#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scf n VAL 12 N 0.00 -0.47 -0.27 3.44 0.31 -1.26 -0.29 118.33 119.79 1scf n VAL 12 Ca 0.00 1.72 0.01 0.00 -0.01 0.00 0.00 64.34 66.06 1scf n VAL 12 Cb 0.00 -2.13 0.08 0.00 -0.91 0.00 0.00 33.84 30.87 1scf n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1scf h LYS 13 N 0.00 -0.03 0.00 5.55 1.79 -2.07 -2.03 116.57 119.78 1scf h LYS 13 Ca 0.11 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.48 1scf h LYS 13 Cb 0.28 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1scf h LYS 13 CO -0.65 -0.02 -0.50 -0.44 -1.08 0.00 0.00 179.45 176.76 1scf h ASP 14 N -0.03 0.00 -0.59 0.86 3.32 -1.10 -3.30 116.42 115.59 1scf h ASP 14 Ca 0.35 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1scf h ASP 14 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1scf h ASP 14 CO -0.80 0.50 0.29 0.58 -1.72 0.00 0.00 179.24 178.10 1scf h VAL 15 N 0.00 1.21 0.00 -1.35 2.07 -0.24 -1.15 116.25 116.79 1scf h VAL 15 Ca -0.01 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1scf h VAL 15 Cb 1.29 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1scf h VAL 15 CO 0.07 0.23 -0.28 0.74 0.02 0.00 0.00 177.57 178.34 1scf h THR 16 N 0.80 1.08 0.21 2.57 2.02 -1.46 -1.28 112.91 116.84 1scf h THR 16 Ca 0.20 -1.02 -0.32 0.00 0.77 0.00 0.00 66.41 66.04 1scf h THR 16 Cb 0.10 1.57 0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1scf h THR 16 CO -0.03 0.28 -1.49 0.50 0.37 0.00 0.00 175.52 175.15 1scf h LYS 17 N 0.00 0.43 -0.04 6.66 3.64 -1.58 -2.64 116.57 123.05 1scf h LYS 17 Ca -0.00 -0.74 -0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1scf h LYS 17 Cb 0.54 0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1scf h LYS 17 CO 0.04 1.35 0.02 1.25 -2.27 0.00 0.00 179.45 179.84 1scf h LEU 18 N 0.12 0.05 -0.67 5.20 5.85 -1.05 -1.94 115.31 122.87 1scf h LEU 18 Ca -0.25 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.55 1scf h LEU 18 Cb 2.11 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 43.03 1scf h LEU 18 CO 0.23 0.09 0.14 0.58 -0.34 0.00 0.00 178.44 179.15 1scf h VAL 19 N 0.00 0.58 0.00 1.05 2.07 -1.26 -0.07 116.25 118.62 1scf h VAL 19 Ca 0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1scf h VAL 19 Cb 0.05 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1scf h VAL 19 CO -0.00 0.05 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 1scf h ALA 20 N 1.54 1.70 -0.15 1.67 0.00 -1.35 -2.96 119.26 119.71 1scf h ALA 20 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1scf h ALA 20 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1scf h ALA 20 CO -0.46 0.01 0.00 -1.71 0.00 0.00 0.00 179.25 177.09 1scf n ASN 21 N -4.11 2.96 -4.82 0.00 5.15 -0.14 -4.89 115.26 109.42 1scf n ASN 21 Ca -0.03 -1.91 -0.33 0.00 -0.60 0.00 0.00 54.58 51.71 1scf n ASN 21 Cb 0.09 -0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1scf n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1scf s LEU 22 N -1.62 4.04 0.34 1.20 1.43 -0.62 -5.04 118.68 118.42 1scf s LEU 22 Ca 0.29 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 1scf s LEU 22 Cb 0.19 -2.35 -0.11 0.00 0.03 0.00 0.00 46.19 43.94 1scf s LEU 22 CO 0.27 0.27 1.51 -2.65 0.23 0.00 0.00 176.35 175.99 1scf n PRO 23 N 1.15 2.64 0.26 1.29 -0.02 -1.26 -4.91 135.00 134.15 1scf n PRO 23 Ca -0.13 0.93 0.10 0.00 -2.02 0.00 0.00 63.50 62.38 1scf n PRO 23 Cb 0.53 -2.67 0.68 0.00 -0.02 0.00 0.00 33.50 32.02 1scf n PRO 23 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1scf h LYS 24 N 3.58 0.00 -0.66 -0.52 1.57 -1.95 -2.41 116.57 116.17 1scf h LYS 24 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1scf h LYS 24 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1scf h LYS 24 CO 0.69 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1scf n ASP 25 N -4.15 4.40 -2.53 0.86 5.75 -1.26 -4.66 116.55 114.97 1scf n ASP 25 Ca -0.03 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 1scf n ASP 25 Cb 0.16 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1scf n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1scf n TYR 26 N 1.14 -1.97 -3.64 2.11 9.36 -0.91 -5.08 117.16 118.18 1scf n TYR 26 Ca 0.24 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.40 1scf n TYR 26 Cb 0.81 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.45 1scf n TYR 26 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1scf s ILE 28 N -0.49 0.00 -0.07 2.97 1.01 0.21 -3.86 121.20 120.96 1scf s ILE 28 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.41 1scf s ILE 28 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1scf s ILE 28 CO 0.00 0.00 0.72 -0.89 0.00 0.00 0.00 174.94 174.77 1scf s THR 29 N 1.19 5.03 -0.03 2.92 2.01 -1.26 -1.38 115.64 124.12 1scf s THR 29 Ca -0.07 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.43 1scf s THR 29 Cb -0.04 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1scf s THR 29 CO -0.14 0.23 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.76 1scf s LEU 30 N 0.90 1.54 -0.62 4.42 2.96 -0.71 -4.69 118.68 122.49 1scf s LEU 30 Ca 0.38 -0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.93 1scf s LEU 30 Cb -0.18 -0.35 0.04 0.00 0.50 0.00 0.00 46.19 46.20 1scf s LEU 30 CO 0.18 -0.02 1.12 -0.54 -1.32 0.00 0.00 176.35 175.77 1scf s LYS 31 N 0.55 3.34 -0.04 1.98 1.02 -1.26 -1.63 119.74 123.70 1scf s LYS 31 Ca -0.07 -0.13 -0.15 0.00 0.02 0.00 0.00 55.97 55.64 1scf s LYS 31 Cb -0.10 -4.09 -0.05 0.00 -0.52 0.00 0.00 37.83 33.07 1scf s LYS 31 CO -0.00 -1.75 0.41 -0.47 -0.92 0.00 0.00 175.35 172.61 1scf s TYR 32 N 4.76 3.66 -0.57 3.18 5.04 -1.19 -4.81 117.35 127.41 1scf s TYR 32 Ca 0.35 0.93 -0.24 0.00 -2.44 0.00 0.00 57.07 55.67 1scf s TYR 32 Cb -0.10 -2.34 0.04 0.00 0.35 0.00 0.00 41.96 39.91 1scf s TYR 32 CO 0.19 0.51 0.95 0.08 -1.34 0.00 0.00 175.55 175.95 1scf s VAL 33 N -0.59 4.37 0.38 3.14 1.01 -1.26 -4.16 120.40 123.29 1scf s VAL 33 Ca 0.23 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 1scf s VAL 33 Cb -0.16 -4.56 -0.11 0.00 0.00 0.00 0.00 36.38 31.55 1scf s VAL 33 CO 0.12 -1.17 1.32 -2.65 0.00 0.00 0.00 175.10 172.73 1scf n PRO 34 N 7.52 2.16 -1.23 2.72 -0.02 -1.26 -4.79 135.00 140.10 1scf n PRO 34 Ca 0.01 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1scf n PRO 34 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1scf n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1scf n GLY 35 N 0.72 -1.25 2.59 -1.23 0.00 -1.26 -5.03 105.19 99.73 1scf n GLY 35 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1scf n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1scf n ASP 37 N -0.24 0.00 0.04 1.61 5.68 -1.26 -1.84 116.55 120.55 1scf n ASP 37 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1scf n ASP 37 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1scf n ASP 37 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1scf h VAL 38 N 0.00 1.17 -4.16 2.12 -1.51 -1.99 -3.48 116.25 108.40 1scf h VAL 38 Ca 0.00 -2.88 -0.50 0.00 -1.23 0.00 0.00 66.70 62.09 1scf h VAL 38 Cb 0.00 2.69 0.04 0.00 -2.13 0.00 0.00 31.29 31.89 1scf h VAL 38 CO 0.00 0.78 0.34 -0.76 -1.23 0.00 0.00 177.57 176.70 1scf s LEU 39 N -6.73 3.43 0.42 4.19 1.43 -0.76 -5.05 118.68 115.60 1scf s LEU 39 Ca -0.07 1.37 -0.24 0.00 -1.03 0.00 0.00 54.13 54.16 1scf s LEU 39 Cb 0.08 -4.36 -0.09 0.00 0.03 0.00 0.00 46.19 41.85 1scf s LEU 39 CO 0.84 -0.72 1.07 -2.16 0.23 0.00 0.00 176.35 175.61 1scf s PRO 40 N -4.74 4.06 0.32 1.29 0.04 -1.26 -4.96 135.00 129.76 1scf s PRO 40 Ca 0.55 1.56 0.06 0.00 0.04 0.00 0.00 61.00 63.20 1scf s PRO 40 Cb -0.11 -2.49 0.89 0.00 0.04 0.00 0.00 34.50 32.83 1scf s PRO 40 CO 0.45 -0.24 1.57 0.43 0.04 0.00 0.00 177.00 179.25 1scf n SER 41 N -0.21 -0.02 0.23 6.66 7.64 -1.26 -1.26 113.62 125.40 1scf n SER 41 Ca 0.06 1.69 0.14 0.00 1.01 0.00 0.00 58.87 61.76 1scf n SER 41 Cb 0.49 -0.66 0.73 0.00 -1.01 0.00 0.00 64.21 63.77 1scf n SER 41 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1scf h HIS 42 N 0.00 0.00 0.00 1.43 2.07 -1.94 0.12 115.15 116.83 1scf h HIS 42 Ca 0.66 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.18 1scf h HIS 42 Cb 1.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.44 1scf h HIS 42 CO -0.40 0.00 -0.53 0.00 -3.07 0.00 0.00 177.93 173.93 1scf n TRP 44 N -2.14 0.00 -0.02 0.00 4.27 -0.59 -4.97 117.44 113.98 1scf n TRP 44 Ca 0.04 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.67 1scf n TRP 44 Cb 0.44 0.00 0.38 0.00 -1.36 0.00 0.00 31.31 30.77 1scf n TRP 44 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 1scf h ILE 45 N 0.00 1.13 0.06 -1.67 6.09 -1.07 -3.08 117.51 118.97 1scf h ILE 45 Ca 0.00 -0.33 -0.24 0.00 -1.37 0.00 0.00 64.86 62.92 1scf h ILE 45 Cb 0.00 0.54 -0.01 0.00 0.47 0.00 0.00 36.82 37.83 1scf h ILE 45 CO 0.00 0.15 -1.07 0.77 -3.07 0.00 0.00 178.15 174.93 1scf h SER 46 N 0.60 0.33 0.00 2.19 4.64 -1.90 -1.73 113.55 117.67 1scf h SER 46 Ca 0.16 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1scf h SER 46 Cb 0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1scf h SER 46 CO -0.03 1.19 0.00 1.21 -0.87 0.00 0.00 176.83 178.33 1scf n GLU 47 N -3.57 0.66 0.00 4.77 4.07 -1.16 -3.00 120.64 122.40 1scf n GLU 47 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1scf n GLU 47 Cb 0.93 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 1scf n GLU 47 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1scf n VAL 49 N 1.04 0.00 -0.13 6.31 0.24 -0.65 -1.19 118.33 123.94 1scf n VAL 49 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1scf n VAL 49 Cb 0.33 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1scf n VAL 49 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1scf h VAL 50 N 0.00 1.22 -0.20 3.34 2.07 -1.81 -0.38 116.25 120.49 1scf h VAL 50 Ca 0.00 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1scf h VAL 50 Cb 0.00 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1scf h VAL 50 CO 0.00 0.25 -0.22 1.56 0.02 0.00 0.00 177.57 179.18 1scf h GLN 51 N 0.47 0.37 -0.18 1.57 1.08 -1.46 -2.88 115.11 114.08 1scf h GLN 51 Ca 0.12 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1scf h GLN 51 Cb 0.27 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1scf h GLN 51 CO -0.00 0.58 -0.25 -0.07 -0.95 0.00 0.00 178.83 178.14 1scf h LEU 52 N 0.33 0.53 -0.88 1.46 3.38 -1.80 -2.64 115.31 115.69 1scf h LEU 52 Ca 0.05 -0.51 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1scf h LEU 52 Cb 0.58 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1scf h LEU 52 CO 0.04 0.94 0.54 -1.28 0.09 0.00 0.00 178.44 178.77 1scf h SER 53 N 0.14 0.82 0.05 -0.43 0.87 -1.02 -1.15 113.55 112.84 1scf h SER 53 Ca 0.02 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1scf h SER 53 Cb 0.81 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1scf h SER 53 CO 0.06 0.50 -0.03 -0.78 -0.53 0.00 0.00 176.83 176.05 1scf h ASP 54 N 0.94 -0.06 -0.46 6.23 1.82 -1.48 0.38 116.42 123.80 1scf h ASP 54 Ca 0.41 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.93 1scf h ASP 54 Cb 0.28 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1scf h ASP 54 CO -0.21 -0.03 -0.10 0.28 -1.61 0.00 0.00 179.24 177.57 1scf h SER 55 N -0.09 0.88 0.22 2.28 0.02 -1.29 -0.80 113.55 114.77 1scf h SER 55 Ca -0.01 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 1scf h SER 55 Cb 0.07 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1scf h SER 55 CO 0.01 1.03 -0.45 -0.07 -1.14 0.00 0.00 176.83 176.22 1scf h LEU 56 N 0.71 0.30 -0.47 5.07 3.38 -1.05 0.20 115.31 123.46 1scf h LEU 56 Ca 0.12 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1scf h LEU 56 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1scf h LEU 56 CO 0.04 0.71 -0.65 0.74 0.09 0.00 0.00 178.44 179.37 1scf h THR 57 N 0.23 1.36 -0.29 0.22 2.02 -0.57 -0.30 112.91 115.57 1scf h THR 57 Ca 0.02 -1.99 -0.13 0.00 0.77 0.00 0.00 66.41 65.08 1scf h THR 57 Cb 0.88 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1scf h THR 57 CO 0.07 0.61 -0.34 0.44 0.37 0.00 0.00 175.52 176.67 1scf h ASP 58 N 0.32 0.67 -0.49 4.18 3.32 -1.04 -3.18 116.42 120.20 1scf h ASP 58 Ca -0.02 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1scf h ASP 58 Cb 1.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1scf h ASP 58 CO 0.12 0.96 0.13 0.25 -1.72 0.00 0.00 179.24 178.97 1scf h LEU 59 N 0.54 0.74 -1.70 1.55 5.85 -0.21 -2.82 115.31 119.26 1scf h LEU 59 Ca 0.06 -0.23 0.19 0.00 0.84 0.00 0.00 57.88 58.74 1scf h LEU 59 Cb 0.85 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1scf h LEU 59 CO 0.07 0.78 0.55 0.25 -0.34 0.00 0.00 178.44 179.75 1scf h LEU 60 N 0.67 0.26 -0.00 2.25 5.85 -1.05 -0.98 115.31 122.31 1scf h LEU 60 Ca 0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1scf h LEU 60 Cb 0.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1scf h LEU 60 CO 0.00 0.11 0.00 -0.67 -0.34 0.00 0.00 178.44 177.54 1scf n ASP 61 N -4.43 0.02 -0.22 1.25 2.03 -1.07 -2.65 116.55 111.48 1scf n ASP 61 Ca 0.16 0.50 0.13 0.00 0.52 0.00 0.00 54.79 56.11 1scf n ASP 61 Cb 0.69 -0.51 0.41 0.00 -0.72 0.00 0.00 41.12 40.99 1scf n ASP 61 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1scf n LYS 62 N -1.51 0.80 -4.52 -0.67 4.76 -0.37 -4.90 118.16 111.75 1scf n LYS 62 Ca 0.06 -0.45 -0.25 0.00 -2.87 0.00 0.00 58.31 54.79 1scf n LYS 62 Cb 0.28 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.88 1scf n LYS 62 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1scf s PHE 63 N -2.51 2.35 0.12 2.13 0.08 -1.08 -5.12 117.98 113.94 1scf s PHE 63 Ca 0.25 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.86 1scf s PHE 63 Cb 0.19 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1scf s PHE 63 CO 0.52 0.61 -0.06 -1.54 -0.10 0.00 0.00 175.22 174.65 1scf s SER 64 N -3.57 1.27 0.70 1.36 1.04 -1.26 -4.94 113.70 108.30 1scf s SER 64 Ca 0.32 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 1scf s SER 64 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1scf s SER 64 CO 0.16 -0.46 1.20 0.20 0.98 0.00 0.00 173.24 175.32 1scf s ASN 65 N -3.09 4.41 0.27 7.02 0.01 -1.26 -4.58 114.94 117.73 1scf s ASN 65 Ca 0.15 2.35 0.08 0.00 -0.71 0.00 0.00 52.86 54.73 1scf s ASN 65 Cb 0.05 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 1scf s ASN 65 CO -0.02 -2.12 -0.11 0.27 -1.51 0.00 0.00 177.10 173.61 1scf s ILE 66 N -1.93 1.94 0.42 0.60 -4.36 -1.26 -5.06 121.20 111.54 1scf s ILE 66 Ca 0.75 -2.21 0.14 0.00 -0.26 0.00 0.00 60.65 59.06 1scf s ILE 66 Cb -0.29 -2.37 0.15 0.00 1.25 0.00 0.00 42.46 41.20 1scf s ILE 66 CO 0.43 -0.37 1.93 0.77 0.24 0.00 0.00 174.94 177.94 1scf h SER 67 N 2.29 0.01 -3.10 4.36 4.64 -2.00 -3.45 113.55 116.30 1scf h SER 67 Ca -0.40 -0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.08 1scf h SER 67 Cb 1.24 -0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.05 1scf h SER 67 CO 0.65 0.26 0.77 -1.83 -0.87 0.00 0.00 176.83 175.81 1scf s GLU 68 N -4.49 0.25 0.00 4.77 1.03 -1.26 -5.17 118.70 113.83 1scf s GLU 68 Ca -0.04 0.14 0.00 0.00 0.03 0.00 0.00 54.97 55.11 1scf s GLU 68 Cb 0.15 0.12 0.00 0.00 -0.80 0.00 0.00 34.13 33.60 1scf s GLU 68 CO 0.71 -0.06 0.00 0.41 -1.33 0.00 0.00 175.26 174.99 1scf n GLY 69 N 1.09 -0.01 3.69 -3.83 0.00 -1.26 -4.97 105.19 99.90 1scf n GLY 69 Ca -0.07 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1scf n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1scf s LEU 70 N 0.00 4.33 -0.09 0.99 0.20 -1.26 -4.99 118.68 117.86 1scf s LEU 70 Ca 0.00 2.23 -0.01 0.00 0.69 0.00 0.00 54.13 57.05 1scf s LEU 70 Cb 0.00 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.23 1scf s LEU 70 CO 0.00 -0.79 -0.04 -0.55 -0.29 0.00 0.00 176.35 174.67 1scf s SER 71 N 2.18 1.85 0.22 3.68 0.15 -1.26 -5.01 113.70 115.51 1scf s SER 71 Ca 0.68 -0.20 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 1scf s SER 71 Cb -0.34 -0.65 0.20 0.00 -1.71 0.00 0.00 66.02 63.52 1scf s SER 71 CO 0.28 -0.14 1.74 0.78 1.20 0.00 0.00 173.24 177.10 1scf h ASN 72 N 8.14 0.97 -0.01 5.45 2.35 -1.94 -2.59 115.58 127.95 1scf h ASN 72 Ca -0.26 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1scf h ASN 72 Cb 1.13 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.19 1scf h ASN 72 CO 0.35 0.96 -0.44 0.22 -1.65 0.00 0.00 177.43 176.87 1scf h TYR 73 N 0.97 -1.25 -0.55 1.19 3.20 -1.92 -0.81 116.97 117.80 1scf h TYR 73 Ca 0.20 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1scf h TYR 73 Cb 0.39 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 1scf h TYR 73 CO 0.03 -0.51 0.31 0.77 -1.64 0.00 0.00 178.16 177.12 1scf h SER 74 N -0.59 0.66 -0.18 -2.11 0.02 -1.88 -0.46 113.55 109.02 1scf h SER 74 Ca 0.04 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1scf h SER 74 Cb 0.66 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1scf h SER 74 CO -0.33 0.52 -0.08 0.40 -1.14 0.00 0.00 176.83 176.20 1scf h ILE 75 N 0.76 1.31 -0.28 3.27 2.04 -1.19 -2.46 117.51 120.95 1scf h ILE 75 Ca 0.20 -1.12 -0.18 0.00 1.00 0.00 0.00 64.86 64.76 1scf h ILE 75 Cb -0.00 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1scf h ILE 75 CO -0.03 0.33 -0.54 0.40 0.00 0.00 0.00 178.15 178.31 1scf h ILE 76 N 0.05 1.28 -0.89 -0.67 2.04 -0.92 -2.57 117.51 115.84 1scf h ILE 76 Ca 0.04 -1.73 0.05 0.00 1.00 0.00 0.00 64.86 64.22 1scf h ILE 76 Cb 0.55 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1scf h ILE 76 CO 0.02 0.56 0.57 -0.78 0.00 0.00 0.00 178.15 178.52 1scf h ASP 77 N 0.65 0.92 0.12 1.72 3.58 -1.11 0.23 116.42 122.53 1scf h ASP 77 Ca 0.02 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 1scf h ASP 77 Cb 1.14 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1scf h ASP 77 CO 0.12 0.61 -0.26 0.11 -2.88 0.00 0.00 179.24 176.94 1scf h LYS 78 N 1.07 0.23 -0.13 0.28 1.57 -1.33 -1.90 116.57 116.36 1scf h LYS 78 Ca 0.37 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.90 1scf h LYS 78 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1scf h LYS 78 CO -0.14 0.48 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.52 1scf h LEU 79 N 0.21 0.55 -0.34 2.94 3.38 -0.71 -2.91 115.31 118.43 1scf h LEU 79 Ca 0.03 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1scf h LEU 79 Cb 0.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1scf h LEU 79 CO 0.04 1.04 0.09 0.58 0.09 0.00 0.00 178.44 180.28 1scf h VAL 80 N 0.35 1.22 -0.08 1.22 2.07 -0.37 -2.47 116.25 118.20 1scf h VAL 80 Ca -0.01 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1scf h VAL 80 Cb 1.18 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1scf h VAL 80 CO 0.11 0.25 -0.13 0.78 0.02 0.00 0.00 177.57 178.60 1scf h ASN 81 N 0.40 0.11 -0.49 0.57 2.35 -1.32 -1.12 115.58 116.09 1scf h ASN 81 Ca 0.11 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1scf h ASN 81 Cb 0.29 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1scf h ASN 81 CO 0.00 0.26 0.05 0.40 -1.65 0.00 0.00 177.43 176.49 1scf h ILE 82 N 0.11 1.25 0.00 2.81 2.04 -1.29 -2.60 117.51 119.84 1scf h ILE 82 Ca 0.02 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1scf h ILE 82 Cb 0.30 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1scf h ILE 82 CO 0.02 0.35 -0.27 0.58 0.00 0.00 0.00 178.15 178.83 1scf h VAL 83 N 0.70 0.57 -0.15 1.67 2.07 -1.01 -2.44 116.25 117.66 1scf h VAL 83 Ca 0.15 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1scf h VAL 83 Cb 0.44 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1scf h VAL 83 CO 0.01 0.26 -0.11 0.44 0.02 0.00 0.00 177.57 178.19 1scf h ASP 84 N 0.00 0.36 0.04 0.57 3.32 -1.21 -0.08 116.42 119.42 1scf h ASP 84 Ca -0.00 -0.45 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1scf h ASP 84 Cb 0.90 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.30 1scf h ASP 84 CO 0.03 0.74 -0.34 0.44 -1.72 0.00 0.00 179.24 178.39 1scf h ASP 85 N -0.01 -1.02 0.04 6.45 3.32 -1.31 -2.03 116.42 121.87 1scf h ASP 85 Ca 0.03 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1scf h ASP 85 Cb 0.62 0.40 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1scf h ASP 85 CO 0.03 -0.41 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.01 1scf h LEU 86 N -0.52 0.06 -0.72 1.55 3.38 -1.45 -0.52 115.31 117.09 1scf h LEU 86 Ca 0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1scf h LEU 86 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1scf h LEU 86 CO -0.26 0.14 -0.28 0.58 0.09 0.00 0.00 178.44 178.71 1scf h VAL 87 N 0.07 1.28 0.00 1.22 2.07 -0.73 -2.97 116.25 117.18 1scf h VAL 87 Ca 0.02 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 1scf h VAL 87 Cb 0.16 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1scf h VAL 87 CO 0.01 0.45 -0.29 -0.33 0.02 0.00 0.00 177.57 177.44 1scf h GLU 88 N 0.58 0.00 -0.34 1.57 5.08 -0.53 -2.82 114.58 118.12 1scf h GLU 88 Ca 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1scf h GLU 88 Cb 0.77 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1scf h GLU 88 CO 0.06 0.29 -0.14 0.00 -1.00 0.00 0.00 179.01 178.22 1scf n VAL 90 N -4.17 0.00 -4.40 0.00 3.14 -1.07 -5.10 118.33 106.73 1scf n VAL 90 Ca 0.01 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.19 1scf n VAL 90 Cb 0.35 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.03 1scf n VAL 90 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1scf s SER 104 N -1.12 2.05 0.09 6.55 0.15 -1.26 -5.07 113.70 115.09 1scf s SER 104 Ca 0.00 -1.33 0.05 0.00 0.70 0.00 0.00 55.95 55.37 1scf s SER 104 Cb 0.00 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1scf s SER 104 CO 0.00 -0.59 -0.01 -2.16 1.20 0.00 0.00 173.24 171.67 1scf s PRO 105 N -3.90 2.51 0.20 5.44 0.04 -1.26 -5.07 135.00 132.95 1scf s PRO 105 Ca 0.35 -0.85 -0.12 0.00 0.04 0.00 0.00 61.00 60.41 1scf s PRO 105 Cb 0.08 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1scf s PRO 105 CO 0.13 0.54 0.57 -1.83 0.04 0.00 0.00 177.00 176.45 1scf s GLU 106 N -2.25 3.91 0.19 4.56 1.03 -1.26 -4.70 118.70 120.19 1scf s GLU 106 Ca 0.25 0.42 -0.33 0.00 0.03 0.00 0.00 54.97 55.34 1scf s GLU 106 Cb -0.12 -2.77 -0.13 0.00 -0.80 0.00 0.00 34.13 30.31 1scf s GLU 106 CO 0.17 0.39 1.54 -2.30 -1.33 0.00 0.00 175.26 173.73 1scf n PRO 107 N 0.32 2.18 -4.03 -4.83 -0.02 -1.26 -3.19 135.00 124.17 1scf n PRO 107 Ca -0.02 0.78 -0.11 0.00 -2.02 0.00 0.00 63.50 62.13 1scf n PRO 107 Cb 0.52 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 1scf n PRO 107 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1scf s ARG 108 N 0.47 0.45 -0.19 -0.52 3.52 -0.64 -4.97 118.95 117.06 1scf s ARG 108 Ca 0.75 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 1scf s ARG 108 Cb -0.65 -0.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.60 1scf s ARG 108 CO 0.41 0.00 0.05 -0.51 -0.81 0.00 0.00 175.30 174.45 1scf s LEU 109 N -1.60 3.70 0.03 -0.88 1.43 -1.26 -1.74 118.68 118.35 1scf s LEU 109 Ca -0.12 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1scf s LEU 109 Cb -0.09 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1scf s LEU 109 CO -0.01 0.15 -0.21 -0.36 0.23 0.00 0.00 176.35 176.15 1scf s PHE 110 N 0.54 1.87 0.88 0.29 0.08 -0.48 -4.94 117.98 116.22 1scf s PHE 110 Ca 0.02 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.59 1scf s PHE 110 Cb -0.13 -1.13 0.12 0.00 -0.57 0.00 0.00 43.02 41.31 1scf s PHE 110 CO 0.01 0.07 1.09 0.95 -0.10 0.00 0.00 175.22 177.24 1scf s THR 111 N -0.73 2.69 0.15 0.64 -4.23 -1.26 -0.62 115.64 112.28 1scf s THR 111 Ca 0.08 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 1scf s THR 111 Cb -0.09 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.03 1scf s THR 111 CO 0.01 -0.29 1.65 -0.65 -0.54 0.00 0.00 174.62 174.80 1scf h PRO 112 N -1.47 -0.14 -0.90 3.99 0.11 -1.83 -0.19 132.00 131.56 1scf h PRO 112 Ca -0.49 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.73 1scf h PRO 112 Cb 1.28 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.36 1scf h PRO 112 CO 0.56 -0.10 0.58 1.05 -0.21 0.00 0.00 178.00 179.88 1scf h GLU 113 N -0.15 0.84 -0.08 1.05 4.11 -1.93 0.42 114.58 118.84 1scf h GLU 113 Ca 0.15 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.49 1scf h GLU 113 Cb 0.38 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1scf h GLU 113 CO -0.37 0.56 -0.12 0.93 0.07 0.00 0.00 179.01 180.07 1scf h GLU 114 N 0.87 0.22 -0.33 1.06 5.08 -1.86 -1.11 114.58 118.50 1scf h GLU 114 Ca 0.43 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1scf h GLU 114 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1scf h GLU 114 CO -0.19 0.70 0.19 0.35 -1.00 0.00 0.00 179.01 179.06 1scf h PHE 115 N -0.25 0.36 0.00 4.33 3.57 -0.68 -2.59 116.94 121.69 1scf h PHE 115 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1scf h PHE 115 Cb 0.68 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1scf h PHE 115 CO 0.10 0.21 0.00 0.74 -2.23 0.00 0.00 178.31 177.14 1scf h PHE 116 N 0.39 0.00 -0.34 0.41 0.04 -0.97 -0.14 116.94 116.34 1scf h PHE 116 Ca 0.13 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 1scf h PHE 116 Cb -0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1scf h PHE 116 CO -0.07 0.00 -0.28 -0.09 -0.60 0.00 0.00 178.31 177.27 1scf h ARG 117 N 0.00 0.70 -0.18 1.51 2.43 -1.03 -1.61 114.38 116.21 1scf h ARG 117 Ca 0.00 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.82 1scf h ARG 117 Cb 0.79 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1scf h ARG 117 CO 0.00 0.90 -0.09 0.82 -1.51 0.00 0.00 179.97 180.08 1scf h ILE 118 N 0.60 1.31 -0.49 1.20 2.04 -1.13 -0.57 117.51 120.47 1scf h ILE 118 Ca 0.08 -1.15 0.09 0.00 1.00 0.00 0.00 64.86 64.87 1scf h ILE 118 Cb 0.78 1.69 -0.10 0.00 -0.74 0.00 0.00 36.82 38.45 1scf h ILE 118 CO 0.06 0.35 -0.31 0.15 0.00 0.00 0.00 178.15 178.40 1scf h PHE 119 N 0.06 -0.85 -0.65 1.37 3.57 -1.05 0.04 116.94 119.42 1scf h PHE 119 Ca 0.04 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1scf h PHE 119 Cb 0.58 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1scf h PHE 119 CO 0.07 -0.37 0.27 -0.91 -2.23 0.00 0.00 178.31 175.14 1scf h ASN 120 N -0.19 0.90 -0.79 0.41 2.35 -1.22 -1.07 115.58 115.97 1scf h ASN 120 Ca 0.21 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1scf h ASN 120 Cb 0.53 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 1scf h ASN 120 CO -0.60 0.82 0.38 -0.09 -1.65 0.00 0.00 177.43 176.28 1scf h ARG 121 N 0.92 1.13 -0.20 0.81 9.65 -0.66 -2.53 114.38 123.51 1scf h ARG 121 Ca 0.22 -0.17 -0.14 0.00 -1.10 0.00 0.00 59.98 58.79 1scf h ARG 121 Cb 0.19 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 1scf h ARG 121 CO -0.02 0.88 -0.44 0.77 2.80 0.00 0.00 179.97 183.96 1scf h SER 122 N 1.11 0.73 -0.72 -3.80 0.02 -0.62 -2.51 113.55 107.76 1scf h SER 122 Ca 0.27 -0.56 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1scf h SER 122 Cb 0.12 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1scf h SER 122 CO -0.03 1.15 0.48 0.40 -1.14 0.00 0.00 176.83 177.69 1scf h ILE 123 N 0.33 1.16 -0.32 3.27 5.03 -1.15 -2.87 117.51 122.96 1scf h ILE 123 Ca 0.00 -0.32 -0.13 0.00 -0.12 0.00 0.00 64.86 64.29 1scf h ILE 123 Cb 1.04 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 1scf h ILE 123 CO 0.10 0.17 -0.30 -0.78 -0.68 0.00 0.00 178.15 176.66 1scf h ASP 124 N 0.94 0.82 0.42 1.72 3.58 -1.32 -3.14 116.42 119.44 1scf h ASP 124 Ca 0.27 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1scf h ASP 124 Cb -0.05 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1scf h ASP 124 CO -0.07 1.12 0.00 0.00 -2.88 0.00 0.00 179.24 177.41 1scf n ALA 125 N -2.51 1.47 0.14 -0.78 0.00 -0.96 -1.62 120.51 116.26 1scf n ALA 125 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1scf n ALA 125 Cb 0.48 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.97 1scf n ALA 125 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1scf h PHE 126 N 0.00 0.15 -0.01 0.00 0.04 -1.50 -3.48 116.94 112.14 1scf h PHE 126 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1scf h PHE 126 Cb 0.21 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1scf h PHE 126 CO 0.00 0.50 0.00 1.63 -0.60 0.00 0.00 178.31 179.84