#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 2.34 -3.32 1.45 4.81 -1.25 -4.75 118.16 117.45 1syr n LYS 11 Ca 0.00 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 57.86 1syr n LYS 11 Cb 0.00 -2.69 -0.09 0.00 0.02 0.00 0.00 35.03 32.28 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 2.63 5.08 0.25 3.15 1.01 -1.26 0.29 121.20 132.35 1syr s ILE 12 Ca 0.85 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 1syr s ILE 12 Cb -0.63 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 37.72 1syr s ILE 12 CO 0.43 -0.40 1.19 -0.69 0.00 0.00 0.00 174.94 175.46 1syr s VAL 13 N 2.16 3.37 -0.39 2.92 1.01 0.75 -4.93 120.40 125.29 1syr s VAL 13 Ca 0.13 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1syr s VAL 13 Cb -0.17 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.44 1syr s VAL 13 CO 0.14 0.26 0.66 0.35 0.00 0.00 0.00 175.10 176.50 1syr n THR 14 N 1.73 0.11 -3.62 3.92 -2.24 -1.26 -4.54 114.28 108.37 1syr n THR 14 Ca 0.02 -0.56 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 1syr n THR 14 Cb 0.44 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.35 -0.28 0.05 3.42 1.04 -1.26 -4.84 113.70 111.47 1syr s SER 15 Ca 0.04 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 1syr s SER 15 Cb 0.03 0.47 -0.14 0.00 0.10 0.00 0.00 66.02 66.48 1syr s SER 15 CO 0.04 -0.80 1.45 -0.61 0.98 0.00 0.00 173.24 174.30 1syr h GLN 16 N 2.53 0.22 -0.62 4.02 4.15 -1.96 -0.47 115.11 122.97 1syr h GLN 16 Ca -0.33 -0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.11 1syr h GLN 16 Cb 1.24 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.81 1syr h GLN 16 CO 0.45 0.48 -0.44 0.00 -1.93 0.00 0.00 178.83 177.40 1syr h ALA 17 N 0.72 -0.31 -0.40 3.38 0.00 -1.99 0.13 119.26 120.80 1syr h ALA 17 Ca 0.03 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1syr h ALA 17 Cb 0.39 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1syr h ALA 17 CO 0.01 -0.82 0.18 1.49 0.00 0.00 0.00 179.25 180.10 1syr h GLU 18 N -0.20 0.35 0.10 0.00 4.81 -1.92 -1.27 114.58 116.45 1syr h GLU 18 Ca 0.19 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1syr h GLU 18 Cb 0.56 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1syr h GLU 18 CO -0.72 0.23 -0.27 0.35 -0.73 0.00 0.00 179.01 177.88 1syr h PHE 19 N 0.36 -0.72 -0.53 0.92 3.57 -0.10 -0.50 116.94 119.93 1syr h PHE 19 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1syr h PHE 19 Cb 0.12 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1syr h PHE 19 CO -0.12 -0.37 0.27 -0.44 -2.23 0.00 0.00 178.31 175.42 1syr h ASP 20 N -0.47 0.66 0.33 0.41 3.32 -0.56 -2.08 116.42 118.04 1syr h ASP 20 Ca 0.04 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 56.85 1syr h ASP 20 Cb 0.50 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1syr h ASP 20 CO -0.17 0.56 -0.72 -1.28 -1.72 0.00 0.00 179.24 175.91 1syr h SER 21 N 0.75 0.40 -0.04 6.45 0.87 -0.82 -1.11 113.55 120.04 1syr h SER 21 Ca 0.19 -0.26 -0.23 0.00 -1.23 0.00 0.00 61.79 60.26 1syr h SER 21 Cb 0.06 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1syr h SER 21 CO -0.03 0.99 -0.84 0.40 -0.53 0.00 0.00 176.83 176.82 1syr h ILE 22 N 0.23 1.29 -0.35 2.23 2.04 -0.71 -1.40 117.51 120.84 1syr h ILE 22 Ca -0.03 -2.08 -0.12 0.00 1.00 0.00 0.00 64.86 63.64 1syr h ILE 22 Cb 1.29 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 1syr h ILE 22 CO 0.12 0.65 -0.25 0.40 0.00 0.00 0.00 178.15 179.07 1syr h ILE 23 N 0.46 1.29 0.41 -0.67 5.03 -1.40 -2.73 117.51 119.90 1syr h ILE 23 Ca -0.07 -1.40 -0.02 0.00 -0.12 0.00 0.00 64.86 63.25 1syr h ILE 23 Cb 1.47 1.41 0.00 0.00 -3.03 0.00 0.00 36.82 36.68 1syr h ILE 23 CO 0.17 0.46 -0.20 0.28 -0.68 0.00 0.00 178.15 178.18 1syr h SER 24 N 0.58 -0.46 0.63 1.72 0.02 -1.23 -3.30 113.55 111.51 1syr h SER 24 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1syr h SER 24 Cb 0.81 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1syr h SER 24 CO 0.07 -0.31 -0.10 0.00 -1.14 0.00 0.00 176.83 175.35 1syr n GLN 25 N -5.31 0.31 -5.16 3.45 6.02 -0.53 -4.76 117.38 111.40 1syr n GLN 25 Ca -0.11 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.51 1syr n GLN 25 Cb 0.24 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 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 -2.73 2.81 0.11 1.08 0.01 -1.03 -5.05 114.94 110.14 1syr s ASN 26 Ca 0.22 -0.45 -0.20 0.00 -0.71 0.00 0.00 52.86 51.71 1syr s ASN 26 Cb 0.19 -0.59 -0.09 0.00 0.41 0.00 0.00 41.25 41.17 1syr s ASN 26 CO 0.52 0.25 1.75 -0.08 -1.51 0.00 0.00 177.10 178.02 1syr h GLU 27 N 5.89 0.21 -4.31 -0.60 4.81 -1.86 -3.41 114.58 115.31 1syr h GLU 27 Ca -0.36 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.25 1syr h GLU 27 Cb 1.16 -0.05 -0.39 0.00 0.63 0.00 0.00 28.75 30.11 1syr h GLU 27 CO 0.47 0.16 -0.78 -1.17 -0.73 0.00 0.00 179.01 176.97 1syr s LEU 28 N -10.13 2.75 -0.06 1.64 2.96 -1.26 -1.36 118.68 113.22 1syr s LEU 28 Ca -0.13 -1.31 0.03 0.00 -0.22 0.00 0.00 54.13 52.49 1syr s LEU 28 Cb 0.08 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.58 1syr s LEU 28 CO 0.69 -0.27 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.62 1syr s VAL 29 N 1.37 1.25 -0.15 1.68 1.01 -0.70 -0.51 120.40 124.35 1syr s VAL 29 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1syr s VAL 29 Cb -0.19 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1syr s VAL 29 CO -0.08 0.38 -0.03 -0.51 0.00 0.00 0.00 175.10 174.85 1syr s ILE 30 N 0.44 3.92 -0.12 2.22 2.07 0.21 -0.13 121.20 129.82 1syr s ILE 30 Ca -0.11 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 58.80 1syr s ILE 30 Cb -0.14 -2.71 0.01 0.00 0.13 0.00 0.00 42.46 39.74 1syr s ILE 30 CO 0.03 0.50 -0.20 0.54 -1.91 0.00 0.00 174.94 173.91 1syr s VAL 31 N 0.26 1.85 -0.44 4.00 0.11 -0.15 -1.52 120.40 124.50 1syr s VAL 31 Ca -0.03 -0.87 -0.19 0.00 -2.93 0.00 0.00 61.98 57.97 1syr s VAL 31 Cb -0.14 -1.64 0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1syr s VAL 31 CO 0.03 0.51 0.54 -0.62 -3.33 0.00 0.00 175.10 172.23 1syr s ASP 32 N 0.71 6.24 -0.60 3.54 2.15 -0.56 -2.01 116.67 126.14 1syr s ASP 32 Ca -0.11 -0.63 -0.25 0.00 0.43 0.00 0.00 52.55 52.00 1syr s ASP 32 Cb -0.16 -2.27 0.04 0.00 -0.30 0.00 0.00 42.92 40.24 1syr s ASP 32 CO 0.02 -0.71 1.02 -0.36 -0.17 0.00 0.00 175.17 174.97 1syr s PHE 33 N 2.44 2.68 0.39 -5.34 0.08 0.02 -1.24 117.98 117.01 1syr s PHE 33 Ca 0.16 -0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1syr s PHE 33 Cb -0.17 -4.24 0.01 0.00 -0.57 0.00 0.00 43.02 38.05 1syr s PHE 33 CO 0.15 -1.53 0.07 1.97 -0.10 0.00 0.00 175.22 175.78 1syr n PHE 34 N 7.87 0.51 -3.57 0.36 -1.74 0.08 -2.96 117.46 118.01 1syr n PHE 34 Ca 0.02 -1.86 -0.13 0.00 -0.56 0.00 0.00 57.45 54.92 1syr n PHE 34 Cb 0.47 -0.27 -0.06 0.00 1.52 0.00 0.00 39.48 41.14 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 -2.64 -1.87 -0.94 1.98 0.00 -1.26 -0.38 121.76 116.65 1syr s ALA 35 Ca 0.05 1.57 0.28 0.00 0.00 0.00 0.00 51.96 53.87 1syr s ALA 35 Cb -0.00 -0.60 1.12 0.00 0.00 0.00 0.00 23.12 23.64 1syr s ALA 35 CO 0.03 -0.32 1.88 0.39 0.00 0.00 0.00 175.76 177.74 1syr n GLU 36 N 1.18 0.06 0.00 0.00 -0.58 -1.26 -2.14 120.64 117.90 1syr n GLU 36 Ca -0.14 0.05 0.14 0.00 -0.42 0.00 0.00 57.16 56.78 1syr n GLU 36 Cb 0.57 -1.57 0.51 0.00 -0.57 0.00 0.00 31.44 30.39 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 -1.67 0.00 -3.54 -0.32 4.27 -1.26 -4.82 117.44 110.11 1syr n TRP 37 Ca 0.07 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.26 1syr n TRP 37 Cb 0.36 -0.22 -0.10 0.00 -1.36 0.00 0.00 31.31 30.00 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 8.52 -0.27 0.73 0.00 0.00 -1.87 -2.13 103.07 108.05 1syr h GLY 39 Ca -0.25 0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.45 1syr h GLY 39 CO 0.76 -0.19 0.52 -2.55 0.00 0.00 0.00 176.54 175.08 1syr h PRO 40 N -0.32 0.57 -0.98 4.80 0.11 -1.94 -2.55 132.00 131.69 1syr h PRO 40 Ca 0.07 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.16 1syr h PRO 40 Cb 0.41 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 1syr h PRO 40 CO -0.21 0.38 0.65 0.00 -0.21 0.00 0.00 178.00 178.61 1syr h LYS 42 N 1.33 0.92 -0.84 0.00 1.57 -1.36 -2.87 116.57 115.32 1syr h LYS 42 Ca 0.36 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1syr h LYS 42 Cb -0.14 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1syr h LYS 42 CO -0.08 1.00 0.55 0.00 -0.57 0.00 0.00 179.45 180.34 1syr h ARG 43 N 0.77 1.11 0.00 3.15 3.08 -1.22 -2.97 114.38 118.30 1syr h ARG 43 Ca 0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1syr h ARG 43 Cb 0.64 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1syr h ARG 43 CO 0.04 0.74 -0.57 1.51 -1.07 0.00 0.00 179.97 180.62 1syr n ILE 44 N -4.40 0.19 -0.17 2.04 3.06 -1.06 -4.23 119.36 114.79 1syr n ILE 44 Ca 0.09 -0.15 -0.02 0.00 -2.50 0.00 0.00 62.75 60.17 1syr n ILE 44 Cb 0.03 0.01 0.08 0.00 0.54 0.00 0.00 39.64 40.30 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 2.72 0.62 -0.87 1.51 0.00 -1.33 -1.29 119.26 120.62 1syr h ALA 45 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1syr h ALA 45 Cb 0.64 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1syr h ALA 45 CO 0.00 -0.26 0.57 -1.35 0.00 0.00 0.00 179.25 178.21 1syr h PRO 46 N 0.30 1.09 -0.57 0.00 0.11 -1.77 -0.68 132.00 130.49 1syr h PRO 46 Ca 0.26 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1syr h PRO 46 Cb 0.33 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1syr h PRO 46 CO -0.30 0.72 0.16 0.35 -0.21 0.00 0.00 178.00 178.72 1syr h PHE 47 N 1.13 0.94 -0.57 0.65 3.57 -1.60 -0.75 116.94 120.31 1syr h PHE 47 Ca 0.34 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1syr h PHE 47 Cb -0.04 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 1syr h PHE 47 CO -0.02 0.80 0.33 -0.92 -2.23 0.00 0.00 178.31 176.28 1syr h TYR 48 N 0.81 0.77 -0.22 0.41 3.20 -0.97 -1.03 116.97 119.94 1syr h TYR 48 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1syr h TYR 48 Cb 0.32 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1syr h TYR 48 CO 0.02 0.54 0.14 1.49 -1.64 0.00 0.00 178.16 178.71 1syr h GLU 49 N 0.77 0.29 -0.42 1.82 4.81 -0.93 -1.34 114.58 119.59 1syr h GLU 49 Ca 0.20 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1syr h GLU 49 Cb 0.01 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1syr h GLU 49 CO -0.04 0.22 0.16 1.49 -0.73 0.00 0.00 179.01 180.11 1syr h GLU 50 N 0.28 0.32 -0.60 1.92 4.57 -0.92 -2.77 114.58 117.38 1syr h GLU 50 Ca 0.08 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1syr h GLU 50 Cb -0.01 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1syr h GLU 50 CO -0.02 0.21 0.26 0.00 -1.18 0.00 0.00 179.01 178.29 1syr h SER 52 N 0.82 0.01 -0.03 0.00 4.64 -0.96 0.49 113.55 118.52 1syr h SER 52 Ca 0.20 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 1syr h SER 52 Cb 0.17 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1syr h SER 52 CO -0.02 0.00 -0.80 0.11 -0.87 0.00 0.00 176.83 175.25 1syr h LYS 53 N 0.01 0.60 0.14 4.77 1.57 -1.44 -3.38 116.57 118.83 1syr h LYS 53 Ca 0.45 -0.60 -0.36 0.00 -1.87 0.00 0.00 60.65 58.26 1syr h LYS 53 Cb 1.78 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 1syr h LYS 53 CO -0.01 1.22 -1.94 0.00 -0.57 0.00 0.00 179.45 178.15 1syr h THR 54 N 0.21 0.70 -1.00 -0.16 1.03 -1.25 -3.39 112.91 109.04 1syr h THR 54 Ca -0.09 -2.38 -0.74 0.00 -0.01 0.00 0.00 66.41 63.19 1syr h THR 54 Cb 1.48 2.57 -0.12 0.00 -1.07 0.00 0.00 68.15 71.01 1syr h THR 54 CO 0.16 0.89 2.32 -1.22 -0.01 0.00 0.00 175.52 177.66 1syr n TYR 55 N -3.51 3.37 0.32 0.00 4.01 0.04 -4.76 117.16 116.63 1syr n TYR 55 Ca -0.30 -2.90 0.16 0.00 -0.16 0.00 0.00 57.90 54.70 1syr n TYR 55 Cb 1.05 -2.19 0.64 0.00 -0.31 0.00 0.00 39.34 38.54 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 3.98 0.00 0.00 -0.72 1.03 -1.79 -2.94 112.91 112.47 1syr h THR 56 Ca 0.44 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.46 1syr h THR 56 Cb 0.66 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1syr h THR 56 CO 1.67 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 177.47 1syr n LYS 57 N -2.78 0.04 -4.39 0.00 5.02 -1.26 -4.75 118.16 110.04 1syr n LYS 57 Ca 0.01 0.29 -0.19 0.00 -2.02 0.00 0.00 58.31 56.39 1syr n LYS 57 Cb 0.26 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.90 0.88 -0.12 1.97 1.75 -1.11 -4.74 119.30 115.02 1syr s MET 58 Ca 0.06 -0.59 -0.21 0.00 -1.25 0.00 0.00 55.69 53.71 1syr s MET 58 Cb 0.07 -0.85 -0.03 0.00 2.84 0.00 0.00 34.83 36.85 1syr s MET 58 CO 0.18 0.22 0.61 0.08 -0.65 0.00 0.00 175.02 175.46 1syr s VAL 59 N -0.61 5.08 -0.22 10.11 1.01 0.34 -4.95 120.40 131.16 1syr s VAL 59 Ca 0.02 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 1syr s VAL 59 Cb -0.06 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1syr s VAL 59 CO 0.00 0.23 0.07 -0.36 0.00 0.00 0.00 175.10 175.05 1syr s PHE 60 N 1.08 3.15 0.14 5.22 0.40 -1.26 -0.62 117.98 126.09 1syr s PHE 60 Ca 0.31 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 1syr s PHE 60 Cb -0.16 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 1syr s PHE 60 CO 0.13 -0.13 -0.10 0.96 0.70 0.00 0.00 175.22 176.78 1syr s ILE 61 N 1.10 1.13 -0.03 0.64 -4.36 -0.58 -3.84 121.20 115.28 1syr s ILE 61 Ca 0.04 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 1syr s ILE 61 Cb -0.14 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.74 1syr s ILE 61 CO 0.03 -0.74 -0.22 -0.54 0.24 0.00 0.00 174.94 173.71 1syr s LYS 62 N -3.70 1.93 -0.11 0.37 1.02 0.14 -1.50 119.74 117.89 1syr s LYS 62 Ca 0.16 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1syr s LYS 62 Cb 0.02 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.54 1syr s LYS 62 CO 0.00 0.45 -0.14 0.08 -0.92 0.00 0.00 175.35 174.83 1syr s VAL 63 N -0.43 1.42 -0.24 3.17 1.01 -0.37 -0.17 120.40 124.78 1syr s VAL 63 Ca 0.06 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1syr s VAL 63 Cb -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1syr s VAL 63 CO 0.00 0.43 0.92 -0.62 0.00 0.00 0.00 175.10 175.83 1syr s ASP 64 N 1.14 6.93 0.59 3.32 -1.08 -1.26 -0.74 116.67 125.57 1syr s ASP 64 Ca -0.04 1.16 0.32 0.00 -0.52 0.00 0.00 52.55 53.47 1syr s ASP 64 Cb -0.14 -2.48 1.86 0.00 -1.46 0.00 0.00 42.92 40.70 1syr s ASP 64 CO -0.04 -0.59 2.24 -0.37 0.52 0.00 0.00 175.17 176.93 1syr h VAL 65 N 5.46 0.42 0.12 1.11 -1.51 -1.05 -1.50 116.25 119.29 1syr h VAL 65 Ca -0.21 -0.13 -0.37 0.00 -1.23 0.00 0.00 66.70 64.76 1syr h VAL 65 Cb 1.08 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1syr h VAL 65 CO 0.92 0.03 -2.03 0.47 -1.23 0.00 0.00 177.57 175.72 1syr n ASP 66 N -3.63 2.12 -0.11 4.19 8.00 -1.26 -2.99 116.55 122.87 1syr n ASP 66 Ca -0.03 0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.74 1syr n ASP 66 Cb 0.12 -0.83 0.43 0.00 -0.02 0.00 0.00 41.12 40.82 1syr n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1syr h GLU 67 N 0.07 0.54 -2.09 -1.24 4.81 -1.74 -3.13 114.58 111.80 1syr h GLU 67 Ca -0.44 -0.03 -0.54 0.00 -0.13 0.00 0.00 59.36 58.22 1syr h GLU 67 Cb 2.03 -0.12 -0.41 0.00 0.63 0.00 0.00 28.75 30.87 1syr h GLU 67 CO 0.08 0.36 -0.87 0.28 -0.73 0.00 0.00 179.01 178.13 1syr n VAL 68 N -4.48 1.78 -0.34 0.32 0.31 -0.64 -4.92 118.33 110.36 1syr n VAL 68 Ca 0.09 -5.09 -0.00 0.00 -0.01 0.00 0.00 64.34 59.33 1syr n VAL 68 Cb 0.27 -0.90 0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 -0.06 -0.54 -0.34 4.52 7.64 -1.16 -1.35 113.62 122.33 1syr n SER 69 Ca 0.28 1.54 0.04 0.00 1.01 0.00 0.00 58.87 61.74 1syr n SER 69 Cb 0.52 -0.37 0.11 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.00 -0.09 1.43 3.07 -1.91 -0.15 114.58 116.93 1syr h GLU 70 Ca 0.32 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 1syr h GLU 70 Cb 0.54 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1syr h GLU 70 CO -0.88 -0.00 -0.06 0.28 -1.40 0.00 0.00 179.01 176.94 1syr h VAL 71 N -0.00 1.35 -0.56 3.13 2.07 -1.59 -3.01 116.25 117.63 1syr h VAL 71 Ca 0.43 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.91 1syr h VAL 71 Cb 0.68 1.93 -0.09 0.00 -1.52 0.00 0.00 31.29 32.28 1syr h VAL 71 CO -0.97 0.32 0.05 0.74 0.02 0.00 0.00 177.57 177.74 1syr h THR 72 N -0.20 0.60 -0.24 2.57 2.02 -0.59 0.48 112.91 117.56 1syr h THR 72 Ca 0.02 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 66.96 1syr h THR 72 Cb 0.55 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1syr h THR 72 CO 0.02 0.03 -0.57 -0.33 0.37 0.00 0.00 175.52 175.04 1syr h GLU 73 N 0.17 0.77 -0.84 6.66 4.39 -1.28 -2.40 114.58 122.05 1syr h GLU 73 Ca 0.29 -0.50 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1syr h GLU 73 Cb 0.44 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1syr h GLU 73 CO -0.43 1.13 0.42 -0.22 -1.16 0.00 0.00 179.01 178.74 1syr h LYS 74 N 0.58 1.21 -0.28 2.33 3.64 -1.27 -2.98 116.57 119.81 1syr h LYS 74 Ca 0.01 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1syr h LYS 74 Cb 1.16 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1syr h LYS 74 CO 0.12 0.92 0.00 0.39 -2.27 0.00 0.00 179.45 178.61 1syr n GLU 75 N -4.33 1.79 -3.63 1.90 -0.58 0.11 -4.96 120.64 110.94 1syr n GLU 75 Ca 0.08 -1.20 -0.26 0.00 -0.42 0.00 0.00 57.16 55.36 1syr n GLU 75 Cb 0.13 -1.33 0.02 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.45 -5.56 -4.52 1.62 5.15 -0.92 -4.95 115.26 106.52 1syr n ASN 76 Ca 0.14 -0.87 -0.42 0.00 -0.60 0.00 0.00 54.58 52.83 1syr n ASN 76 Cb 0.31 -3.18 -0.09 0.00 -0.53 0.00 0.00 39.78 36.30 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 -3.28 5.12 -0.08 -1.44 -1.09 -1.14 -4.97 121.20 114.32 1syr s ILE 77 Ca 0.29 -0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1syr s ILE 77 Cb -0.11 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1syr s ILE 77 CO 0.86 -0.23 -0.13 0.35 -1.23 0.00 0.00 174.94 174.56 1syr n THR 78 N 5.33 0.71 -3.08 2.92 -2.24 -1.26 -4.99 114.28 111.67 1syr n THR 78 Ca -0.08 0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.84 1syr n THR 78 Cb 0.49 -1.92 0.01 0.00 -2.10 0.00 0.00 70.33 66.81 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 -4.77 5.73 -0.05 3.42 1.04 -1.26 -5.12 113.70 112.69 1syr s SER 79 Ca -0.11 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1syr s SER 79 Cb 0.02 -1.11 0.02 0.00 0.10 0.00 0.00 66.02 65.04 1syr s SER 79 CO 0.16 -0.72 -0.08 -0.32 0.98 0.00 0.00 173.24 173.27 1syr s MET 80 N -4.43 1.13 0.79 4.02 1.75 -1.26 -3.97 119.30 117.34 1syr s MET 80 Ca 0.50 -0.23 -0.09 0.00 -1.25 0.00 0.00 55.69 54.62 1syr s MET 80 Cb -0.10 -1.03 0.11 0.00 2.84 0.00 0.00 34.83 36.66 1syr s MET 80 CO 0.35 -0.02 1.12 -1.25 -0.65 0.00 0.00 175.02 174.57 1syr s PRO 81 N 0.73 1.66 -0.03 4.11 0.04 -1.26 -4.72 135.00 135.52 1syr s PRO 81 Ca -0.12 -0.37 0.01 0.00 0.04 0.00 0.00 61.00 60.57 1syr s PRO 81 Cb -0.14 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1syr s PRO 81 CO 0.02 -1.64 -0.05 0.99 0.04 0.00 0.00 177.00 176.35 1syr s THR 82 N -3.46 0.55 -0.16 1.26 2.01 -1.15 -1.97 115.64 112.71 1syr s THR 82 Ca 0.65 -0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.45 1syr s THR 82 Cb -0.08 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1syr s THR 82 CO 0.48 0.21 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.18 1syr s PHE 83 N 0.59 2.94 0.05 4.92 0.40 -0.04 -0.80 117.98 126.04 1syr s PHE 83 Ca -0.08 -0.55 0.09 0.00 -0.60 0.00 0.00 56.93 55.78 1syr s PHE 83 Cb -0.11 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1syr s PHE 83 CO 0.00 -0.21 -0.24 0.15 0.70 0.00 0.00 175.22 175.62 1syr s LYS 84 N 0.62 1.62 -0.04 0.44 -0.14 -0.85 0.17 119.74 121.56 1syr s LYS 84 Ca -0.04 -1.05 0.06 0.00 -1.36 0.00 0.00 55.97 53.58 1syr s LYS 84 Cb -0.15 -1.78 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1syr s LYS 84 CO 0.03 0.46 -0.22 0.54 -0.76 0.00 0.00 175.35 175.39 1syr s VAL 85 N -0.81 1.79 -0.10 3.17 0.11 -0.31 -0.98 120.40 123.26 1syr s VAL 85 Ca 0.10 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1syr s VAL 85 Cb -0.10 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1syr s VAL 85 CO 0.02 0.50 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.86 1syr s TYR 86 N -0.27 2.79 -0.19 1.54 1.51 0.81 -0.88 117.35 122.66 1syr s TYR 86 Ca 0.02 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1syr s TYR 86 Cb -0.11 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1syr s TYR 86 CO 0.01 -0.07 -0.13 0.21 -1.11 0.00 0.00 175.55 174.47 1syr s LYS 87 N -0.01 2.26 -1.33 -0.62 2.20 -0.15 -1.72 119.74 120.36 1syr s LYS 87 Ca -0.03 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1syr s LYS 87 Cb -0.14 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1syr s LYS 87 CO 0.04 -0.37 0.25 0.09 -0.36 0.00 0.00 175.35 175.00 1syr n ASN 88 N 4.66 -5.08 0.00 1.43 3.02 -0.47 -3.08 115.26 115.75 1syr n ASN 88 Ca -0.16 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 1syr n ASN 88 Cb 0.47 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 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 -1.20 0.74 3.32 7.41 0.00 -1.25 -5.02 105.19 109.20 1syr n GLY 89 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.43 2.98 -0.07 1.61 0.01 -1.18 -4.91 113.70 109.71 1syr s SER 90 Ca 0.00 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 1syr s SER 90 Cb 0.00 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1syr s SER 90 CO 0.00 0.21 1.35 -0.55 0.41 0.00 0.00 173.24 174.66 1syr s SER 91 N -1.38 6.90 -0.16 2.44 0.15 -1.26 -0.98 113.70 119.41 1syr s SER 91 Ca 0.11 1.93 -0.02 0.00 0.70 0.00 0.00 55.95 58.67 1syr s SER 91 Cb -0.10 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.57 1syr s SER 91 CO 0.03 -0.73 -0.16 1.33 1.20 0.00 0.00 173.24 174.90 1syr n VAL 92 N 4.99 0.91 -4.10 4.45 0.24 -0.06 -4.93 118.33 119.83 1syr n VAL 92 Ca 0.13 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1syr n VAL 92 Cb 0.44 -1.25 -0.11 0.00 -1.47 0.00 0.00 33.84 31.46 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 -5.81 0.82 -0.13 -1.34 -1.08 -1.20 -5.02 116.67 102.93 1syr s ASP 93 Ca -0.22 -0.80 -0.06 0.00 -0.52 0.00 0.00 52.55 50.95 1syr s ASP 93 Cb 0.06 0.10 0.05 0.00 -1.46 0.00 0.00 42.92 41.67 1syr s ASP 93 CO 0.34 -0.39 0.30 0.28 0.52 0.00 0.00 175.17 176.23 1syr s THR 94 N -2.70 -0.09 -0.09 1.71 -1.32 -1.26 -1.16 115.64 110.73 1syr s THR 94 Ca 0.01 0.15 0.04 0.00 -1.21 0.00 0.00 61.69 60.67 1syr s THR 94 Cb -0.01 -0.46 -0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1syr s THR 94 CO -0.04 0.06 -0.24 -0.22 -2.21 0.00 0.00 174.62 171.98 1syr s LEU 95 N 1.45 2.08 -0.12 9.08 2.96 0.13 -4.99 118.68 129.26 1syr s LEU 95 Ca -0.08 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1syr s LEU 95 Cb -0.10 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1syr s LEU 95 CO -0.10 0.17 0.08 -0.76 -1.32 0.00 0.00 176.35 174.42 1syr s LEU 96 N 0.28 4.04 0.00 -0.68 1.43 -1.26 -0.86 118.68 121.63 1syr s LEU 96 Ca -0.17 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1syr s LEU 96 Cb -0.17 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1syr s LEU 96 CO 0.08 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1syr n GLY 97 N 2.23 1.98 2.79 -3.19 0.00 -0.83 -4.86 105.19 103.31 1syr n GLY 97 Ca -0.19 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 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 1.98 4.70 -2.89 4.61 0.00 -1.26 -4.71 120.51 122.93 1syr n ALA 98 Ca 0.00 -4.79 -0.36 0.00 0.00 0.00 0.00 53.44 48.30 1syr n ALA 98 Cb 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 19.45 17.57 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 5.43 0.12 0.00 3.84 -1.26 -4.93 114.94 116.17 1syr s ASN 99 Ca 0.34 -0.05 -0.24 0.00 0.21 0.00 0.00 52.86 53.12 1syr s ASN 99 Cb 0.08 -1.95 -0.06 0.00 -0.55 0.00 0.00 41.25 38.77 1syr s ASN 99 CO 0.05 0.07 1.66 0.44 -2.79 0.00 0.00 177.10 176.53 1syr h ASP 100 N 7.45 -0.57 -0.56 -4.21 5.19 -1.99 -0.66 116.42 121.07 1syr h ASP 100 Ca -0.37 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.04 1syr h ASP 100 Cb 1.17 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.90 1syr h ASP 100 CO 0.63 -0.26 0.01 0.77 -3.12 0.00 0.00 179.24 177.28 1syr h SER 101 N -0.31 0.98 -0.80 6.45 4.64 -1.99 -0.80 113.55 121.72 1syr h SER 101 Ca 0.06 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.12 1syr h SER 101 Cb 0.39 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1syr h SER 101 CO -0.19 1.03 0.53 0.00 -0.87 0.00 0.00 176.83 177.33 1syr h ALA 102 N 1.07 1.01 -0.20 5.18 0.00 -1.91 -1.43 119.26 122.99 1syr h ALA 102 Ca 0.17 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1syr h ALA 102 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1syr h ALA 102 CO 0.03 0.42 -0.46 1.25 0.00 0.00 0.00 179.25 180.49 1syr h LEU 103 N 1.08 0.53 -0.77 0.00 5.85 -0.63 -2.27 115.31 119.11 1syr h LEU 103 Ca 0.29 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1syr h LEU 103 Cb -0.12 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1syr h LEU 103 CO -0.06 0.92 0.41 0.50 -0.34 0.00 0.00 178.44 179.86 1syr h LYS 104 N 0.40 1.08 -0.55 1.25 3.64 -0.71 -1.96 116.57 119.72 1syr h LYS 104 Ca 0.03 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1syr h LYS 104 Cb 0.96 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1syr h LYS 104 CO 0.08 0.81 -0.09 1.96 -2.27 0.00 0.00 179.45 179.94 1syr h GLN 105 N 1.06 1.02 -0.37 1.90 4.20 -0.95 -0.10 115.11 121.88 1syr h GLN 105 Ca 0.27 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1syr h GLN 105 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1syr h GLN 105 CO -0.04 1.06 0.10 1.25 -0.67 0.00 0.00 178.83 180.53 1syr h LEU 106 N 0.91 0.55 -0.65 1.46 5.85 -1.22 -1.73 115.31 120.48 1syr h LEU 106 Ca 0.14 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1syr h LEU 106 Cb 0.66 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1syr h LEU 106 CO 0.05 0.62 0.28 0.40 -0.34 0.00 0.00 178.44 179.45 1syr h ILE 107 N 0.44 1.23 -0.21 4.05 2.04 -1.22 -3.00 117.51 120.84 1syr h ILE 107 Ca 0.12 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 1syr h ILE 107 Cb 0.28 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1syr h ILE 107 CO -0.00 0.28 -0.23 -0.33 0.00 0.00 0.00 178.15 177.87 1syr h GLU 108 N 0.92 0.39 -0.01 2.37 5.08 -0.86 -1.46 114.58 121.00 1syr h GLU 108 Ca 0.22 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1syr h GLU 108 Cb 0.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1syr h GLU 108 CO -0.02 0.60 0.16 -0.22 -1.00 0.00 0.00 179.01 178.52 1syr h LYS 109 N 0.35 0.00 0.00 2.33 3.64 -1.16 -3.08 116.57 118.64 1syr h LYS 109 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1syr h LYS 109 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1syr h LYS 109 CO 0.04 0.00 -0.09 0.66 -2.27 0.00 0.00 179.45 177.79 1syr n TYR 110 N -3.06 0.00 -1.18 1.91 4.01 -0.92 -5.12 117.16 112.81 1syr n TYR 110 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1syr n TYR 110 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40