#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 4.63 0.17 3.17 0.11 -1.26 -5.00 120.40 122.22 1syr s VAL 10 Ca 0.00 1.11 -0.32 0.00 -2.93 0.00 0.00 61.98 59.84 1syr s VAL 10 Cb 0.00 -3.74 -0.11 0.00 -1.53 0.00 0.00 36.38 31.00 1syr s VAL 10 CO 0.00 0.03 1.79 1.17 -3.33 0.00 0.00 175.10 174.75 1syr n LYS 11 N 0.23 2.80 -3.55 1.54 4.81 -1.25 -4.82 118.16 117.91 1syr n LYS 11 Ca 0.00 1.01 -0.38 0.00 -0.87 0.00 0.00 58.31 58.07 1syr n LYS 11 Cb 0.52 -2.89 -0.11 0.00 0.02 0.00 0.00 35.03 32.58 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 1.96 5.28 0.01 3.15 1.01 -1.26 -0.43 121.20 130.92 1syr s ILE 12 Ca 0.78 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 61.35 1syr s ILE 12 Cb -0.49 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1syr s ILE 12 CO 0.35 0.20 0.87 -0.69 0.00 0.00 0.00 174.94 175.66 1syr s VAL 13 N 1.81 4.82 -0.96 2.92 1.01 -0.12 -4.95 120.40 124.93 1syr s VAL 13 Ca 0.08 1.83 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1syr s VAL 13 Cb -0.16 -4.21 0.09 0.00 0.00 0.00 0.00 36.38 32.09 1syr s VAL 13 CO 0.11 0.25 0.82 0.35 0.00 0.00 0.00 175.10 176.63 1syr n THR 14 N 3.45 0.14 -3.81 3.92 -2.24 -1.26 -4.56 114.28 109.91 1syr n THR 14 Ca 0.02 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 1syr n THR 14 Cb 0.51 1.08 -0.05 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 -0.72 -0.15 0.08 3.42 1.04 -1.26 -4.83 113.70 111.28 1syr s SER 15 Ca 0.10 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.74 1syr s SER 15 Cb 0.07 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.62 1syr s SER 15 CO 0.10 -0.99 1.45 -0.61 0.98 0.00 0.00 173.24 174.17 1syr h GLN 16 N 2.33 0.51 -0.74 4.02 4.15 -1.96 -2.15 115.11 121.26 1syr h GLN 16 Ca -0.30 -0.22 0.10 0.00 0.77 0.00 0.00 58.65 59.00 1syr h GLN 16 Cb 1.25 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.85 1syr h GLN 16 CO 0.42 0.76 0.38 0.00 -1.93 0.00 0.00 178.83 178.46 1syr h ALA 17 N 0.73 1.04 -0.03 3.38 0.00 -1.99 0.13 119.26 122.52 1syr h ALA 17 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1syr h ALA 17 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1syr h ALA 17 CO 0.03 -0.02 -0.01 1.49 0.00 0.00 0.00 179.25 180.74 1syr h GLU 18 N 0.64 0.07 -0.37 0.00 4.81 -1.97 -1.58 114.58 116.18 1syr h GLU 18 Ca 0.37 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.65 1syr h GLU 18 Cb 0.39 -0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1syr h GLU 18 CO -0.27 0.43 -0.27 0.35 -0.73 0.00 0.00 179.01 178.51 1syr h PHE 19 N -0.30 -0.73 -0.39 0.92 3.57 -0.77 0.06 116.94 119.30 1syr h PHE 19 Ca 0.01 0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1syr h PHE 19 Cb 0.40 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1syr h PHE 19 CO 0.06 -0.34 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.22 1syr h ASP 20 N -0.22 0.70 0.25 0.41 3.32 -0.74 -2.18 116.42 117.97 1syr h ASP 20 Ca 0.18 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1syr h ASP 20 Cb 0.50 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1syr h ASP 20 CO -0.50 0.86 -0.26 -1.28 -1.72 0.00 0.00 179.24 176.34 1syr h SER 21 N 0.64 -0.70 -0.47 6.45 0.87 -0.63 -1.40 113.55 118.31 1syr h SER 21 Ca 0.11 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1syr h SER 21 Cb 0.60 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1syr h SER 21 CO 0.04 -0.37 0.27 0.40 -0.53 0.00 0.00 176.83 176.63 1syr h ILE 22 N -0.54 1.16 -0.53 2.23 2.04 -0.66 0.55 117.51 121.75 1syr h ILE 22 Ca -0.00 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 1syr h ILE 22 Cb 0.51 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1syr h ILE 22 CO -0.06 0.17 -0.09 0.40 0.00 0.00 0.00 178.15 178.57 1syr h ILE 23 N 0.62 1.26 0.00 -0.67 5.03 -1.33 -1.73 117.51 120.69 1syr h ILE 23 Ca 0.17 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.69 1syr h ILE 23 Cb 0.03 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 34.76 1syr h ILE 23 CO -0.03 0.43 -0.58 0.77 -0.68 0.00 0.00 178.15 178.06 1syr h SER 24 N 0.88 0.00 0.00 1.72 4.64 -1.02 -3.22 113.55 116.55 1syr h SER 24 Ca 0.14 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1syr h SER 24 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1syr h SER 24 CO 0.04 0.08 -1.25 0.00 -0.87 0.00 0.00 176.83 174.83 1syr n GLN 25 N -2.26 0.17 -4.77 4.77 1.13 0.16 -4.85 117.38 111.74 1syr n GLN 25 Ca 0.03 -0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.73 1syr n GLN 25 Cb 0.46 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 29.17 1syr n GLN 25 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1syr s ASN 26 N -3.39 3.66 0.06 1.08 0.01 -0.66 -5.06 114.94 110.63 1syr s ASN 26 Ca 0.04 -0.44 -0.21 0.00 -0.71 0.00 0.00 52.86 51.55 1syr s ASN 26 Cb 0.15 -0.56 -0.12 0.00 0.41 0.00 0.00 41.25 41.14 1syr s ASN 26 CO 0.88 0.27 1.49 -0.08 -1.51 0.00 0.00 177.10 178.15 1syr h GLU 27 N 4.72 0.29 -3.72 -0.60 4.22 -1.88 -3.41 114.58 114.20 1syr h GLU 27 Ca -0.47 -0.09 -0.47 0.00 0.08 0.00 0.00 59.36 58.41 1syr h GLU 27 Cb 1.15 -0.03 -0.38 0.00 0.50 0.00 0.00 28.75 29.99 1syr h GLU 27 CO 0.47 0.51 -0.77 -1.17 -2.18 0.00 0.00 179.01 175.87 1syr s LEU 28 N -9.51 0.81 -0.04 1.64 2.96 -1.26 -0.47 118.68 112.81 1syr s LEU 28 Ca -0.14 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1syr s LEU 28 Cb 0.06 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1syr s LEU 28 CO 0.72 -0.21 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.79 1syr s VAL 29 N 1.91 0.61 -0.13 1.68 1.01 -0.68 -1.41 120.40 123.39 1syr s VAL 29 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1syr s VAL 29 Cb -0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1syr s VAL 29 CO -0.06 0.23 0.13 -0.51 0.00 0.00 0.00 175.10 174.89 1syr s ILE 30 N 0.74 5.45 -0.08 2.22 2.07 0.65 -0.00 121.20 132.24 1syr s ILE 30 Ca -0.11 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1syr s ILE 30 Cb -0.13 -3.39 0.01 0.00 0.13 0.00 0.00 42.46 39.07 1syr s ILE 30 CO 0.01 0.59 -0.18 0.54 -1.91 0.00 0.00 174.94 173.98 1syr s VAL 31 N -0.77 1.61 -0.44 4.00 0.11 0.43 -1.25 120.40 124.10 1syr s VAL 31 Ca 0.14 -0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1syr s VAL 31 Cb -0.12 -1.42 0.04 0.00 -1.53 0.00 0.00 36.38 33.35 1syr s VAL 31 CO 0.03 0.46 0.38 -0.62 -3.33 0.00 0.00 175.10 172.02 1syr s ASP 32 N 0.48 6.15 -0.66 3.54 2.15 -0.31 -1.44 116.67 126.58 1syr s ASP 32 Ca -0.17 -0.98 -0.26 0.00 0.43 0.00 0.00 52.55 51.58 1syr s ASP 32 Cb -0.17 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1syr s ASP 32 CO 0.06 -0.56 1.15 -0.36 -0.17 0.00 0.00 175.17 175.29 1syr s PHE 33 N 1.83 2.51 0.45 -5.34 0.08 0.27 -0.84 117.98 116.94 1syr s PHE 33 Ca 0.07 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.15 1syr s PHE 33 Cb -0.20 -4.46 -0.05 0.00 -0.57 0.00 0.00 43.02 37.74 1syr s PHE 33 CO 0.10 -1.77 0.01 -0.59 -0.10 0.00 0.00 175.22 172.87 1syr s PHE 34 N 4.98 2.22 -0.07 0.36 -0.71 -0.05 -2.96 117.98 121.74 1syr s PHE 34 Ca 0.34 -0.80 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 1syr s PHE 34 Cb -0.10 -1.69 0.05 0.00 -1.21 0.00 0.00 43.02 40.07 1syr s PHE 34 CO 0.17 0.34 0.54 0.00 -1.34 0.00 0.00 175.22 174.94 1syr s ALA 35 N -2.80 -1.39 0.15 1.99 0.00 -1.26 -0.58 121.76 117.87 1syr s ALA 35 Ca 0.22 1.06 0.33 0.00 0.00 0.00 0.00 51.96 53.57 1syr s ALA 35 Cb 0.06 -0.15 1.40 0.00 0.00 0.00 0.00 23.12 24.44 1syr s ALA 35 CO 0.11 -0.32 2.00 0.93 0.00 0.00 0.00 175.76 178.49 1syr h GLU 36 N 3.69 0.00 -0.01 0.00 4.39 -2.00 -2.22 114.58 118.44 1syr h GLU 36 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1syr h GLU 36 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1syr h GLU 36 CO 0.35 0.02 -0.05 -2.67 -1.16 0.00 0.00 179.01 175.51 1syr n TRP 37 N -3.13 0.00 -3.71 4.33 4.27 -1.26 -4.78 117.44 113.16 1syr n TRP 37 Ca 0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 1syr n TRP 37 Cb 0.30 -0.05 -0.12 0.00 -1.36 0.00 0.00 31.31 30.08 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 8.29 -0.66 -0.25 0.00 0.00 -1.86 -2.82 103.07 105.76 1syr h GLY 39 Ca -0.27 0.24 0.22 0.00 0.00 0.00 0.00 47.33 47.53 1syr h GLY 39 CO 0.62 -0.24 0.36 -2.55 0.00 0.00 0.00 176.54 174.73 1syr h PRO 40 N -0.75 0.34 -0.80 4.80 0.11 -1.95 -0.22 132.00 133.53 1syr h PRO 40 Ca -0.06 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.12 1syr h PRO 40 Cb 0.54 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.50 1syr h PRO 40 CO 0.11 0.23 0.46 0.00 -0.21 0.00 0.00 178.00 178.58 1syr h LYS 42 N 0.77 0.44 -0.62 0.00 1.57 -0.84 -2.62 116.57 115.29 1syr h LYS 42 Ca 0.39 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1syr h LYS 42 Cb 0.34 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1syr h LYS 42 CO -0.24 0.75 0.01 0.00 -0.57 0.00 0.00 179.45 179.39 1syr h ARG 43 N 0.38 1.08 -0.00 3.15 3.08 -0.70 -3.18 114.38 118.19 1syr h ARG 43 Ca 0.04 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1syr h ARG 43 Cb 0.82 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1syr h ARG 43 CO 0.07 1.05 -0.30 1.51 -1.07 0.00 0.00 179.97 181.23 1syr n ILE 44 N -4.18 0.00 -0.03 2.04 3.06 -0.81 -4.20 119.36 115.24 1syr n ILE 44 Ca 0.03 -0.05 -0.11 0.00 -2.50 0.00 0.00 62.75 60.13 1syr n ILE 44 Cb 0.35 0.13 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 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 3.31 -0.42 -0.69 1.51 0.00 -1.44 -1.91 119.26 119.62 1syr h ALA 45 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1syr h ALA 45 Cb 0.47 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1syr h ALA 45 CO 0.00 -0.84 0.35 -1.35 0.00 0.00 0.00 179.25 177.42 1syr h PRO 46 N -0.40 0.61 -0.69 0.00 0.11 -1.79 -0.08 132.00 129.75 1syr h PRO 46 Ca 0.11 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.18 1syr h PRO 46 Cb 0.58 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1syr h PRO 46 CO -0.42 0.40 0.45 0.35 -0.21 0.00 0.00 178.00 178.57 1syr h PHE 47 N 0.62 0.88 -0.50 0.65 3.57 -1.76 -0.84 116.94 119.56 1syr h PHE 47 Ca 0.33 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 1syr h PHE 47 Cb 0.29 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1syr h PHE 47 CO -0.10 0.56 0.11 -0.92 -2.23 0.00 0.00 178.31 175.73 1syr h TYR 48 N 0.94 0.85 -0.40 0.41 3.20 -0.47 -0.91 116.97 120.59 1syr h TYR 48 Ca 0.25 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1syr h TYR 48 Cb -0.10 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 1syr h TYR 48 CO -0.02 0.76 0.23 1.49 -1.64 0.00 0.00 178.16 178.98 1syr h GLU 49 N 0.69 0.55 -0.66 1.82 4.81 -0.74 -2.02 114.58 119.03 1syr h GLU 49 Ca 0.16 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1syr h GLU 49 Cb 0.35 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1syr h GLU 49 CO 0.00 0.43 0.43 1.49 -0.73 0.00 0.00 179.01 180.63 1syr h GLU 50 N 0.52 0.85 -0.43 1.92 4.57 -0.86 -2.84 114.58 118.31 1syr h GLU 50 Ca 0.14 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1syr h GLU 50 Cb 0.03 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1syr h GLU 50 CO -0.03 0.56 0.28 0.00 -1.18 0.00 0.00 179.01 178.64 1syr h SER 52 N 0.56 0.00 -0.15 0.00 4.64 -1.12 0.96 113.55 118.44 1syr h SER 52 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 1syr h SER 52 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1syr h SER 52 CO -0.05 0.00 -0.48 0.11 -0.87 0.00 0.00 176.83 175.55 1syr h LYS 53 N 0.00 0.59 0.09 4.77 1.57 -1.41 -3.38 116.57 118.80 1syr h LYS 53 Ca 0.11 -0.43 -0.33 0.00 -1.87 0.00 0.00 60.65 58.12 1syr h LYS 53 Cb 0.60 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1syr h LYS 53 CO -0.00 1.05 -1.83 1.79 -0.57 0.00 0.00 179.45 179.89 1syr h THR 54 N 0.24 0.78 -1.24 -0.16 1.35 -0.91 -3.39 112.91 109.58 1syr h THR 54 Ca -0.02 -2.52 -0.75 0.00 -0.55 0.00 0.00 66.41 62.57 1syr h THR 54 Cb 1.10 2.53 -0.14 0.00 -1.73 0.00 0.00 68.15 69.91 1syr h THR 54 CO 0.10 0.76 2.16 -1.22 -0.25 0.00 0.00 175.52 177.08 1syr n TYR 55 N -3.35 2.92 0.30 4.73 4.01 0.02 -4.76 117.16 121.03 1syr n TYR 55 Ca -0.25 -2.80 0.16 0.00 -0.16 0.00 0.00 57.90 54.85 1syr n TYR 55 Cb 1.05 -1.98 0.72 0.00 -0.31 0.00 0.00 39.34 38.82 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 3.64 0.00 0.00 -0.72 1.03 -1.81 -2.39 112.91 112.65 1syr h THR 56 Ca 0.44 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.61 1syr h THR 56 Cb 0.59 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 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 -2.68 0.60 -4.70 0.00 5.02 -1.26 -4.76 118.16 110.38 1syr n LYS 57 Ca -0.00 0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 1syr n LYS 57 Cb 0.18 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.35 1.39 -0.05 1.97 1.75 -0.90 -4.76 119.30 116.35 1syr s MET 58 Ca 0.33 -0.52 -0.27 0.00 -1.25 0.00 0.00 55.69 53.98 1syr s MET 58 Cb 0.19 -1.28 -0.03 0.00 2.84 0.00 0.00 34.83 36.56 1syr s MET 58 CO 0.40 0.25 0.86 0.08 -0.65 0.00 0.00 175.02 175.95 1syr s VAL 59 N -0.09 4.94 -0.19 10.11 1.01 -0.50 -4.91 120.40 130.77 1syr s VAL 59 Ca 0.00 1.77 -0.06 0.00 0.00 0.00 0.00 61.98 63.70 1syr s VAL 59 Cb -0.09 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1syr s VAL 59 CO 0.01 0.17 0.02 -0.36 0.00 0.00 0.00 175.10 174.94 1syr s PHE 60 N 1.11 3.11 0.11 5.22 0.40 -1.26 -0.26 117.98 126.41 1syr s PHE 60 Ca 0.45 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 1syr s PHE 60 Cb -0.19 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1syr s PHE 60 CO 0.22 -0.05 -0.06 0.96 0.70 0.00 0.00 175.22 176.99 1syr s ILE 61 N 0.65 0.68 -0.03 0.64 -4.36 -0.38 -3.88 121.20 114.52 1syr s ILE 61 Ca 0.01 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 1syr s ILE 61 Cb -0.14 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 1syr s ILE 61 CO 0.02 -0.83 -0.22 -0.54 0.24 0.00 0.00 174.94 173.61 1syr s LYS 62 N -3.85 2.24 -0.14 0.37 1.02 0.43 -1.16 119.74 118.65 1syr s LYS 62 Ca 0.13 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1syr s LYS 62 Cb 0.05 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1syr s LYS 62 CO -0.04 0.58 -0.12 0.08 -0.92 0.00 0.00 175.35 174.94 1syr s VAL 63 N -0.65 1.38 -0.31 3.17 1.01 -0.02 -0.94 120.40 124.03 1syr s VAL 63 Ca 0.10 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1syr s VAL 63 Cb -0.10 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1syr s VAL 63 CO -0.00 0.41 1.06 -0.62 0.00 0.00 0.00 175.10 175.94 1syr s ASP 64 N 1.56 6.93 0.58 3.32 -1.08 -1.26 -0.87 116.67 125.85 1syr s ASP 64 Ca 0.05 1.06 0.33 0.00 -0.52 0.00 0.00 52.55 53.46 1syr s ASP 64 Cb -0.13 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.59 1syr s ASP 64 CO -0.10 -0.85 2.19 -0.37 0.52 0.00 0.00 175.17 176.56 1syr h VAL 65 N 5.70 0.35 0.04 1.11 -1.51 -1.18 -0.89 116.25 119.88 1syr h VAL 65 Ca -0.21 -0.26 -0.32 0.00 -1.23 0.00 0.00 66.70 64.69 1syr h VAL 65 Cb 1.06 1.18 -0.04 0.00 -2.13 0.00 0.00 31.29 31.36 1syr h VAL 65 CO 1.02 0.05 -1.87 0.47 -1.23 0.00 0.00 177.57 176.00 1syr n ASP 66 N -3.50 1.22 -0.29 4.19 8.00 -1.26 -2.92 116.55 122.00 1syr n ASP 66 Ca -0.02 0.30 -0.05 0.00 0.71 0.00 0.00 54.79 55.73 1syr n ASP 66 Cb 0.16 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.02 1.13 -2.25 -1.24 4.81 -1.59 -3.29 114.58 112.17 1syr h GLU 67 Ca -0.36 -0.17 -0.58 0.00 -0.13 0.00 0.00 59.36 58.13 1syr h GLU 67 Cb 2.03 -0.20 -0.42 0.00 0.63 0.00 0.00 28.75 30.80 1syr h GLU 67 CO 0.07 0.88 -0.71 0.28 -0.73 0.00 0.00 179.01 178.81 1syr n VAL 68 N -4.36 2.70 0.09 0.32 0.31 -0.61 -4.90 118.33 111.87 1syr n VAL 68 Ca 0.07 -5.47 0.09 0.00 -0.01 0.00 0.00 64.34 59.03 1syr n VAL 68 Cb 0.14 -1.26 0.56 0.00 -0.91 0.00 0.00 33.84 32.37 1syr n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1syr h SER 69 N 2.98 0.20 -0.80 4.52 4.64 -1.61 -0.41 113.55 123.07 1syr h SER 69 Ca 0.13 -0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.62 1syr h SER 69 Cb 0.56 -0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.49 1syr h SER 69 CO 0.78 0.14 0.27 -0.33 -0.87 0.00 0.00 176.83 176.81 1syr h GLU 70 N 0.23 0.33 -0.09 4.77 3.07 -1.90 0.02 114.58 121.00 1syr h GLU 70 Ca 0.13 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.90 1syr h GLU 70 Cb 0.23 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1syr h GLU 70 CO -0.02 0.22 -0.21 0.28 -1.40 0.00 0.00 179.01 177.87 1syr h VAL 71 N 0.34 1.40 -0.07 3.13 2.07 -1.45 -3.00 116.25 118.67 1syr h VAL 71 Ca 0.47 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.35 1syr h VAL 71 Cb 0.82 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1syr h VAL 71 CO -0.51 0.44 -0.48 0.71 0.02 0.00 0.00 177.57 177.75 1syr h THR 72 N -0.15 1.34 -0.24 2.57 1.35 -1.02 0.25 112.91 117.01 1syr h THR 72 Ca 0.00 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.15 1syr h THR 72 Cb 0.81 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1syr h THR 72 CO 0.05 0.49 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.47 1syr h GLU 73 N 0.13 0.43 -0.84 4.72 4.39 -1.15 -1.60 114.58 120.67 1syr h GLU 73 Ca 0.01 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1syr h GLU 73 Cb 0.90 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1syr h GLU 73 CO 0.07 0.62 0.49 -0.22 -1.16 0.00 0.00 179.01 178.81 1syr h LYS 74 N 0.20 1.15 -0.02 2.33 1.63 -1.21 -2.83 116.57 117.82 1syr h LYS 74 Ca 0.07 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1syr h LYS 74 Cb 0.43 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1syr h LYS 74 CO 0.01 0.81 0.00 0.39 -3.45 0.00 0.00 179.45 177.22 1syr n GLU 75 N -4.36 1.76 -3.31 1.90 -0.58 0.81 -4.97 120.64 111.88 1syr n GLU 75 Ca 0.09 -1.10 -0.14 0.00 -0.42 0.00 0.00 57.16 55.60 1syr n GLU 75 Cb 0.07 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 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 0.34 -6.67 -4.53 1.62 5.15 -0.64 -4.95 115.26 105.57 1syr n ASN 76 Ca 0.18 -0.56 -0.41 0.00 -0.60 0.00 0.00 54.58 53.19 1syr n ASN 76 Cb 0.39 -4.61 -0.09 0.00 -0.53 0.00 0.00 39.78 34.94 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 -3.23 5.10 -0.18 -1.44 -1.09 -0.99 -4.96 121.20 114.40 1syr s ILE 77 Ca 0.26 0.05 -0.16 0.00 -2.23 0.00 0.00 60.65 58.57 1syr s ILE 77 Cb -0.06 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1syr s ILE 77 CO 0.78 -0.21 -0.31 0.35 -1.23 0.00 0.00 174.94 174.32 1syr n THR 78 N 5.35 1.49 -3.39 2.92 -2.24 -1.26 -4.98 114.28 112.17 1syr n THR 78 Ca -0.07 0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1syr n THR 78 Cb 0.49 -2.30 -0.00 0.00 -2.10 0.00 0.00 70.33 66.41 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 -6.07 5.82 -0.08 3.42 1.04 -1.26 -5.11 113.70 111.45 1syr s SER 79 Ca -0.28 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1syr s SER 79 Cb 0.05 -1.06 0.03 0.00 0.10 0.00 0.00 66.02 65.14 1syr s SER 79 CO 0.40 -0.51 -0.03 -0.32 0.98 0.00 0.00 173.24 173.76 1syr s MET 80 N -4.20 0.97 0.71 4.02 1.75 -1.26 -3.68 119.30 117.61 1syr s MET 80 Ca 0.47 -0.05 -0.06 0.00 -1.25 0.00 0.00 55.69 54.80 1syr s MET 80 Cb -0.09 -1.17 0.08 0.00 2.84 0.00 0.00 34.83 36.49 1syr s MET 80 CO 0.31 -0.25 1.02 -1.25 -0.65 0.00 0.00 175.02 174.19 1syr s PRO 81 N 1.71 2.03 -0.04 4.11 0.04 -1.26 -4.78 135.00 136.81 1syr s PRO 81 Ca 0.02 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.67 1syr s PRO 81 Cb -0.13 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1syr s PRO 81 CO -0.05 -1.32 -0.12 0.99 0.04 0.00 0.00 177.00 176.54 1syr s THR 82 N -3.24 1.08 -0.14 1.26 2.01 -1.16 -1.94 115.64 113.50 1syr s THR 82 Ca 0.62 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1syr s THR 82 Cb -0.09 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1syr s THR 82 CO 0.45 0.33 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.30 1syr s PHE 83 N 0.24 3.00 -0.03 4.92 0.40 0.41 -0.56 117.98 126.37 1syr s PHE 83 Ca -0.06 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1syr s PHE 83 Cb -0.11 -1.92 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 1syr s PHE 83 CO 0.02 0.01 -0.20 0.15 0.70 0.00 0.00 175.22 175.90 1syr s LYS 84 N 0.20 1.82 -0.13 0.44 1.02 -0.52 0.05 119.74 122.62 1syr s LYS 84 Ca -0.03 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1syr s LYS 84 Cb -0.14 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.52 1syr s LYS 84 CO 0.03 0.35 -0.17 0.54 -0.92 0.00 0.00 175.35 175.18 1syr s VAL 85 N -0.23 2.62 -0.09 3.17 0.11 -0.10 -0.42 120.40 125.46 1syr s VAL 85 Ca 0.02 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1syr s VAL 85 Cb -0.10 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1syr s VAL 85 CO 0.01 0.53 0.02 -0.31 -3.33 0.00 0.00 175.10 172.02 1syr s TYR 86 N 0.53 3.22 -0.10 1.54 1.51 1.00 -1.23 117.35 123.81 1syr s TYR 86 Ca -0.11 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1syr s TYR 86 Cb -0.16 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1syr s TYR 86 CO 0.04 0.49 -0.10 0.21 -1.11 0.00 0.00 175.55 175.09 1syr s LYS 87 N -0.87 1.65 -1.41 -0.62 2.20 -0.17 -1.69 119.74 118.83 1syr s LYS 87 Ca 0.13 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.33 1syr s LYS 87 Cb -0.11 -1.57 0.04 0.00 -1.51 0.00 0.00 37.83 34.67 1syr s LYS 87 CO 0.02 -0.17 0.91 0.09 -0.36 0.00 0.00 175.35 175.84 1syr n ASN 88 N 4.57 -3.54 0.00 1.43 3.02 0.38 -2.38 115.26 118.74 1syr n ASN 88 Ca -0.16 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1syr n ASN 88 Cb 0.51 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 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 -1.66 2.94 3.85 7.41 0.00 -1.21 -5.02 105.19 111.50 1syr n GLY 89 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.48 6.07 0.01 1.61 0.01 -1.00 -4.85 113.70 114.07 1syr s SER 90 Ca 0.00 0.29 -0.30 0.00 1.31 0.00 0.00 55.95 57.24 1syr s SER 90 Cb 0.00 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 1syr s SER 90 CO 0.00 0.30 1.15 -0.55 0.41 0.00 0.00 173.24 174.54 1syr s SER 91 N -1.66 7.14 -0.06 2.44 0.15 -1.26 -1.00 113.70 119.45 1syr s SER 91 Ca 0.23 1.86 -0.01 0.00 0.70 0.00 0.00 55.95 58.73 1syr s SER 91 Cb -0.12 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1syr s SER 91 CO 0.14 -0.46 -0.06 0.52 1.20 0.00 0.00 173.24 174.58 1syr n VAL 92 N 4.14 0.35 -4.06 4.45 0.31 -0.37 -4.93 118.33 118.23 1syr n VAL 92 Ca 0.09 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1syr n VAL 92 Cb 0.47 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.29 1syr n VAL 92 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1syr s ASP 93 N -4.93 0.64 -0.12 4.52 -1.08 -1.11 -5.02 116.67 109.59 1syr s ASP 93 Ca -0.09 -0.71 -0.05 0.00 -0.52 0.00 0.00 52.55 51.19 1syr s ASP 93 Cb 0.03 0.10 0.05 0.00 -1.46 0.00 0.00 42.92 41.64 1syr s ASP 93 CO 0.13 -0.36 0.25 0.28 0.52 0.00 0.00 175.17 175.99 1syr s THR 94 N -2.33 -0.23 -0.12 1.71 -1.32 -1.26 -0.93 115.64 111.17 1syr s THR 94 Ca -0.04 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1syr s THR 94 Cb -0.04 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.53 1syr s THR 94 CO -0.03 0.09 -0.13 -0.22 -2.21 0.00 0.00 174.62 172.12 1syr s LEU 95 N 1.87 2.75 -0.10 9.08 2.96 0.11 -4.98 118.68 130.36 1syr s LEU 95 Ca -0.04 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1syr s LEU 95 Cb -0.11 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1syr s LEU 95 CO -0.08 0.20 0.11 -0.76 -1.32 0.00 0.00 176.35 174.49 1syr s LEU 96 N 0.16 4.18 0.00 -0.68 1.43 -1.26 -0.44 118.68 122.07 1syr s LEU 96 Ca -0.07 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1syr s LEU 96 Cb -0.15 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1syr s LEU 96 CO 0.05 0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1syr n GLY 97 N 1.93 0.24 2.63 -3.19 0.00 -0.82 -4.85 105.19 101.14 1syr n GLY 97 Ca -0.19 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 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 0.46 4.52 -3.56 4.61 0.00 -1.26 -4.72 120.51 120.57 1syr n ALA 98 Ca 0.00 -4.77 -0.35 0.00 0.00 0.00 0.00 53.44 48.33 1syr n ALA 98 Cb 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.44 4.20 0.17 0.00 3.84 -1.26 -4.92 114.94 114.54 1syr s ASN 99 Ca 0.39 -0.42 -0.16 0.00 0.21 0.00 0.00 52.86 52.89 1syr s ASN 99 Cb 0.15 -1.72 0.11 0.00 -0.55 0.00 0.00 41.25 39.24 1syr s ASN 99 CO -0.01 -0.02 1.70 0.44 -2.79 0.00 0.00 177.10 176.41 1syr h ASP 100 N 8.10 -0.17 -0.87 -4.21 3.32 -1.99 -0.99 116.42 119.60 1syr h ASP 100 Ca -0.42 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1syr h ASP 100 Cb 1.16 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1syr h ASP 100 CO 0.61 -0.05 0.44 0.28 -1.72 0.00 0.00 179.24 178.79 1syr h SER 101 N 0.10 1.12 -0.49 6.45 0.02 -1.99 0.16 113.55 118.91 1syr h SER 101 Ca 0.20 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1syr h SER 101 Cb 0.28 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1syr h SER 101 CO -0.33 0.93 0.25 0.00 -1.14 0.00 0.00 176.83 176.54 1syr h ALA 102 N 1.24 0.63 -0.53 3.77 0.00 -1.82 -2.07 119.26 120.47 1syr h ALA 102 Ca 0.30 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1syr h ALA 102 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1syr h ALA 102 CO -0.04 0.18 -0.08 1.25 0.00 0.00 0.00 179.25 180.56 1syr h LEU 103 N 0.65 0.99 -0.85 0.00 5.85 -0.69 -1.69 115.31 119.59 1syr h LEU 103 Ca 0.17 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1syr h LEU 103 Cb 0.09 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1syr h LEU 103 CO -0.02 1.10 0.55 0.50 -0.34 0.00 0.00 178.44 180.23 1syr h LYS 104 N 0.87 1.08 -0.55 1.25 3.64 -0.84 -1.07 116.57 120.96 1syr h LYS 104 Ca 0.14 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1syr h LYS 104 Cb 0.64 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1syr h LYS 104 CO 0.04 0.71 0.14 1.96 -2.27 0.00 0.00 179.45 180.04 1syr h GLN 105 N 1.11 0.87 -0.42 1.90 4.20 -1.05 0.30 115.11 122.02 1syr h GLN 105 Ca 0.32 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1syr h GLN 105 Cb -0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1syr h GLN 105 CO -0.09 0.81 0.25 1.25 -0.67 0.00 0.00 178.83 180.39 1syr h LEU 106 N 0.77 0.50 -0.33 1.46 5.85 -0.95 -2.00 115.31 120.61 1syr h LEU 106 Ca 0.17 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1syr h LEU 106 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1syr h LEU 106 CO -0.00 0.41 -0.02 0.40 -0.34 0.00 0.00 178.44 178.89 1syr h ILE 107 N 0.55 1.26 -0.83 4.05 2.04 -0.86 -3.04 117.51 120.68 1syr h ILE 107 Ca 0.15 -1.01 0.11 0.00 1.00 0.00 0.00 64.86 65.12 1syr h ILE 107 Cb 0.00 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 1syr h ILE 107 CO -0.03 0.33 0.46 -0.08 0.00 0.00 0.00 178.15 178.83 1syr h GLU 108 N 0.39 0.71 -0.28 2.37 4.57 -0.29 -0.48 114.58 121.57 1syr h GLU 108 Ca 0.09 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 1syr h GLU 108 Cb 0.48 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1syr h GLU 108 CO 0.02 0.47 0.23 -0.22 -1.18 0.00 0.00 179.01 178.33 1syr h LYS 109 N 0.73 0.00 -0.00 1.92 3.64 -1.24 -2.92 116.57 118.70 1syr h LYS 109 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1syr h LYS 109 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1syr h LYS 109 CO -0.29 0.00 -0.12 0.66 -2.27 0.00 0.00 179.45 177.44 1syr n TYR 110 N -4.14 0.00 -1.25 1.91 4.01 -0.81 -5.13 117.16 111.76 1syr n TYR 110 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1syr n TYR 110 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1syr n TYR 110 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40