#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1syr n LYS 11 N 0.00 2.10 -3.23 1.45 4.81 -1.25 -4.75 118.16 117.29 1syr n LYS 11 Ca 0.00 0.77 -0.42 0.00 -0.87 0.00 0.00 58.31 57.79 1syr n LYS 11 Cb 0.00 -2.57 -0.08 0.00 0.02 0.00 0.00 35.03 32.40 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 2.75 4.99 0.08 3.15 1.01 -1.26 -0.34 121.20 131.58 1syr s ILE 12 Ca 0.87 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.46 1syr s ILE 12 Cb -0.71 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 37.70 1syr s ILE 12 CO 0.47 -0.30 1.02 -0.69 0.00 0.00 0.00 174.94 175.44 1syr s VAL 13 N 2.44 4.47 -0.82 2.92 1.01 0.68 -4.95 120.40 126.14 1syr s VAL 13 Ca 0.19 1.92 0.11 0.00 0.00 0.00 0.00 61.98 64.20 1syr s VAL 13 Cb -0.15 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1syr s VAL 13 CO 0.14 0.23 0.59 0.35 0.00 0.00 0.00 175.10 176.42 1syr n THR 14 N 3.24 0.00 -4.00 3.92 -2.24 -1.26 -4.53 114.28 109.41 1syr n THR 14 Ca 0.04 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1syr n THR 14 Cb 0.49 1.08 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.70 0.09 0.16 3.42 1.04 -1.26 -4.78 113.70 110.68 1syr s SER 15 Ca 0.07 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.44 1syr s SER 15 Cb 0.09 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.67 1syr s SER 15 CO 0.35 -0.86 1.67 -0.61 0.98 0.00 0.00 173.24 174.77 1syr h GLN 16 N 2.60 0.91 -0.40 4.02 5.75 -1.95 -1.21 115.11 124.82 1syr h GLN 16 Ca -0.32 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1syr h GLN 16 Cb 1.22 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1syr h GLN 16 CO 0.50 0.85 0.18 0.00 -2.65 0.00 0.00 178.83 177.71 1syr h ALA 17 N 1.02 0.52 -0.67 3.38 0.00 -1.98 0.28 119.26 121.81 1syr h ALA 17 Ca 0.18 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1syr h ALA 17 Cb 0.35 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1syr h ALA 17 CO 0.00 0.10 0.37 1.49 0.00 0.00 0.00 179.25 181.21 1syr h GLU 18 N 0.51 0.67 0.17 0.00 4.81 -1.93 0.81 114.58 119.61 1syr h GLU 18 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1syr h GLU 18 Cb 0.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1syr h GLU 18 CO -0.02 0.44 -0.08 0.35 -0.73 0.00 0.00 179.01 178.97 1syr h PHE 19 N 0.69 -0.21 -0.51 0.92 3.57 -0.58 -2.44 116.94 118.38 1syr h PHE 19 Ca 0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1syr h PHE 19 Cb 0.19 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1syr h PHE 19 CO -0.08 -0.04 0.33 -0.44 -2.23 0.00 0.00 178.31 175.85 1syr h ASP 20 N -0.34 0.59 -0.26 0.41 3.32 -0.03 -2.33 116.42 117.79 1syr h ASP 20 Ca -0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1syr h ASP 20 Cb 0.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1syr h ASP 20 CO 0.04 0.44 0.14 0.77 -1.72 0.00 0.00 179.24 178.91 1syr h SER 21 N 0.69 0.33 -0.05 6.45 4.64 -0.75 -0.25 113.55 124.61 1syr h SER 21 Ca 0.19 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1syr h SER 21 Cb -0.07 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1syr h SER 21 CO -0.04 0.33 0.02 0.40 -0.87 0.00 0.00 176.83 176.66 1syr h ILE 22 N 0.31 1.17 -0.91 0.95 2.04 -1.26 0.14 117.51 119.94 1syr h ILE 22 Ca 0.09 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1syr h ILE 22 Cb 0.07 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 1syr h ILE 22 CO -0.01 0.14 0.59 0.40 0.00 0.00 0.00 178.15 179.26 1syr h ILE 23 N -0.12 0.95 0.10 -0.67 5.03 -1.35 -2.22 117.51 119.24 1syr h ILE 23 Ca 0.02 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 64.44 1syr h ILE 23 Cb 0.21 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 33.98 1syr h ILE 23 CO -0.00 0.16 -0.05 -1.28 -0.68 0.00 0.00 178.15 176.30 1syr h SER 24 N 0.89 -0.12 0.00 1.72 0.87 -0.72 -3.31 113.55 112.88 1syr h SER 24 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1syr h SER 24 Cb 0.44 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1syr h SER 24 CO -0.19 0.15 0.00 1.67 -0.53 0.00 0.00 176.83 177.92 1syr n GLN 25 N -3.65 0.77 -4.33 2.24 7.27 0.46 -4.65 117.38 115.48 1syr n GLN 25 Ca -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 1syr n GLN 25 Cb 0.05 -1.47 -0.11 0.00 2.41 0.00 0.00 30.24 31.12 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1syr s ASN 26 N -1.96 3.80 0.02 1.69 0.01 -0.84 -5.05 114.94 112.61 1syr s ASN 26 Ca 0.35 -0.62 0.15 0.00 -0.71 0.00 0.00 52.86 52.02 1syr s ASN 26 Cb 0.16 -0.49 -0.18 0.00 0.41 0.00 0.00 41.25 41.15 1syr s ASN 26 CO 0.27 0.16 0.76 -1.84 -1.51 0.00 0.00 177.10 174.94 1syr n GLU 27 N 0.66 0.62 -3.72 -0.60 0.28 -1.26 -4.56 120.64 112.05 1syr n GLU 27 Ca -0.15 0.26 -0.27 0.00 -0.16 0.00 0.00 57.16 56.85 1syr n GLU 27 Cb 0.53 -1.81 -0.17 0.00 1.43 0.00 0.00 31.44 31.43 1syr n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1syr s LEU 28 N -5.93 1.01 -0.05 -1.84 2.96 -1.26 -1.55 118.68 112.02 1syr s LEU 28 Ca -0.04 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1syr s LEU 28 Cb 0.08 -0.53 0.01 0.00 0.50 0.00 0.00 46.19 46.25 1syr s LEU 28 CO 0.82 -0.30 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.75 1syr s VAL 29 N 1.91 0.96 -0.13 1.68 1.01 -0.66 -0.18 120.40 124.98 1syr s VAL 29 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1syr s VAL 29 Cb -0.16 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1syr s VAL 29 CO -0.08 0.31 0.01 -0.51 0.00 0.00 0.00 175.10 174.83 1syr s ILE 30 N 0.48 4.34 -0.05 2.22 2.07 -0.14 0.20 121.20 130.32 1syr s ILE 30 Ca -0.09 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 1syr s ILE 30 Cb -0.13 -2.88 -0.01 0.00 0.13 0.00 0.00 42.46 39.57 1syr s ILE 30 CO 0.02 0.53 -0.20 0.54 -1.91 0.00 0.00 174.94 173.92 1syr s VAL 31 N -0.18 1.67 -0.31 4.00 0.11 0.84 -1.23 120.40 125.30 1syr s VAL 31 Ca 0.05 -0.85 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 1syr s VAL 31 Cb -0.12 -1.42 0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1syr s VAL 31 CO 0.02 0.47 0.09 -0.62 -3.33 0.00 0.00 175.10 171.73 1syr s ASP 32 N -0.05 5.19 -0.59 3.54 2.15 -0.45 -1.37 116.67 125.10 1syr s ASP 32 Ca -0.04 -0.90 -0.22 0.00 0.43 0.00 0.00 52.55 51.82 1syr s ASP 32 Cb -0.12 -1.87 0.06 0.00 -0.30 0.00 0.00 42.92 40.69 1syr s ASP 32 CO 0.03 -0.25 0.87 -0.36 -0.17 0.00 0.00 175.17 175.28 1syr s PHE 33 N 1.45 2.82 0.40 -5.34 0.08 0.93 -0.57 117.98 117.75 1syr s PHE 33 Ca 0.01 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1syr s PHE 33 Cb -0.18 -4.04 0.01 0.00 -0.57 0.00 0.00 43.02 38.23 1syr s PHE 33 CO 0.02 -1.39 0.05 1.97 -0.10 0.00 0.00 175.22 175.77 1syr n PHE 34 N 7.20 0.65 -3.60 0.36 -1.74 -0.12 -2.88 117.46 117.33 1syr n PHE 34 Ca -0.03 -1.91 -0.10 0.00 -0.56 0.00 0.00 57.45 54.84 1syr n PHE 34 Cb 0.46 -0.27 -0.06 0.00 1.52 0.00 0.00 39.48 41.13 1syr n PHE 34 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1syr s ALA 35 N -2.66 -1.94 0.10 1.98 0.00 -1.26 -0.04 121.76 117.93 1syr s ALA 35 Ca 0.04 1.70 0.34 0.00 0.00 0.00 0.00 51.96 54.03 1syr s ALA 35 Cb -0.00 -0.98 1.45 0.00 0.00 0.00 0.00 23.12 23.58 1syr s ALA 35 CO 0.02 -0.28 2.00 0.93 0.00 0.00 0.00 175.76 178.43 1syr h GLU 36 N 3.27 0.00 -0.00 0.00 4.39 -2.00 -2.02 114.58 118.21 1syr h GLU 36 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1syr h GLU 36 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1syr h GLU 36 CO 0.23 0.00 -0.11 -2.67 -1.16 0.00 0.00 179.01 175.30 1syr n TRP 37 N -2.98 0.00 -3.60 4.33 4.27 -1.26 -4.76 117.44 113.44 1syr n TRP 37 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1syr n TRP 37 Cb 0.27 -0.17 -0.11 0.00 -1.36 0.00 0.00 31.31 29.93 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 8.43 -0.27 1.97 0.00 0.00 -1.85 -2.68 103.07 108.67 1syr h GLY 39 Ca -0.26 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1syr h GLY 39 CO 0.66 -0.18 0.01 -2.55 0.00 0.00 0.00 176.54 174.49 1syr h PRO 40 N -0.32 0.00 -0.60 4.80 0.11 -1.94 -0.52 132.00 133.53 1syr h PRO 40 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1syr h PRO 40 Cb 0.39 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1syr h PRO 40 CO -0.18 0.00 0.07 0.00 -0.21 0.00 0.00 178.00 177.68 1syr h LYS 42 N 0.91 1.10 -0.69 0.00 1.57 -0.86 -3.00 116.57 115.59 1syr h LYS 42 Ca 0.18 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1syr h LYS 42 Cb 0.46 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1syr h LYS 42 CO 0.02 0.96 0.40 0.00 -0.57 0.00 0.00 179.45 180.26 1syr h ARG 43 N 1.05 0.95 -0.01 3.15 3.08 -1.19 -2.98 114.38 118.43 1syr h ARG 43 Ca 0.22 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1syr h ARG 43 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1syr h ARG 43 CO -0.00 0.68 -0.16 1.51 -1.07 0.00 0.00 179.97 180.93 1syr n ILE 44 N -4.38 0.00 0.07 2.04 3.06 -1.03 -4.19 119.36 114.93 1syr n ILE 44 Ca 0.07 -0.17 -0.13 0.00 -2.50 0.00 0.00 62.75 60.03 1syr n ILE 44 Cb 0.08 0.40 -0.08 0.00 0.54 0.00 0.00 39.64 40.59 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 3.92 -0.10 -0.88 1.51 0.00 -1.39 -1.90 119.26 120.42 1syr h ALA 45 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1syr h ALA 45 Cb 0.49 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1syr h ALA 45 CO 0.00 -0.51 0.52 -1.35 0.00 0.00 0.00 179.25 177.92 1syr h PRO 46 N -0.21 0.84 -0.16 0.00 0.11 -1.77 -0.48 132.00 130.34 1syr h PRO 46 Ca -0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1syr h PRO 46 Cb 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1syr h PRO 46 CO 0.02 0.56 0.03 0.35 -0.21 0.00 0.00 178.00 178.74 1syr h PHE 47 N 0.87 0.27 -0.53 0.65 3.57 -1.76 -1.95 116.94 118.06 1syr h PHE 47 Ca 0.42 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.95 1syr h PHE 47 Cb 0.38 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1syr h PHE 47 CO -0.04 0.42 0.22 -0.92 -2.23 0.00 0.00 178.31 175.76 1syr h TYR 48 N 0.04 0.39 -0.48 0.41 3.20 -0.87 -0.38 116.97 119.28 1syr h TYR 48 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1syr h TYR 48 Cb 0.29 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1syr h TYR 48 CO 0.02 0.14 0.17 1.49 -1.64 0.00 0.00 178.16 178.34 1syr h GLU 49 N 0.42 0.73 -0.10 1.82 4.81 -0.89 -1.63 114.58 119.74 1syr h GLU 49 Ca 0.25 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1syr h GLU 49 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1syr h GLU 49 CO -0.23 0.68 0.03 1.49 -0.73 0.00 0.00 179.01 180.25 1syr h GLU 50 N 0.63 0.07 -0.84 1.92 4.57 -0.91 -2.47 114.58 117.56 1syr h GLU 50 Ca 0.16 -0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.48 1syr h GLU 50 Cb 0.24 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 1syr h GLU 50 CO -0.01 0.05 0.42 0.00 -1.18 0.00 0.00 179.01 178.29 1syr h SER 52 N 0.60 0.00 0.68 0.00 4.64 -0.83 -0.06 113.55 118.59 1syr h SER 52 Ca 0.46 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.61 1syr h SER 52 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1syr h SER 52 CO -0.37 0.00 -0.78 0.11 -0.87 0.00 0.00 176.83 174.92 1syr h LYS 53 N 0.00 0.07 0.00 4.77 1.57 -1.00 -3.38 116.57 118.61 1syr h LYS 53 Ca 0.15 -0.07 -0.40 0.00 -1.87 0.00 0.00 60.65 58.45 1syr h LYS 53 Cb 0.63 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1syr h LYS 53 CO -0.00 0.82 -2.47 0.25 -0.57 0.00 0.00 179.45 177.47 1syr n THR 54 N -3.66 1.51 -2.24 -0.16 -2.24 -0.61 -4.69 114.28 102.19 1syr n THR 54 Ca -0.02 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1syr n THR 54 Cb 0.75 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1syr n THR 54 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1syr n TYR 55 N -3.45 3.95 0.37 4.78 4.01 -0.13 -4.78 117.16 121.90 1syr n TYR 55 Ca -0.47 -2.95 0.14 0.00 -0.16 0.00 0.00 57.90 54.46 1syr n TYR 55 Cb 0.97 -2.43 0.47 0.00 -0.31 0.00 0.00 39.34 38.04 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 4.51 0.00 0.00 -0.72 1.03 -1.83 -2.99 112.91 112.90 1syr h THR 56 Ca 0.47 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 1syr h THR 56 Cb 0.74 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1syr h THR 56 CO 1.64 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 177.44 1syr n LYS 57 N -2.70 0.39 -4.37 0.00 5.02 -1.26 -4.78 118.16 110.47 1syr n LYS 57 Ca 0.03 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 1syr n LYS 57 Cb 0.36 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.51 0.78 -0.06 1.97 1.75 -1.13 -4.71 119.30 115.39 1syr s MET 58 Ca 0.25 -0.44 -0.21 0.00 -1.25 0.00 0.00 55.69 54.03 1syr s MET 58 Cb 0.16 -0.75 -0.04 0.00 2.84 0.00 0.00 34.83 37.04 1syr s MET 58 CO 0.36 0.20 0.60 0.08 -0.65 0.00 0.00 175.02 175.61 1syr s VAL 59 N -0.42 5.04 -0.24 10.11 1.01 0.75 -4.94 120.40 131.71 1syr s VAL 59 Ca 0.02 1.24 -0.09 0.00 0.00 0.00 0.00 61.98 63.15 1syr s VAL 59 Cb -0.05 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1syr s VAL 59 CO -0.00 0.33 0.13 -0.36 0.00 0.00 0.00 175.10 175.20 1syr s PHE 60 N 0.41 3.23 0.26 5.22 0.40 -1.26 -0.97 117.98 125.27 1syr s PHE 60 Ca 0.32 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.75 1syr s PHE 60 Cb -0.17 -2.26 -0.05 0.00 0.51 0.00 0.00 43.02 41.04 1syr s PHE 60 CO 0.16 -0.07 -0.07 0.96 0.70 0.00 0.00 175.22 176.89 1syr s ILE 61 N 1.26 1.59 -0.01 0.64 -4.36 -0.36 -3.91 121.20 116.04 1syr s ILE 61 Ca 0.06 -2.13 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 1syr s ILE 61 Cb -0.14 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 1syr s ILE 61 CO 0.05 -0.37 -0.23 -0.54 0.24 0.00 0.00 174.94 174.09 1syr s LYS 62 N -3.72 1.81 -0.13 0.37 1.02 0.53 -1.34 119.74 118.28 1syr s LYS 62 Ca 0.28 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.45 1syr s LYS 62 Cb 0.03 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1syr s LYS 62 CO 0.10 0.48 -0.11 0.08 -0.92 0.00 0.00 175.35 174.99 1syr s VAL 63 N -0.55 1.26 -0.24 3.17 1.01 0.26 -0.23 120.40 125.08 1syr s VAL 63 Ca 0.09 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 1syr s VAL 63 Cb -0.09 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1syr s VAL 63 CO -0.01 0.41 1.11 -0.62 0.00 0.00 0.00 175.10 175.99 1syr s ASP 64 N 1.58 7.00 0.48 3.32 -1.08 -1.26 -0.94 116.67 125.77 1syr s ASP 64 Ca 0.04 1.35 0.15 0.00 -0.52 0.00 0.00 52.55 53.57 1syr s ASP 64 Cb -0.13 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.93 1syr s ASP 64 CO -0.09 -0.77 2.07 -0.37 0.52 0.00 0.00 175.17 176.53 1syr h VAL 65 N 5.56 1.07 0.02 1.11 -1.51 -0.79 -0.05 116.25 121.65 1syr h VAL 65 Ca -0.21 -0.31 -0.27 0.00 -1.23 0.00 0.00 66.70 64.68 1syr h VAL 65 Cb 1.07 1.17 -0.03 0.00 -2.13 0.00 0.00 31.29 31.36 1syr h VAL 65 CO 1.00 0.09 -1.42 0.44 -1.23 0.00 0.00 177.57 176.44 1syr h ASP 66 N 0.00 0.08 -0.22 4.19 3.32 -1.91 -2.91 116.42 118.97 1syr h ASP 66 Ca -0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1syr h ASP 66 Cb 0.16 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1syr h ASP 66 CO 0.01 1.10 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.50 1syr h GLU 67 N 0.01 0.56 -2.21 3.56 4.81 -1.43 -3.16 114.58 116.72 1syr h GLU 67 Ca -0.18 -0.14 -0.56 0.00 -0.13 0.00 0.00 59.36 58.35 1syr h GLU 67 Cb 1.92 -0.07 -0.42 0.00 0.63 0.00 0.00 28.75 30.82 1syr h GLU 67 CO 0.11 0.62 -0.77 0.28 -0.73 0.00 0.00 179.01 178.52 1syr n VAL 68 N -4.24 2.32 -0.32 0.32 0.31 -0.61 -4.91 118.33 111.21 1syr n VAL 68 Ca 0.01 -5.34 0.10 0.00 -0.01 0.00 0.00 64.34 59.09 1syr n VAL 68 Cb 0.29 -1.13 0.20 0.00 -0.91 0.00 0.00 33.84 32.29 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 -0.13 -0.22 -0.31 4.52 7.64 -1.10 -1.37 113.62 122.66 1syr n SER 69 Ca 0.30 1.56 0.06 0.00 1.01 0.00 0.00 58.87 61.80 1syr n SER 69 Cb 0.46 -0.52 0.27 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.92 -0.03 1.43 3.07 -1.91 -0.67 114.58 117.40 1syr h GLU 70 Ca 0.50 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 59.19 1syr h GLU 70 Cb 0.91 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1syr h GLU 70 CO -0.90 0.61 -0.41 0.28 -1.40 0.00 0.00 179.01 177.19 1syr h VAL 71 N 0.95 1.46 -0.43 3.13 2.07 -1.60 -3.10 116.25 118.74 1syr h VAL 71 Ca 0.42 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.96 1syr h VAL 71 Cb 0.36 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1syr h VAL 71 CO -0.18 0.55 0.02 0.71 0.02 0.00 0.00 177.57 178.69 1syr h THR 72 N -0.22 1.22 -0.21 2.57 1.35 -0.66 0.12 112.91 117.09 1syr h THR 72 Ca -0.04 -0.87 -0.11 0.00 -0.55 0.00 0.00 66.41 64.83 1syr h THR 72 Cb 1.11 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1syr h THR 72 CO 0.08 0.31 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.98 1syr h GLU 73 N 0.65 0.44 -0.08 4.72 4.39 -1.29 -2.03 114.58 121.38 1syr h GLU 73 Ca 0.14 -0.20 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 1syr h GLU 73 Cb 0.37 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1syr h GLU 73 CO 0.01 0.74 -0.70 0.87 -1.16 0.00 0.00 179.01 178.77 1syr h LYS 74 N 0.38 0.36 -0.20 2.33 1.57 -1.23 -3.02 116.57 116.74 1syr h LYS 74 Ca 0.04 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1syr h LYS 74 Cb 0.80 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1syr h LYS 74 CO 0.06 0.92 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 1syr n GLU 75 N -3.84 1.66 -3.55 3.15 -0.58 0.35 -4.96 120.64 112.87 1syr n GLU 75 Ca -0.04 -1.00 -0.24 0.00 -0.42 0.00 0.00 57.16 55.46 1syr n GLU 75 Cb 0.69 -1.33 0.01 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.25 -4.21 -4.60 1.62 5.15 -0.80 -4.93 115.26 107.76 1syr n ASN 76 Ca 0.14 -0.73 -0.39 0.00 -0.60 0.00 0.00 54.58 52.99 1syr n ASN 76 Cb 0.28 -1.37 -0.10 0.00 -0.53 0.00 0.00 39.78 38.07 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 -2.58 5.21 -0.17 -1.44 -1.09 -1.00 -4.97 121.20 115.16 1syr s ILE 77 Ca 0.06 0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 58.82 1syr s ILE 77 Cb -0.01 -3.66 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 1syr s ILE 77 CO 0.77 0.16 -0.22 0.35 -1.23 0.00 0.00 174.94 174.78 1syr n THR 78 N 5.11 0.94 -3.21 2.92 -2.24 -1.26 -4.95 114.28 111.59 1syr n THR 78 Ca -0.10 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 1syr n THR 78 Cb 0.51 -1.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 1syr n THR 78 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1syr s SER 79 N -6.50 5.39 -0.03 3.42 1.04 -1.26 -5.13 113.70 110.63 1syr s SER 79 Ca -0.23 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 1syr s SER 79 Cb 0.09 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.73 1syr s SER 79 CO 0.30 -0.80 0.03 -0.32 0.98 0.00 0.00 173.24 173.43 1syr s MET 80 N -4.31 0.06 0.68 4.02 1.75 -1.26 -3.91 119.30 116.32 1syr s MET 80 Ca 0.53 0.19 -0.09 0.00 -1.25 0.00 0.00 55.69 55.07 1syr s MET 80 Cb -0.07 -0.37 0.03 0.00 2.84 0.00 0.00 34.83 37.26 1syr s MET 80 CO 0.32 -0.19 1.03 -1.25 -0.65 0.00 0.00 175.02 174.28 1syr s PRO 81 N 1.26 2.64 -0.06 4.11 0.04 -1.26 -4.69 135.00 137.03 1syr s PRO 81 Ca -0.07 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.15 1syr s PRO 81 Cb -0.13 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1syr s PRO 81 CO -0.03 -1.04 -0.15 0.99 0.04 0.00 0.00 177.00 176.81 1syr s THR 82 N -3.26 1.34 -0.12 1.26 2.01 -1.14 -1.10 115.64 114.63 1syr s THR 82 Ca 0.58 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1syr s THR 82 Cb -0.11 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1syr s THR 82 CO 0.48 0.40 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.41 1syr s PHE 83 N 0.45 3.03 0.03 4.92 0.40 0.12 -0.05 117.98 126.88 1syr s PHE 83 Ca -0.12 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1syr s PHE 83 Cb -0.15 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1syr s PHE 83 CO 0.04 0.13 -0.18 0.15 0.70 0.00 0.00 175.22 176.06 1syr s LYS 84 N -0.11 1.28 -0.04 0.44 -0.14 -0.47 -0.67 119.74 120.02 1syr s LYS 84 Ca 0.02 -0.81 0.06 0.00 -1.36 0.00 0.00 55.97 53.88 1syr s LYS 84 Cb -0.13 -1.32 -0.02 0.00 -1.68 0.00 0.00 37.83 34.67 1syr s LYS 84 CO 0.02 0.34 -0.20 0.54 -0.76 0.00 0.00 175.35 175.30 1syr s VAL 85 N -0.70 2.56 -0.13 3.17 0.11 -0.51 -0.11 120.40 124.78 1syr s VAL 85 Ca 0.06 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1syr s VAL 85 Cb -0.08 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1syr s VAL 85 CO 0.01 0.58 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.84 1syr s TYR 86 N -0.60 2.67 -0.20 1.54 1.51 0.13 -1.29 117.35 121.11 1syr s TYR 86 Ca 0.09 -1.20 -0.03 0.00 -1.01 0.00 0.00 57.07 54.91 1syr s TYR 86 Cb -0.11 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1syr s TYR 86 CO 0.00 -0.53 -0.05 0.21 -1.11 0.00 0.00 175.55 174.07 1syr s LYS 87 N 0.68 3.40 -1.53 -0.62 2.20 -0.38 -1.65 119.74 121.83 1syr s LYS 87 Ca -0.10 -0.63 -0.14 0.00 -0.36 0.00 0.00 55.97 54.75 1syr s LYS 87 Cb -0.16 -2.95 0.09 0.00 -1.51 0.00 0.00 37.83 33.29 1syr s LYS 87 CO 0.01 -0.12 0.99 0.09 -0.36 0.00 0.00 175.35 175.97 1syr n ASN 88 N 4.55 -4.85 0.00 1.43 3.02 -0.60 -2.65 115.26 116.16 1syr n ASN 88 Ca -0.18 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1syr n ASN 88 Cb 0.51 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 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 -1.70 2.15 3.78 7.41 0.00 -1.25 -5.04 105.19 110.55 1syr n GLY 89 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.85 5.70 0.11 1.61 0.01 -1.09 -4.93 113.70 113.27 1syr s SER 90 Ca 0.00 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.14 1syr s SER 90 Cb 0.00 -1.66 -0.06 0.00 0.21 0.00 0.00 66.02 64.50 1syr s SER 90 CO 0.00 0.30 1.16 -0.55 0.41 0.00 0.00 173.24 174.56 1syr s SER 91 N -1.54 7.15 0.00 2.44 0.15 -1.26 -1.25 113.70 119.39 1syr s SER 91 Ca 0.21 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.91 1syr s SER 91 Cb -0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1syr s SER 91 CO 0.11 -0.37 0.00 1.33 1.20 0.00 0.00 173.24 175.51 1syr n VAL 92 N 3.26 0.00 -3.82 4.45 0.24 -0.41 -4.93 118.33 117.12 1syr n VAL 92 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 1syr n VAL 92 Cb 0.46 -0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.55 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 -1.95 -0.08 -0.08 -1.34 -1.08 -1.21 -5.02 116.67 105.91 1syr s ASP 93 Ca 0.00 -0.06 -0.03 0.00 -0.52 0.00 0.00 52.55 51.94 1syr s ASP 93 Cb 0.00 0.26 0.04 0.00 -1.46 0.00 0.00 42.92 41.76 1syr s ASP 93 CO 0.00 -0.39 0.17 0.28 0.52 0.00 0.00 175.17 175.74 1syr s THR 94 N -1.31 -0.08 -0.12 1.71 -1.32 -1.26 -1.43 115.64 111.83 1syr s THR 94 Ca -0.14 0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1syr s THR 94 Cb -0.06 -0.28 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 1syr s THR 94 CO 0.03 0.08 -0.16 -0.22 -2.21 0.00 0.00 174.62 172.14 1syr s LEU 95 N 1.34 2.54 -0.08 9.08 2.96 0.15 -4.99 118.68 129.67 1syr s LEU 95 Ca -0.08 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 1syr s LEU 95 Cb -0.11 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1syr s LEU 95 CO -0.06 0.17 0.12 -0.76 -1.32 0.00 0.00 176.35 174.50 1syr s LEU 96 N 0.29 4.22 0.00 -0.68 1.43 -1.26 -0.70 118.68 121.98 1syr s LEU 96 Ca -0.12 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1syr s LEU 96 Cb -0.16 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1syr s LEU 96 CO 0.06 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.62 1syr n GLY 97 N 1.74 0.38 2.84 -3.19 0.00 -0.26 -4.86 105.19 101.84 1syr n GLY 97 Ca -0.17 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 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 0.51 4.86 -2.97 4.61 0.00 -1.26 -4.70 120.51 121.56 1syr n ALA 98 Ca 0.00 -4.80 -0.33 0.00 0.00 0.00 0.00 53.44 48.31 1syr n ALA 98 Cb 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 19.45 17.37 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 -1.96 4.08 0.02 0.00 3.84 -1.26 -4.94 114.94 114.71 1syr s ASN 99 Ca 0.34 -0.29 -0.24 0.00 0.21 0.00 0.00 52.86 52.88 1syr s ASN 99 Cb 0.08 -1.50 -0.17 0.00 -0.55 0.00 0.00 41.25 39.10 1syr s ASN 99 CO 0.07 0.20 1.39 0.44 -2.79 0.00 0.00 177.10 176.41 1syr h ASP 100 N 6.47 0.10 0.50 -4.21 5.19 -1.99 -0.64 116.42 121.85 1syr h ASP 100 Ca -0.29 -0.38 -0.08 0.00 -0.62 0.00 0.00 57.03 55.66 1syr h ASP 100 Cb 1.20 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1syr h ASP 100 CO 0.55 0.45 -0.36 0.77 -3.12 0.00 0.00 179.24 177.53 1syr h SER 101 N -0.25 0.00 -0.06 6.45 4.64 -1.99 -1.26 113.55 121.07 1syr h SER 101 Ca 0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1syr h SER 101 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1syr h SER 101 CO 0.01 0.36 -0.08 0.00 -0.87 0.00 0.00 176.83 176.25 1syr h ALA 102 N 1.64 0.10 -0.73 5.18 0.00 -1.95 -2.72 119.26 120.78 1syr h ALA 102 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1syr h ALA 102 Cb 0.71 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1syr h ALA 102 CO 0.05 -0.08 0.29 1.25 0.00 0.00 0.00 179.25 180.76 1syr h LEU 103 N -0.29 1.01 -0.71 0.00 5.85 -0.83 -2.04 115.31 118.30 1syr h LEU 103 Ca 0.01 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1syr h LEU 103 Cb 0.61 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1syr h LEU 103 CO 0.02 0.91 0.45 0.50 -0.34 0.00 0.00 178.44 179.97 1syr h LYS 104 N 1.05 0.86 -0.10 1.25 3.64 -1.30 -1.80 116.57 120.17 1syr h LYS 104 Ca 0.24 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1syr h LYS 104 Cb 0.21 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1syr h LYS 104 CO -0.02 0.57 -0.11 0.37 -2.27 0.00 0.00 179.45 177.99 1syr h GLN 105 N 0.88 -0.14 -0.34 1.90 4.15 -1.07 0.35 115.11 120.85 1syr h GLN 105 Ca 0.28 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.74 1syr h GLN 105 Cb -0.00 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1syr h GLN 105 CO -0.10 -0.09 0.16 1.25 -1.93 0.00 0.00 178.83 178.12 1syr h LEU 106 N -0.15 0.24 -0.25 -2.39 5.85 -1.06 -1.46 115.31 116.09 1syr h LEU 106 Ca 0.07 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1syr h LEU 106 Cb 0.25 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1syr h LEU 106 CO -0.18 0.18 0.13 0.40 -0.34 0.00 0.00 178.44 178.63 1syr h ILE 107 N 0.34 1.00 -0.17 4.05 2.04 -1.00 -2.80 117.51 120.98 1syr h ILE 107 Ca 0.14 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1syr h ILE 107 Cb 0.06 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1syr h ILE 107 CO -0.10 0.05 -0.14 -0.33 0.00 0.00 0.00 178.15 177.63 1syr h GLU 108 N 0.28 0.27 -0.76 2.37 5.08 -0.60 0.23 114.58 121.45 1syr h GLU 108 Ca 0.10 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.60 1syr h GLU 108 Cb 0.02 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1syr h GLU 108 CO -0.06 0.41 0.53 -0.22 -1.00 0.00 0.00 179.01 178.67 1syr h LYS 109 N 0.25 0.10 0.00 2.33 3.64 -0.99 -3.22 116.57 118.68 1syr h LYS 109 Ca 0.05 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1syr h LYS 109 Cb 0.40 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1syr h LYS 109 CO 0.02 0.07 -1.19 0.66 -2.27 0.00 0.00 179.45 176.74 1syr n TYR 110 N -4.36 0.00 -0.78 1.91 4.01 -0.45 -5.13 117.16 112.36 1syr n TYR 110 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1syr n TYR 110 Cb 0.76 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40