 0.00 0.00 52.55 52.88 1syr s ASP 64 Cb -0.15 -2.46 1.25 0.00 -1.46 0.00 0.00 42.92 40.10 1syr s ASP 64 CO 0.00 -0.76 2.01 -0.37 0.52 0.00 0.00 175.17 176.57 1syr h VAL 65 N 5.70 0.82 0.07 1.11 -1.51 -1.31 -0.25 116.25 120.88 1syr h VAL 65 Ca -0.23 -0.05 -0.30 0.00 -1.23 0.00 0.00 66.70 64.89 1syr h VAL 65 Cb 1.08 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 30.88 1syr h VAL 65 CO 0.96 0.03 -1.62 0.44 -1.23 0.00 0.00 177.57 176.14 1syr h ASP 66 N 0.15 0.22 -0.56 4.19 3.32 -1.92 -2.79 116.42 119.03 1syr h ASP 66 Ca 0.23 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1syr h ASP 66 Cb 0.72 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1syr h ASP 66 CO -0.03 1.33 0.20 -0.08 -1.72 0.00 0.00 179.24 178.93 1syr h GLU 67 N 0.04 0.91 -1.90 3.56 4.81 -1.48 -3.19 114.58 117.33 1syr h GLU 67 Ca -0.27 -0.17 -0.58 0.00 -0.13 0.00 0.00 59.36 58.21 1syr h GLU 67 Cb 1.99 -0.15 -0.42 0.00 0.63 0.00 0.00 28.75 30.81 1syr h GLU 67 CO 0.12 0.77 -0.71 0.28 -0.73 0.00 0.00 179.01 178.75 1syr n VAL 68 N -4.29 2.64 -0.27 0.32 0.31 -0.57 -4.89 118.33 111.57 1syr n VAL 68 Ca 0.05 -5.21 0.10 0.00 -0.01 0.00 0.00 64.34 59.27 1syr n VAL 68 Cb 0.20 -1.27 0.21 0.00 -0.91 0.00 0.00 33.84 32.07 1syr n VAL 68 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1syr n SER 69 N -0.34 -0.12 -0.27 4.52 7.64 -1.05 -1.08 113.62 122.92 1syr n SER 69 Ca 0.34 1.32 -0.03 0.00 1.01 0.00 0.00 58.87 61.51 1syr n SER 69 Cb 0.53 -0.47 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 1syr n SER 69 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1syr h GLU 70 N 0.00 1.13 -0.04 1.43 3.07 -1.90 -0.70 114.58 117.57 1syr h GLU 70 Ca 0.45 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 1syr h GLU 70 Cb 0.90 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1syr h GLU 70 CO -0.74 0.86 -0.10 0.28 -1.40 0.00 0.00 179.01 177.91 1syr h VAL 71 N 1.12 1.45 -0.84 3.13 2.07 -1.48 -2.63 116.25 119.08 1syr h VAL 71 Ca 0.28 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1syr h VAL 71 Cb 0.09 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1syr h VAL 71 CO -0.04 0.40 0.55 0.71 0.02 0.00 0.00 177.57 179.22 1syr h THR 72 N -0.42 1.18 -0.57 2.57 1.35 -0.96 0.19 112.91 116.25 1syr h THR 72 Ca -0.00 -0.38 -0.11 0.00 -0.55 0.00 0.00 66.41 65.37 1syr h THR 72 Cb 0.70 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 1syr h THR 72 CO 0.02 0.20 -0.07 -0.33 -0.25 0.00 0.00 175.52 175.10 1syr h GLU 73 N 1.10 1.06 -0.31 4.72 4.39 -1.20 -2.12 114.58 122.21 1syr h GLU 73 Ca 0.32 -0.37 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 1syr h GLU 73 Cb -0.07 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1syr h GLU 73 CO -0.08 1.07 -0.49 0.87 -1.16 0.00 0.00 179.01 179.22 1syr h LYS 74 N 0.95 0.87 -0.01 2.33 1.57 -0.89 -2.96 116.57 118.43 1syr h LYS 74 Ca 0.15 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1syr h LYS 74 Cb 0.64 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1syr h LYS 74 CO 0.04 1.16 0.00 0.39 -0.57 0.00 0.00 179.45 180.47 1syr n GLU 75 N -4.02 1.07 -3.53 3.15 -0.58 0.55 -4.94 120.64 112.34 1syr n GLU 75 Ca -0.03 -0.11 -0.22 0.00 -0.42 0.00 0.00 57.16 56.38 1syr n GLU 75 Cb 0.60 -1.43 0.03 0.00 -0.57 0.00 0.00 31.44 30.06 1syr n GLU 75 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1syr n ASN 76 N -0.81 -5.90 -4.57 1.62 5.15 -0.83 -4.95 115.26 104.98 1syr n ASN 76 Ca 0.20 -0.77 -0.40 0.00 -0.60 0.00 0.00 54.58 53.01 1syr n ASN 76 Cb 0.12 -3.60 -0.09 0.00 -0.53 0.00 0.00 39.78 35.68 1syr n ASN 76 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1syr s ILE 77 N -3.26 5.18 -0.21 -1.44 -1.09 -1.02 -4.96 121.20 114.41 1syr s ILE 77 Ca 0.27 0.23 -0.10 0.00 -2.23 0.00 0.00 60.65 58.82 1syr s ILE 77 Cb -0.09 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 36.94 1syr s ILE 77 CO 0.84 0.02 -0.27 0.35 -1.23 0.00 0.00 174.94 174.65 1syr n THR 78 N 5.19 1.15 -3.48 2.92 -2.24 -1.26 -4.96 114.28 111.60 1syr n THR 78 Ca -0.09 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 1syr n THR 78 Cb 0.50 -1.75 -0.01 0.00 -2.10 0.00 0.00 70.33 66.98 1syr n THR 78 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1syr s SER 79 N -6.83 5.95 -0.06 3.42 0.15 -1.26 -5.12 113.70 109.95 1syr s SER 79 Ca -0.29 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 1syr s SER 79 Cb 0.11 -1.22 0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1syr s SER 79 CO 0.38 -0.43 0.01 -0.32 1.20 0.00 0.00 173.24 174.08 1syr s MET 80 N -4.17 0.50 0.66 5.44 1.75 -1.26 -3.72 119.30 118.50 1syr s MET 80 Ca 0.45 0.14 -0.06 0.00 -1.25 0.00 0.00 55.69 54.97 1syr s MET 80 Cb -0.09 -0.88 0.04 0.00 2.84 0.00 0.00 34.83 36.74 1syr s MET 80 CO 0.31 -0.29 0.96 -1.25 -0.65 0.00 0.00 175.02 174.10 1syr s PRO 81 N 1.93 2.43 -0.05 4.11 0.04 -1.26 -4.76 135.00 137.44 1syr s PRO 81 Ca 0.04 -0.22 0.04 0.00 0.04 0.00 0.00 61.00 60.90 1syr s PRO 81 Cb -0.12 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.19 1syr s PRO 81 CO -0.05 -1.04 -0.19 0.99 0.04 0.00 0.00 177.00 176.75 1syr s THR 82 N -3.14 1.56 -0.17 1.26 2.01 -1.10 -1.72 115.64 114.34 1syr s THR 82 Ca 0.58 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1syr s THR 82 Cb -0.11 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1syr s THR 82 CO 0.44 0.45 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.39 1syr s PHE 83 N 0.10 2.92 0.07 4.92 0.40 -0.38 -0.53 117.98 125.47 1syr s PHE 83 Ca -0.06 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.64 1syr s PHE 83 Cb -0.13 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1syr s PHE 83 CO 0.03 -0.32 -0.12 0.15 0.70 0.00 0.00 175.22 175.67 1syr s LYS 84 N 0.83 2.20 -0.01 0.44 1.02 -0.78 -0.39 119.74 123.04 1syr s LYS 84 Ca -0.02 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.07 1syr s LYS 84 Cb -0.15 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1syr s LYS 84 CO 0.01 0.54 -0.16 0.14 -0.92 0.00 0.00 175.35 174.96 1syr s VAL 85 N -1.09 2.96 -0.10 3.17 -7.23 0.02 -0.58 120.40 117.55 1syr s VAL 85 Ca 0.19 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1syr s VAL 85 Cb -0.11 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1syr s VAL 85 CO 0.10 0.49 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.84 1syr s TYR 86 N -0.81 2.59 -0.19 2.82 1.51 0.23 -1.47 117.35 122.04 1syr s TYR 86 Ca 0.13 -0.98 -0.01 0.00 -1.01 0.00 0.00 57.07 55.21 1syr s TYR 86 Cb -0.11 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1syr s TYR 86 CO 0.03 -0.38 -0.14 0.21 -1.11 0.00 0.00 175.55 174.15 1syr s LYS 87 N 0.32 3.16 -1.46 -0.62 2.20 -0.88 -1.53 119.74 120.93 1syr s LYS 87 Ca -0.17 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1syr s LYS 87 Cb -0.18 -2.72 0.06 0.00 -1.51 0.00 0.00 37.83 33.48 1syr s LYS 87 CO 0.08 -0.16 1.01 0.09 -0.36 0.00 0.00 175.35 176.01 1syr n ASN 88 N 4.56 -4.76 0.00 1.43 3.02 -0.41 -2.76 115.26 116.35 1syr n ASN 88 Ca -0.20 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1syr n ASN 88 Cb 0.51 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 1syr n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1syr n GLY 89 N -1.75 0.89 3.42 7.41 0.00 -1.24 -5.03 105.19 108.90 1syr n GLY 89 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1syr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1syr s SER 90 N -2.97 3.60 -0.04 1.61 0.01 -1.11 -4.97 113.70 109.83 1syr s SER 90 Ca 0.00 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1syr s SER 90 Cb 0.00 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 1syr s SER 90 CO 0.00 0.25 1.53 -0.55 0.41 0.00 0.00 173.24 174.87 1syr s SER 91 N -1.48 6.75 -0.02 2.44 0.15 -1.26 -2.06 113.70 118.22 1syr s SER 91 Ca 0.14 2.14 0.01 0.00 0.70 0.00 0.00 55.95 58.94 1syr s SER 91 Cb -0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1syr s SER 91 CO 0.05 -0.84 -0.01 1.33 1.20 0.00 0.00 173.24 174.97 1syr n VAL 92 N 5.17 0.12 -3.90 4.45 0.24 -0.54 -4.96 118.33 118.92 1syr n VAL 92 Ca 0.15 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 1syr n VAL 92 Cb 0.43 -0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 31.94 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1syr s ASP 93 N -3.73 0.09 -0.11 -1.34 -1.08 -1.21 -5.02 116.67 104.28 1syr s ASP 93 Ca -0.02 -0.30 -0.05 0.00 -0.52 0.00 0.00 52.55 51.66 1syr s ASP 93 Cb 0.01 0.18 0.05 0.00 -1.46 0.00 0.00 42.92 41.69 1syr s ASP 93 CO 0.06 -0.36 0.25 0.28 0.52 0.00 0.00 175.17 175.92 1syr s THR 94 N -1.46 -0.07 -0.11 1.71 -1.32 -1.26 -0.80 115.64 112.34 1syr s THR 94 Ca -0.15 0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1syr s THR 94 Cb -0.08 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1syr s THR 94 CO 0.01 0.06 -0.23 -0.22 -2.21 0.00 0.00 174.62 172.03 1syr s LEU 95 N 1.34 2.15 -0.12 9.08 2.96 0.47 -5.00 118.68 129.57 1syr s LEU 95 Ca -0.09 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.22 1syr s LEU 95 Cb -0.10 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1syr s LEU 95 CO -0.09 0.15 0.11 -0.76 -1.32 0.00 0.00 176.35 174.45 1syr s LEU 96 N 0.42 4.24 0.00 -0.68 1.43 -1.26 -1.25 118.68 121.57 1syr s LEU 96 Ca -0.16 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1syr s LEU 96 Cb -0.17 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1syr s LEU 96 CO 0.07 0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1syr n GLY 97 N 2.04 1.50 2.85 -3.19 0.00 -0.70 -4.87 105.19 102.82 1syr n GLY 97 Ca -0.20 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1syr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1syr n ALA 98 N 1.95 4.41 -3.87 4.61 0.00 -1.26 -4.65 120.51 121.70 1syr n ALA 98 Ca 0.00 -4.74 -0.34 0.00 0.00 0.00 0.00 53.44 48.37 1syr n ALA 98 Cb 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 19.45 17.61 1syr n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1syr s ASN 99 N -1.48 4.40 0.18 0.00 3.84 -1.26 -4.93 114.94 115.68 1syr s ASN 99 Ca 0.33 -1.15 -0.22 0.00 0.21 0.00 0.00 52.86 52.03 1syr s ASN 99 Cb 0.04 -1.62 0.09 0.00 -0.55 0.00 0.00 41.25 39.22 1syr s ASN 99 CO -0.00 -0.17 1.59 0.44 -2.79 0.00 0.00 177.10 176.17 1syr h ASP 100 N 7.91 -1.12 -0.83 -4.21 5.19 -1.98 0.62 116.42 122.01 1syr h ASP 100 Ca -0.26 0.21 0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1syr h ASP 100 Cb 1.07 0.54 -0.07 0.00 0.18 0.00 0.00 39.33 41.06 1syr h ASP 100 CO 0.53 -0.31 0.49 -1.28 -3.12 0.00 0.00 179.24 175.55 1syr h SER 101 N -0.20 0.73 -0.15 6.45 0.87 -1.99 -1.02 113.55 118.23 1syr h SER 101 Ca 0.21 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1syr h SER 101 Cb 0.54 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1syr h SER 101 CO -0.61 0.44 -0.26 0.00 -0.53 0.00 0.00 176.83 175.86 1syr h ALA 102 N 1.43 0.23 -0.84 6.23 0.00 -1.79 -2.55 119.26 121.97 1syr h ALA 102 Ca 0.38 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1syr h ALA 102 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1syr h ALA 102 CO -0.22 0.22 0.56 1.25 0.00 0.00 0.00 179.25 181.06 1syr h LEU 103 N 0.06 0.97 -0.29 0.00 5.85 -0.70 -0.88 115.31 120.32 1syr h LEU 103 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1syr h LEU 103 Cb 0.84 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1syr h LEU 103 CO 0.06 0.71 0.05 0.50 -0.34 0.00 0.00 178.44 179.42 1syr h LYS 104 N 1.15 0.15 -0.49 1.25 3.64 -1.19 -1.40 116.57 119.68 1syr h LYS 104 Ca 0.31 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.71 1syr h LYS 104 Cb -0.13 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1syr h LYS 104 CO -0.07 0.10 0.27 1.96 -2.27 0.00 0.00 179.45 179.44 1syr h GLN 105 N 0.16 0.52 -0.30 1.90 4.20 -0.90 0.12 115.11 120.80 1syr h GLN 105 Ca 0.14 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1syr h GLN 105 Cb 0.15 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1syr h GLN 105 CO -0.18 0.34 0.18 1.25 -0.67 0.00 0.00 178.83 179.75 1syr h LEU 106 N 0.53 0.36 -0.45 1.46 5.85 -0.92 -1.93 115.31 120.21 1syr h LEU 106 Ca 0.21 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1syr h LEU 106 Cb 0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1syr h LEU 106 CO -0.12 0.30 0.17 0.40 -0.34 0.00 0.00 178.44 178.86 1syr h ILE 107 N 0.38 1.21 0.00 4.05 2.04 -0.82 -2.88 117.51 121.49 1syr h ILE 107 Ca 0.11 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1syr h ILE 107 Cb 0.01 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1syr h ILE 107 CO -0.02 0.24 -0.12 -0.33 0.00 0.00 0.00 178.15 177.92 1syr h GLU 108 N 0.59 0.00 0.00 2.37 5.08 -0.66 -0.85 114.58 121.12 1syr h GLU 108 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1syr h GLU 108 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1syr h GLU 108 CO -0.01 0.12 0.00 1.17 -1.00 0.00 0.00 179.01 179.29 1syr n LYS 109 N -4.01 0.04 0.00 2.33 4.81 -0.74 -3.40 118.16 117.19 1syr n LYS 109 Ca -0.02 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1syr n LYS 109 Cb 0.21 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1syr n LYS 109 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1syr n TYR 110 N -1.70 0.00 -0.78 5.64 4.01 -0.42 -5.11 117.16 118.80 1syr n TYR 110 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1syr n TYR 110 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40