#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca n GLN 2 N 0.00 0.03 -0.82 1.43 0.00 -1.26 -5.04 117.38 111.72 1aca n GLN 2 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 57.00 56.78 1aca n GLN 2 Cb 0.00 0.20 0.33 0.00 0.00 0.00 0.00 30.24 30.77 1aca n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1aca n ALA 3 N -2.83 3.90 -0.12 2.61 0.00 -1.26 -4.31 120.51 118.51 1aca n ALA 3 Ca -0.01 -1.78 -0.11 0.00 0.00 0.00 0.00 53.44 51.54 1aca n ALA 3 Cb 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1aca n ALA 3 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1aca h GLU 4 N 3.17 0.69 -0.07 0.00 5.08 -2.00 -2.16 114.58 119.29 1aca h GLU 4 Ca 0.07 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1aca h GLU 4 Cb 1.90 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1aca h GLU 4 CO 0.50 0.85 -0.01 0.35 -1.00 0.00 0.00 179.01 179.70 1aca h PHE 5 N 0.49 0.14 -0.59 4.33 3.04 -1.92 -2.85 116.94 119.57 1aca h PHE 5 Ca 0.09 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.13 1aca h PHE 5 Cb 0.60 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 38.97 1aca h PHE 5 CO 0.05 0.43 -0.14 -0.44 -2.02 0.00 0.00 178.31 176.19 1aca h ASP 6 N -0.19 -0.53 -0.15 0.41 5.19 -1.81 0.42 116.42 119.76 1aca h ASP 6 Ca 0.02 0.17 0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1aca h ASP 6 Cb 0.38 0.36 -0.05 0.00 0.18 0.00 0.00 39.33 40.20 1aca h ASP 6 CO 0.01 -0.19 -0.38 0.50 -3.12 0.00 0.00 179.24 176.06 1aca h LYS 7 N 0.01 -0.35 -0.37 3.56 3.64 -1.28 0.33 116.57 122.12 1aca h LYS 7 Ca 0.28 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.77 1aca h LYS 7 Cb 0.44 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 1aca h LYS 7 CO -0.60 -0.23 -0.24 0.00 -2.27 0.00 0.00 179.45 176.11 1aca h ALA 8 N -0.58 -0.02 -0.88 5.00 0.00 -0.67 0.25 119.26 122.35 1aca h ALA 8 Ca 0.03 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.23 1aca h ALA 8 Cb 0.45 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1aca h ALA 8 CO -0.34 -0.63 0.45 0.00 0.00 0.00 0.00 179.25 178.73 1aca h ALA 9 N 0.97 1.37 0.25 0.00 0.00 0.94 0.26 119.26 123.06 1aca h ALA 9 Ca 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1aca h ALA 9 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1aca h ALA 9 CO -0.48 -0.16 -0.12 0.93 0.00 0.00 0.00 179.25 179.42 1aca h GLU 10 N 0.57 -0.33 -0.41 0.00 4.39 0.53 -2.61 114.58 116.72 1aca h GLU 10 Ca 0.51 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.26 1aca h GLU 10 Cb 0.80 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1aca h GLU 10 CO -0.41 0.03 -0.24 0.39 -1.16 0.00 0.00 179.01 177.61 1aca n GLU 11 N -5.02 -0.18 -0.24 2.33 1.02 0.79 -0.77 120.64 118.57 1aca n GLU 11 Ca -0.08 1.10 0.04 0.00 -0.02 0.00 0.00 57.16 58.20 1aca n GLU 11 Cb 0.26 -1.63 0.16 0.00 -0.02 0.00 0.00 31.44 30.21 1aca n GLU 11 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1aca h VAL 12 N 0.00 0.69 0.00 2.62 3.04 -0.64 0.21 116.25 122.17 1aca h VAL 12 Ca 0.07 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1aca h VAL 12 Cb 0.17 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1aca h VAL 12 CO -0.39 0.08 0.00 0.29 -1.01 0.00 0.00 177.57 176.54 1aca n LYS 13 N -4.99 0.22 -0.03 4.17 4.76 0.05 -0.89 118.16 121.45 1aca n LYS 13 Ca 0.13 0.09 0.02 0.00 -2.87 0.00 0.00 58.31 55.68 1aca n LYS 13 Cb 0.37 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.10 1aca n LYS 13 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1aca n HIS 14 N -1.13 0.06 -1.92 2.13 8.25 0.70 -5.04 115.22 118.26 1aca n HIS 14 Ca 0.06 -0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 56.54 1aca n HIS 14 Cb 0.05 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1aca n HIS 14 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aca s LEU 15 N -1.28 4.36 0.00 2.41 1.43 -0.07 -4.80 118.68 120.74 1aca s LEU 15 Ca 0.07 2.88 0.16 0.00 -1.03 0.00 0.00 54.13 56.22 1aca s LEU 15 Cb 0.05 -3.65 0.70 0.00 0.03 0.00 0.00 46.19 43.32 1aca s LEU 15 CO 0.02 -0.75 1.52 0.29 0.23 0.00 0.00 176.35 177.66 1aca n LYS 16 N 0.95 0.00 -3.44 1.70 5.02 -1.26 -4.65 118.16 116.47 1aca n LYS 16 Ca 0.02 0.22 -0.22 0.00 -2.02 0.00 0.00 58.31 56.31 1aca n LYS 16 Cb 0.40 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1aca s THR 17 N -3.00 -0.22 0.00 -0.18 2.01 -1.26 -5.08 115.64 107.91 1aca s THR 17 Ca 0.08 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1aca s THR 17 Cb 0.11 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1aca s THR 17 CO 0.30 -0.64 0.00 2.29 -0.69 0.00 0.00 174.62 175.88 1aca n LYS 18 N 4.95 0.00 -0.54 4.92 2.85 -1.26 -4.84 118.16 124.24 1aca n LYS 18 Ca 0.01 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.00 1aca n LYS 18 Cb 0.44 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.00 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1aca n PRO 19 N 0.00 -2.40 -1.68 -1.58 -0.02 -1.26 -4.81 135.00 123.25 1aca n PRO 19 Ca 0.00 -0.70 -0.47 0.00 -2.02 0.00 0.00 63.50 60.31 1aca n PRO 19 Cb 0.00 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1aca n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aca n ALA 20 N -4.68 1.07 -0.29 3.55 0.00 -1.26 -4.66 120.51 114.23 1aca n ALA 20 Ca 0.04 0.32 0.28 0.00 0.00 0.00 0.00 53.44 54.09 1aca n ALA 20 Cb 0.52 -2.47 0.52 0.00 0.00 0.00 0.00 19.45 18.02 1aca n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1aca n ASP 21 N 5.84 0.29 -0.24 0.00 9.92 -1.26 0.13 116.55 131.23 1aca n ASP 21 Ca 0.21 1.42 -0.08 0.00 -0.53 0.00 0.00 54.79 55.81 1aca n ASP 21 Cb 0.30 -0.69 0.05 0.00 -0.64 0.00 0.00 41.12 40.14 1aca n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1aca h GLU 22 N 0.00 1.12 -0.43 -1.24 5.08 -1.98 0.66 114.58 117.79 1aca h GLU 22 Ca 0.74 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.69 1aca h GLU 22 Cb 2.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 1aca h GLU 22 CO -0.64 1.02 -0.21 0.93 -1.00 0.00 0.00 179.01 179.10 1aca h GLU 23 N 1.05 0.87 0.30 2.33 5.08 0.72 -0.68 114.58 124.25 1aca h GLU 23 Ca 0.21 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1aca h GLU 23 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1aca h GLU 23 CO 0.01 1.00 -0.14 0.52 -1.00 0.00 0.00 179.01 179.39 1aca h MET 24 N 0.76 -0.39 -0.44 2.33 2.86 -0.34 0.10 114.93 119.81 1aca h MET 24 Ca 0.10 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1aca h MET 24 Cb 0.75 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 1aca h MET 24 CO 0.06 -0.23 -0.32 -0.07 1.06 0.00 0.00 176.91 177.41 1aca h LEU 25 N -0.45 -1.15 -0.24 1.22 3.38 0.70 0.34 115.31 119.12 1aca h LEU 25 Ca -0.04 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1aca h LEU 25 Cb 0.34 0.50 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 1aca h LEU 25 CO 0.07 -0.16 -0.48 0.15 0.09 0.00 0.00 178.44 178.11 1aca h PHE 26 N -0.08 -1.42 -0.18 1.13 3.04 -0.82 0.20 116.94 118.83 1aca h PHE 26 Ca 0.07 0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1aca h PHE 26 Cb 0.26 0.65 -0.06 0.00 2.56 0.00 0.00 35.95 39.37 1aca h PHE 26 CO -0.88 -0.49 -0.46 0.82 -2.02 0.00 0.00 178.31 175.27 1aca h ILE 27 N -0.47 0.00 0.22 1.41 1.08 0.77 0.22 117.51 120.75 1aca h ILE 27 Ca 0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1aca h ILE 27 Cb 0.63 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 1aca h ILE 27 CO -0.48 0.00 -0.25 0.22 -0.69 0.00 0.00 178.15 176.95 1aca h TYR 28 N -0.45 -0.65 -0.38 1.37 5.03 0.04 0.19 116.97 122.12 1aca h TYR 28 Ca 0.04 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.41 1aca h TYR 28 Cb 0.55 0.26 -0.08 0.00 1.55 0.00 0.00 36.73 39.01 1aca h TYR 28 CO -0.60 -0.36 -0.52 0.66 -1.32 0.00 0.00 178.16 176.02 1aca h SER 29 N -0.51 -1.73 0.11 -2.11 4.64 -0.07 0.10 113.55 113.98 1aca h SER 29 Ca 0.00 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1aca h SER 29 Cb 0.48 0.72 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1aca h SER 29 CO -0.07 -0.40 -0.05 0.45 -0.87 0.00 0.00 176.83 175.88 1aca h HIS 30 N -0.40 -0.13 -0.17 4.77 3.86 -0.45 -1.64 115.15 120.99 1aca h HIS 30 Ca 0.09 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 1aca h HIS 30 Cb 0.60 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.05 1aca h HIS 30 CO -0.69 -0.02 -0.43 -0.92 0.86 0.00 0.00 177.93 176.73 1aca h TYR 31 N -0.21 -1.25 0.22 2.45 3.20 -0.11 0.72 116.97 121.99 1aca h TYR 31 Ca -0.01 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1aca h TYR 31 Cb 0.17 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1aca h TYR 31 CO -0.05 -0.48 -0.26 0.87 -1.64 0.00 0.00 178.16 176.60 1aca h LYS 32 N -0.48 -0.51 -0.01 1.82 1.79 -0.79 0.14 116.57 118.53 1aca h LYS 32 Ca 0.08 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1aca h LYS 32 Cb 0.63 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 1aca h LYS 32 CO -0.43 -0.34 -0.06 0.37 -1.08 0.00 0.00 179.45 177.91 1aca h GLN 33 N -0.53 -0.10 -0.65 3.15 -0.00 -1.01 0.81 115.11 116.79 1aca h GLN 33 Ca 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 58.65 58.80 1aca h GLN 33 Cb 0.50 0.02 -0.12 0.00 0.00 0.00 0.00 27.48 27.89 1aca h GLN 33 CO -0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 178.83 178.63 1aca h ALA 34 N 0.90 0.58 0.00 3.38 0.00 -0.42 0.02 119.26 123.71 1aca h ALA 34 Ca 0.03 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1aca h ALA 34 Cb 0.14 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1aca h ALA 34 CO -0.07 -0.41 -0.78 1.79 0.00 0.00 0.00 179.25 179.78 1aca h THR 35 N 0.07 0.86 0.00 0.00 1.35 -0.65 -3.43 112.91 111.11 1aca h THR 35 Ca 0.34 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1aca h THR 35 Cb 0.55 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1aca h THR 35 CO -0.60 0.29 0.00 0.52 -0.25 0.00 0.00 175.52 175.48 1aca n VAL 36 N -4.53 0.00 0.00 6.82 0.31 0.28 -5.06 118.33 116.15 1aca n VAL 36 Ca -0.21 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 1aca n VAL 36 Cb 0.52 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1aca n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aca n GLY 37 N 1.96 1.42 3.86 2.92 0.00 -0.01 -4.98 105.19 110.36 1aca n GLY 37 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 1aca n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aca s ASP 38 N -4.00 3.98 -0.26 1.61 1.11 -1.23 -4.30 116.67 113.58 1aca s ASP 38 Ca 0.00 0.81 -0.09 0.00 0.18 0.00 0.00 52.55 53.45 1aca s ASP 38 Cb 0.00 -1.30 -0.04 0.00 1.07 0.00 0.00 42.92 42.65 1aca s ASP 38 CO 0.00 -2.24 0.14 -0.51 1.18 0.00 0.00 175.17 173.74 1aca s ILE 39 N -3.48 4.92 -0.25 0.77 2.07 -1.26 -4.95 121.20 119.02 1aca s ILE 39 Ca 0.64 0.03 0.09 0.00 -1.41 0.00 0.00 60.65 60.00 1aca s ILE 39 Cb -0.12 -3.32 0.44 0.00 0.13 0.00 0.00 42.46 39.59 1aca s ILE 39 CO 0.51 0.30 1.20 -0.46 -1.91 0.00 0.00 174.94 174.58 1aca n ASN 40 N 4.91 3.28 -4.46 4.50 0.23 -1.26 -5.05 115.26 117.41 1aca n ASN 40 Ca -0.15 -3.79 -0.29 0.00 -0.53 0.00 0.00 54.58 49.82 1aca n ASN 40 Cb 0.52 -0.43 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 1aca n ASN 40 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1aca s THR 41 N -3.88 1.00 0.56 5.53 -4.23 -1.26 -5.17 115.64 108.19 1aca s THR 41 Ca 0.44 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.04 1aca s THR 41 Cb 0.39 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.94 1aca s THR 41 CO -0.02 0.00 0.69 -1.83 -0.54 0.00 0.00 174.62 172.92 1aca s GLU 42 N -3.80 2.32 -1.01 3.99 -1.05 -1.26 -5.09 118.70 112.80 1aca s GLU 42 Ca 0.18 -1.71 -0.06 0.00 -0.15 0.00 0.00 54.97 53.23 1aca s GLU 42 Cb 0.03 -2.53 0.25 0.00 -0.44 0.00 0.00 34.13 31.45 1aca s GLU 42 CO 0.10 -0.77 0.96 0.50 0.95 0.00 0.00 175.26 177.00 1aca s ARG 43 N -4.56 3.80 0.30 -4.83 3.52 -1.26 -4.85 118.95 111.07 1aca s ARG 43 Ca 0.55 -3.23 -0.06 0.00 -0.13 0.00 0.00 55.73 52.86 1aca s ARG 43 Cb -0.05 -4.30 -0.05 0.00 -1.56 0.00 0.00 34.95 28.99 1aca s ARG 43 CO 0.35 -1.25 -0.31 -2.30 -0.81 0.00 0.00 175.30 170.98 1aca n PRO 44 N 2.57 0.00 0.00 5.12 -0.02 -1.26 -4.79 135.00 136.62 1aca n PRO 44 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1aca n PRO 44 Cb 0.38 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 1aca n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aca n GLY 45 N 1.06 0.06 0.26 -1.23 0.00 -1.26 -4.24 105.19 99.85 1aca n GLY 45 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1aca n GLY 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1aca n MET 46 N -2.14 -0.06 -2.56 1.61 0.00 -1.26 0.08 117.12 112.79 1aca n MET 46 Ca 0.00 1.14 -0.20 0.00 0.00 0.00 0.00 57.70 58.64 1aca n MET 46 Cb 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 33.22 31.50 1aca n MET 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1aca n LEU 47 N -5.16 3.38 0.00 3.17 7.99 -1.26 -5.02 117.00 120.10 1aca n LEU 47 Ca 0.13 -4.62 0.00 0.00 -0.01 0.00 0.00 56.01 51.51 1aca n LEU 47 Cb 0.42 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 1aca n LEU 47 CO -0.08 1.97 0.10 -0.90 -1.51 0.00 0.00 177.39 176.97 1aca n ASP 48 N -0.31 0.00 -0.19 -1.43 5.68 0.11 -0.13 116.55 120.29 1aca n ASP 48 Ca 0.27 0.20 0.06 0.00 -0.50 0.00 0.00 54.79 54.82 1aca n ASP 48 Cb 0.72 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.82 1aca n ASP 48 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 1aca n PHE 49 N -0.49 0.27 0.09 2.11 -1.74 -1.26 0.34 117.46 116.78 1aca n PHE 49 Ca 0.00 0.65 -0.03 0.00 -0.56 0.00 0.00 57.45 57.50 1aca n PHE 49 Cb 0.00 -0.86 -0.02 0.00 1.52 0.00 0.00 39.48 40.13 1aca n PHE 49 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1aca h LYS 50 N 0.00 -0.22 -0.89 3.97 3.64 -1.78 0.35 116.57 121.64 1aca h LYS 50 Ca 0.29 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.84 1aca h LYS 50 Cb 0.53 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.24 1aca h LYS 50 CO -0.53 -0.14 -0.33 0.78 -2.27 0.00 0.00 179.45 176.96 1aca h GLY 51 N -0.25 0.24 0.28 5.01 0.00 0.33 0.24 103.07 108.91 1aca h GLY 51 Ca -0.02 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 1aca h GLY 51 CO 0.04 -0.25 -0.14 0.50 0.00 0.00 0.00 176.54 176.69 1aca h LYS 52 N -0.03 -0.37 -0.57 4.80 6.56 -0.12 -0.86 116.57 125.98 1aca h LYS 52 Ca 0.36 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 60.05 1aca h LYS 52 Cb 0.61 0.08 -0.09 0.00 -0.57 0.00 0.00 32.23 32.27 1aca h LYS 52 CO -0.92 -0.24 -0.25 0.00 -2.06 0.00 0.00 179.45 175.98 1aca n ALA 53 N -2.23 -0.15 0.08 3.86 0.00 0.12 0.84 120.51 123.04 1aca n ALA 53 Ca -0.05 0.55 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 1aca n ALA 53 Cb 0.15 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1aca n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1aca h LYS 54 N 0.00 -0.58 0.06 0.00 1.57 -0.48 0.42 116.57 117.56 1aca h LYS 54 Ca 0.17 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1aca h LYS 54 Cb 0.31 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1aca h LYS 54 CO -0.56 -0.39 -0.10 2.35 -0.57 0.00 0.00 179.45 180.18 1aca h TRP 55 N -0.61 -0.28 -0.61 -1.35 7.01 0.18 0.28 115.95 120.58 1aca h TRP 55 Ca -0.00 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1aca h TRP 55 Cb 0.62 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.72 1aca h TRP 55 CO -0.44 -0.12 -0.36 -0.25 -2.79 0.00 0.00 178.44 174.48 1aca n ASP 56 N -2.95 -0.64 -0.35 2.65 9.92 0.25 0.38 116.55 125.80 1aca n ASP 56 Ca -0.02 1.43 0.13 0.00 -0.53 0.00 0.00 54.79 55.80 1aca n ASP 56 Cb 0.08 -0.31 0.32 0.00 -0.64 0.00 0.00 41.12 40.57 1aca n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1aca h ALA 57 N -0.04 1.66 0.05 2.24 0.00 0.06 -2.68 119.26 120.55 1aca h ALA 57 Ca 0.10 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1aca h ALA 57 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1aca h ALA 57 CO -0.57 -0.06 -0.31 2.35 0.00 0.00 0.00 179.25 180.66 1aca h TRP 58 N 0.75 0.20 -0.73 0.00 7.01 0.19 -3.27 115.95 120.10 1aca h TRP 58 Ca 0.58 -0.15 0.21 0.00 2.11 0.00 0.00 58.89 61.65 1aca h TRP 58 Cb 0.91 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 1aca h TRP 58 CO -0.01 1.12 0.94 -0.97 -2.79 0.00 0.00 178.44 176.73 1aca h ASN 59 N -0.77 0.00 -0.20 2.65 -1.24 0.20 0.92 115.58 117.15 1aca h ASN 59 Ca -0.06 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.76 1aca h ASN 59 Cb 1.24 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.30 1aca h ASN 59 CO 0.05 0.00 -0.65 -0.08 -1.29 0.00 0.00 177.43 175.46 1aca h GLU 60 N 0.00 0.79 0.00 6.67 4.22 -1.53 -3.25 114.58 121.47 1aca h GLU 60 Ca 0.35 -0.59 -0.09 0.00 0.08 0.00 0.00 59.36 59.11 1aca h GLU 60 Cb 2.21 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.55 1aca h GLU 60 CO -0.00 1.20 -0.77 -0.07 -2.18 0.00 0.00 179.01 177.19 1aca h LEU 61 N 0.53 0.00 0.00 1.64 3.38 0.64 -3.42 115.31 118.07 1aca h LEU 61 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1aca h LEU 61 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1aca h LEU 61 CO 0.14 0.36 0.00 1.17 0.09 0.00 0.00 178.44 180.20 1aca n LYS 62 N -3.02 0.00 -1.00 1.13 4.81 -0.05 0.14 118.16 120.17 1aca n LYS 62 Ca -0.01 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.22 1aca n LYS 62 Cb 0.70 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.88 1aca n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aca n GLY 63 N -0.62 4.23 4.03 3.14 0.00 -1.26 -3.54 105.19 111.16 1aca n GLY 63 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1aca n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aca s THR 64 N -2.85 2.04 -0.16 2.61 -1.32 0.37 -5.06 115.64 111.26 1aca s THR 64 Ca 0.46 -0.90 -0.16 0.00 -1.21 0.00 0.00 61.69 59.89 1aca s THR 64 Cb 0.38 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1aca s THR 64 CO 0.06 0.00 0.38 -0.94 -2.21 0.00 0.00 174.62 171.92 1aca s SER 65 N -4.73 6.50 0.36 8.08 1.04 -1.26 -4.94 113.70 118.76 1aca s SER 65 Ca 0.64 0.59 0.14 0.00 0.48 0.00 0.00 55.95 57.81 1aca s SER 65 Cb -0.05 -2.23 1.00 0.00 0.10 0.00 0.00 66.02 64.85 1aca s SER 65 CO 0.41 0.01 1.75 0.11 0.98 0.00 0.00 173.24 176.50 1aca h LYS 66 N 6.95 0.47 0.25 4.02 1.57 -1.86 -0.37 116.57 127.60 1aca h LYS 66 Ca -0.39 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 1aca h LYS 66 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1aca h LYS 66 CO 0.74 0.31 -0.12 0.93 -0.57 0.00 0.00 179.45 180.74 1aca h GLU 67 N 0.48 -0.33 -0.57 3.15 5.08 -1.90 0.22 114.58 120.71 1aca h GLU 67 Ca 0.62 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 59.04 1aca h GLU 67 Cb 1.37 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 1aca h GLU 67 CO -0.37 -0.01 0.32 -0.44 -1.00 0.00 0.00 179.01 177.51 1aca h ASP 68 N -0.67 0.48 -0.72 1.42 3.32 -1.69 0.35 116.42 118.92 1aca h ASP 68 Ca -0.03 0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.16 1aca h ASP 68 Cb 0.47 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.86 1aca h ASP 68 CO 0.06 0.33 0.30 0.00 -1.72 0.00 0.00 179.24 178.20 1aca h ALA 69 N 1.29 0.99 0.43 3.45 0.00 -1.02 0.31 119.26 124.71 1aca h ALA 69 Ca 0.25 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1aca h ALA 69 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1aca h ALA 69 CO -0.14 -0.17 -0.21 0.52 0.00 0.00 0.00 179.25 179.25 1aca h MET 70 N 0.47 -0.56 -0.56 0.00 2.86 0.30 0.77 114.93 118.21 1aca h MET 70 Ca 0.38 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 58.14 1aca h MET 70 Cb 0.52 0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 1aca h MET 70 CO -0.36 -0.35 -0.43 -0.22 1.06 0.00 0.00 176.91 176.61 1aca h LYS 71 N -0.62 -0.23 -0.29 1.72 1.63 0.45 0.43 116.57 119.67 1aca h LYS 71 Ca -0.06 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.57 1aca h LYS 71 Cb 0.47 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1aca h LYS 71 CO 0.10 -0.15 -0.54 0.00 -3.45 0.00 0.00 179.45 175.41 1aca h ALA 72 N 0.61 0.46 -0.09 5.00 0.00 -0.93 -2.03 119.26 122.27 1aca h ALA 72 Ca 0.18 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1aca h ALA 72 Cb 0.56 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1aca h ALA 72 CO -0.68 0.67 -0.47 -0.92 0.00 0.00 0.00 179.25 177.85 1aca h TYR 73 N 0.67 -1.41 -0.02 0.00 3.20 0.24 0.10 116.97 119.75 1aca h TYR 73 Ca 0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1aca h TYR 73 Cb 1.15 0.63 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1aca h TYR 73 CO 0.07 -0.48 -0.05 0.82 -1.64 0.00 0.00 178.16 176.88 1aca h ILE 74 N -0.52 0.00 -0.89 1.81 2.04 -0.26 0.27 117.51 119.95 1aca h ILE 74 Ca 0.02 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.13 1aca h ILE 74 Cb 0.60 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.51 1aca h ILE 74 CO -0.37 0.00 0.04 0.47 0.00 0.00 0.00 178.15 178.29 1aca n ASP 75 N -2.87 -0.09 -0.13 1.72 9.92 -0.77 0.10 116.55 124.44 1aca n ASP 75 Ca -0.01 1.51 -0.10 0.00 -0.53 0.00 0.00 54.79 55.66 1aca n ASP 75 Cb 0.04 -0.56 -0.01 0.00 -0.64 0.00 0.00 41.12 39.94 1aca n ASP 75 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1aca h LYS 76 N 0.00 0.66 0.12 -1.24 1.63 0.98 0.21 116.57 118.92 1aca h LYS 76 Ca 0.55 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1aca h LYS 76 Cb 1.15 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1aca h LYS 76 CO -0.83 0.73 -0.06 0.28 -3.45 0.00 0.00 179.45 176.12 1aca h VAL 77 N 0.49 0.93 -0.57 2.00 2.07 0.40 -0.43 116.25 121.15 1aca h VAL 77 Ca 0.12 -0.19 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1aca h VAL 77 Cb 0.40 1.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.13 1aca h VAL 77 CO 0.01 0.05 -0.05 -0.33 0.02 0.00 0.00 177.57 177.27 1aca h GLU 78 N -0.25 0.07 -0.05 1.57 3.07 0.16 0.37 114.58 119.52 1aca h GLU 78 Ca -0.02 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1aca h GLU 78 Cb 0.20 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 1aca h GLU 78 CO 0.03 0.05 -0.45 0.93 -1.40 0.00 0.00 179.01 178.16 1aca h GLU 79 N 0.07 -0.55 -0.52 2.33 4.39 0.20 -2.53 114.58 117.96 1aca h GLU 79 Ca 0.29 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.12 1aca h GLU 79 Cb 0.45 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 1aca h GLU 79 CO -0.52 -0.37 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.56 1aca h LEU 80 N -0.57 -1.12 -0.90 1.33 3.38 0.12 0.27 115.31 117.81 1aca h LEU 80 Ca 0.05 0.21 0.34 0.00 0.09 0.00 0.00 57.88 58.57 1aca h LEU 80 Cb 0.67 0.55 -0.12 0.00 0.09 0.00 0.00 40.66 41.84 1aca h LEU 80 CO -0.36 -0.31 0.54 1.17 0.09 0.00 0.00 178.44 179.57 1aca n LYS 81 N -5.43 -0.04 -0.09 1.13 4.81 0.78 -0.13 118.16 119.20 1aca n LYS 81 Ca 0.03 0.98 -0.14 0.00 -0.87 0.00 0.00 58.31 58.31 1aca n LYS 81 Cb 0.35 -1.85 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 1aca n LYS 81 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1aca h LYS 82 N 0.00 0.00 -0.70 1.64 3.64 -1.21 0.44 116.57 120.38 1aca h LYS 82 Ca 0.65 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 60.18 1aca h LYS 82 Cb 1.92 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.62 1aca h LYS 82 CO -0.45 0.60 -0.03 0.87 -2.27 0.00 0.00 179.45 178.16 1aca h LYS 83 N -1.00 0.08 0.00 1.90 1.57 0.15 -3.20 116.57 116.07 1aca h LYS 83 Ca -0.19 -0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.21 1aca h LYS 83 Cb 0.94 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 1aca h LYS 83 CO -0.11 0.05 -2.32 0.66 -0.57 0.00 0.00 179.45 177.16 1aca n TYR 84 N -5.35 0.00 0.00 -1.35 4.01 0.81 -5.08 117.16 110.20 1aca n TYR 84 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1aca n TYR 84 Cb 0.41 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 1aca n TYR 84 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aca n GLY 85 N 1.90 0.52 0.00 2.72 0.00 0.11 -4.86 105.19 105.59 1aca n GLY 85 Ca -0.44 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83