#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aca s GLN 2 N 0.00 1.67 0.00 1.43 0.00 -1.26 -5.03 119.66 116.47 1aca s GLN 2 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 55.36 54.19 1aca s GLN 2 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 33.01 33.54 1aca s GLN 2 CO 0.00 -0.73 1.03 0.00 0.00 0.00 0.00 175.29 175.59 1aca n ALA 3 N -0.42 2.70 -0.06 2.60 0.00 -1.26 -3.12 120.51 120.95 1aca n ALA 3 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1aca n ALA 3 Cb 0.61 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 1aca n ALA 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1aca n GLU 4 N 1.15 0.67 -0.07 0.00 4.71 -1.26 -3.66 120.64 122.18 1aca n GLU 4 Ca 0.00 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.16 56.93 1aca n GLU 4 Cb 0.34 -1.57 -0.12 0.00 -1.01 0.00 0.00 31.44 29.08 1aca n GLU 4 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1aca h PHE 5 N 0.00 0.12 -0.02 -0.32 3.04 -1.93 -2.19 116.94 115.65 1aca h PHE 5 Ca -0.36 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1aca h PHE 5 Cb 1.86 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.36 1aca h PHE 5 CO 0.00 1.47 -0.01 -0.44 -2.02 0.00 0.00 178.31 177.31 1aca h ASP 6 N -0.78 -0.03 0.02 0.41 5.19 -1.78 0.26 116.42 119.70 1aca h ASP 6 Ca -0.30 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.13 1aca h ASP 6 Cb 1.41 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.91 1aca h ASP 6 CO -0.11 -0.01 -0.12 0.50 -3.12 0.00 0.00 179.24 176.38 1aca h LYS 7 N -0.01 -0.20 -0.32 3.56 3.64 -1.74 -1.00 116.57 120.51 1aca h LYS 7 Ca 0.01 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1aca h LYS 7 Cb 0.02 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 1aca h LYS 7 CO -0.02 -0.13 -0.37 0.00 -2.27 0.00 0.00 179.45 176.65 1aca h ALA 8 N 0.74 -0.36 -1.28 5.00 0.00 -0.64 0.35 119.26 123.08 1aca h ALA 8 Ca 0.04 0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.38 1aca h ALA 8 Cb 0.25 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1aca h ALA 8 CO -0.10 -0.81 0.89 0.00 0.00 0.00 0.00 179.25 179.22 1aca h ALA 9 N 0.49 2.97 0.00 0.00 0.00 0.74 0.55 119.26 124.00 1aca h ALA 9 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1aca h ALA 9 Cb 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1aca h ALA 9 CO -0.50 -1.40 -0.45 0.93 0.00 0.00 0.00 179.25 177.83 1aca h GLU 10 N 0.10 0.00 -0.96 0.00 4.39 0.02 -2.22 114.58 115.92 1aca h GLU 10 Ca 0.66 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.47 1aca h GLU 10 Cb 2.35 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.86 1aca h GLU 10 CO -0.14 0.66 -0.50 0.93 -1.16 0.00 0.00 179.01 178.79 1aca h GLU 11 N -1.00 -0.02 -0.49 2.33 5.08 0.21 0.42 114.58 121.11 1aca h GLU 11 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1aca h GLU 11 Cb 0.82 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1aca h GLU 11 CO -0.06 -0.02 0.30 -0.24 -1.00 0.00 0.00 179.01 177.99 1aca h VAL 12 N -0.02 1.15 0.00 3.13 3.04 -0.18 -0.21 116.25 123.15 1aca h VAL 12 Ca 0.23 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1aca h VAL 12 Cb 0.49 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1aca h VAL 12 CO -0.94 0.15 0.03 0.11 -1.01 0.00 0.00 177.57 175.91 1aca h LYS 13 N 0.65 0.00 -0.69 4.17 1.57 0.41 0.18 116.57 122.87 1aca h LYS 13 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1aca h LYS 13 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1aca h LYS 13 CO -0.03 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.57 1aca n HIS 14 N -2.51 1.13 -1.99 -1.35 8.25 -0.10 -4.80 115.22 113.86 1aca n HIS 14 Ca -0.02 -0.54 -0.27 0.00 -0.26 0.00 0.00 57.72 56.63 1aca n HIS 14 Cb 0.08 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 1aca n HIS 14 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1aca n LEU 15 N 1.40 2.93 -0.07 2.41 4.77 0.62 -4.73 117.00 124.32 1aca n LEU 15 Ca 0.24 -3.10 0.06 0.00 -0.03 0.00 0.00 56.01 53.18 1aca n LEU 15 Cb 0.71 -1.72 0.09 0.00 -2.33 0.00 0.00 43.42 40.17 1aca n LEU 15 CO 0.19 -1.97 0.16 0.29 -1.33 0.00 0.00 177.39 174.73 1aca n LYS 16 N 8.22 -0.00 -3.91 3.23 4.01 -1.26 -3.48 118.16 124.96 1aca n LYS 16 Ca 0.45 0.13 -0.30 0.00 -0.51 0.00 0.00 58.31 58.08 1aca n LYS 16 Cb 0.46 -0.28 -0.14 0.00 -0.51 0.00 0.00 35.03 34.57 1aca n LYS 16 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1aca s THR 17 N -3.37 2.46 0.00 -0.18 2.01 -1.26 -5.06 115.64 110.24 1aca s THR 17 Ca -0.01 -3.38 0.00 0.00 0.31 0.00 0.00 61.69 58.62 1aca s THR 17 Cb 0.03 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1aca s THR 17 CO 0.10 -0.85 0.00 1.17 -0.69 0.00 0.00 174.62 174.35 1aca n LYS 18 N 2.97 0.00 -0.72 4.92 0.00 -1.23 -4.80 118.16 119.30 1aca n LYS 18 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.08 1aca n LYS 18 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.49 1aca n LYS 18 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1aca n PRO 19 N 0.00 -1.33 -1.67 1.64 -0.02 -1.26 -4.77 135.00 127.59 1aca n PRO 19 Ca 0.00 -0.38 -0.47 0.00 -2.02 0.00 0.00 63.50 60.63 1aca n PRO 19 Cb 0.00 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 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 -4.19 1.16 -0.32 3.55 0.00 -1.26 -4.67 120.51 114.77 1aca n ALA 20 Ca 0.01 0.40 0.19 0.00 0.00 0.00 0.00 53.44 54.03 1aca n ALA 20 Cb 0.60 -2.39 0.39 0.00 0.00 0.00 0.00 19.45 18.05 1aca n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1aca h ASP 21 N 6.90 0.40 -0.66 0.00 3.32 -1.98 0.44 116.42 124.84 1aca h ASP 21 Ca -0.46 0.18 0.12 0.00 0.02 0.00 0.00 57.03 56.88 1aca h ASP 21 Cb 1.26 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.92 1aca h ASP 21 CO 0.90 -0.08 0.44 -0.33 -1.72 0.00 0.00 179.24 178.46 1aca h GLU 22 N 0.36 0.42 0.10 3.56 5.08 -1.99 0.57 114.58 122.68 1aca h GLU 22 Ca 0.65 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.74 1aca h GLU 22 Cb 1.38 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.56 1aca h GLU 22 CO -0.58 0.28 -1.03 0.93 -1.00 0.00 0.00 179.01 177.60 1aca h GLU 23 N 0.43 0.52 0.04 2.33 5.08 -0.52 -2.63 114.58 119.82 1aca h GLU 23 Ca 0.31 -0.69 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1aca h GLU 23 Cb 0.64 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1aca h GLU 23 CO -0.09 1.30 -0.16 0.52 -1.00 0.00 0.00 179.01 179.57 1aca h MET 24 N 0.07 -0.27 -0.25 2.33 2.86 -0.13 -2.12 114.93 117.41 1aca h MET 24 Ca -0.16 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1aca h MET 24 Cb 1.74 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.43 1aca h MET 24 CO 0.20 -0.18 -0.15 1.28 1.06 0.00 0.00 176.91 179.12 1aca n LEU 25 N -5.29 -0.27 -0.17 1.22 4.77 0.19 -0.01 117.00 117.45 1aca n LEU 25 Ca -0.06 1.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.97 1aca n LEU 25 Cb 0.21 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1aca n LEU 25 CO 0.27 -0.72 0.55 0.15 -1.33 0.00 0.00 177.39 176.31 1aca h PHE 26 N 0.00 -1.42 -0.40 -1.77 3.04 -1.20 0.15 116.94 115.34 1aca h PHE 26 Ca 0.04 0.08 0.07 0.00 3.98 0.00 0.00 57.97 62.14 1aca h PHE 26 Cb 0.10 0.69 -0.09 0.00 2.56 0.00 0.00 35.95 39.21 1aca h PHE 26 CO -0.92 -0.45 -0.39 0.82 -2.02 0.00 0.00 178.31 175.35 1aca h ILE 27 N -0.31 0.16 0.37 1.41 1.08 -0.66 0.42 117.51 119.99 1aca h ILE 27 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1aca h ILE 27 Cb 0.58 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1aca h ILE 27 CO -0.63 0.00 -0.43 0.22 -0.69 0.00 0.00 178.15 176.62 1aca h TYR 28 N -0.30 -1.20 -0.45 1.37 3.20 0.10 0.43 116.97 120.12 1aca h TYR 28 Ca 0.15 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.12 1aca h TYR 28 Cb 0.57 0.48 -0.10 0.00 1.54 0.00 0.00 36.73 39.22 1aca h TYR 28 CO -0.59 -0.56 -0.34 0.66 -1.64 0.00 0.00 178.16 175.70 1aca h SER 29 N -0.82 -1.14 0.32 -2.11 4.64 -0.27 0.48 113.55 114.66 1aca h SER 29 Ca -0.05 0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1aca h SER 29 Cb 0.72 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1aca h SER 29 CO -0.08 -0.32 -0.16 0.45 -0.87 0.00 0.00 176.83 175.85 1aca h HIS 30 N -0.24 -0.40 -0.57 4.77 3.86 -0.80 -1.16 115.15 120.61 1aca h HIS 30 Ca 0.18 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 1aca h HIS 30 Cb 0.55 0.13 -0.10 0.00 1.06 0.00 0.00 27.41 29.05 1aca h HIS 30 CO -0.57 -0.20 -0.45 -0.92 0.86 0.00 0.00 177.93 176.65 1aca h TYR 31 N -0.52 -1.32 0.79 2.45 3.20 0.51 0.06 116.97 122.14 1aca h TYR 31 Ca -0.04 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1aca h TYR 31 Cb 0.39 0.66 0.01 0.00 1.54 0.00 0.00 36.73 39.32 1aca h TYR 31 CO -0.03 -0.43 -0.38 0.87 -1.64 0.00 0.00 178.16 176.55 1aca h LYS 32 N -0.24 -1.03 -0.70 1.82 1.79 -0.93 0.21 116.57 117.50 1aca h LYS 32 Ca 0.17 0.07 0.13 0.00 -2.18 0.00 0.00 60.65 58.84 1aca h LYS 32 Cb 0.56 0.23 -0.09 0.00 -1.58 0.00 0.00 32.23 31.35 1aca h LYS 32 CO -0.68 -0.69 0.22 0.37 -1.08 0.00 0.00 179.45 177.59 1aca h GLN 33 N -1.07 0.34 0.07 3.15 -0.00 -0.67 0.86 115.11 117.80 1aca h GLN 33 Ca -0.11 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1aca h GLN 33 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.22 1aca h GLN 33 CO 0.18 0.22 -0.03 0.00 0.00 0.00 0.00 178.83 179.20 1aca h ALA 34 N 1.53 -0.09 0.00 3.38 0.00 -0.66 -2.55 119.26 120.87 1aca h ALA 34 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1aca h ALA 34 Cb 0.58 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aca h ALA 34 CO -0.42 -0.54 -0.00 1.79 0.00 0.00 0.00 179.25 180.07 1aca h THR 35 N -0.11 0.94 0.00 0.00 1.35 -0.13 -3.43 112.91 111.53 1aca h THR 35 Ca -0.01 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1aca h THR 35 Cb 0.09 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1aca h THR 35 CO 0.02 0.32 0.00 0.52 -0.25 0.00 0.00 175.52 176.12 1aca n VAL 36 N -4.69 0.00 0.00 6.82 0.31 0.29 -5.04 118.33 116.02 1aca n VAL 36 Ca -0.05 0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1aca n VAL 36 Cb 0.25 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 2.14 1.93 3.86 2.92 0.00 -0.84 -4.98 105.19 110.22 1aca n GLY 37 Ca 0.00 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 6.60 -0.36 1.61 1.11 -1.12 -4.30 116.67 116.20 1aca s ASP 38 Ca 0.00 1.33 -0.16 0.00 0.18 0.00 0.00 52.55 53.90 1aca s ASP 38 Cb 0.00 -2.41 -0.00 0.00 1.07 0.00 0.00 42.92 41.58 1aca s ASP 38 CO 0.00 -0.45 0.41 -0.51 1.18 0.00 0.00 175.17 175.80 1aca s ILE 39 N -2.42 5.12 -0.33 0.77 2.07 -1.26 -4.88 121.20 120.27 1aca s ILE 39 Ca 0.55 -0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.88 1aca s ILE 39 Cb -0.10 -3.90 0.46 0.00 0.13 0.00 0.00 42.46 39.04 1aca s ILE 39 CO 0.29 -0.20 1.14 -0.46 -1.91 0.00 0.00 174.94 173.80 1aca n ASN 40 N 5.51 4.14 -4.48 4.50 0.23 -1.26 -5.03 115.26 118.87 1aca n ASN 40 Ca -0.08 -3.42 -0.23 0.00 -0.53 0.00 0.00 54.58 50.32 1aca n ASN 40 Cb 0.49 -0.41 -0.11 0.00 -2.08 0.00 0.00 39.78 37.67 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 -4.64 1.38 0.09 5.53 -4.23 -1.26 -5.18 115.64 107.33 1aca s THR 41 Ca 0.45 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1aca s THR 41 Cb 0.40 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1aca s THR 41 CO -0.04 -0.03 0.11 -1.84 -0.54 0.00 0.00 174.62 172.28 1aca n GLU 42 N -0.72 1.10 -3.44 3.99 0.00 -1.26 -5.09 120.64 115.21 1aca n GLU 42 Ca -0.03 -0.54 -0.43 0.00 0.00 0.00 0.00 57.16 56.16 1aca n GLU 42 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.07 1aca n GLU 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1aca s ARG 43 N -2.41 3.58 0.00 3.44 0.52 -1.26 -4.80 118.95 118.02 1aca s ARG 43 Ca 0.08 -2.84 0.00 0.00 -0.52 0.00 0.00 55.73 52.45 1aca s ARG 43 Cb -0.01 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.18 1aca s ARG 43 CO 0.05 -1.25 0.00 -2.30 0.02 0.00 0.00 175.30 171.82 1aca n PRO 44 N 3.23 1.45 -0.63 3.54 -0.02 -1.26 -4.81 135.00 136.51 1aca n PRO 44 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1aca n PRO 44 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 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 0.00 3.67 0.00 -1.23 0.00 -1.25 -4.83 105.19 101.55 1aca n GLY 45 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.26 0.00 0.19 1.61 0.00 -1.26 0.70 117.12 118.09 1aca n MET 46 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 57.70 57.91 1aca n MET 46 Cb 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 33.22 32.89 1aca n MET 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1aca h LEU 47 N 0.00 0.00 0.00 3.17 -0.00 -2.05 -2.11 115.31 114.32 1aca h LEU 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1aca h LEU 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1aca h LEU 47 CO 0.00 0.27 0.00 0.47 -0.00 0.00 0.00 178.44 179.18 1aca n ASP 48 N -3.21 0.00 -0.30 -0.43 8.00 -1.02 -2.30 116.55 117.28 1aca n ASP 48 Ca 0.02 -0.53 0.31 0.00 0.71 0.00 0.00 54.79 55.30 1aca n ASP 48 Cb 0.60 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 42.37 1aca n ASP 48 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1aca h PHE 49 N 0.00 0.21 -0.54 1.24 -5.15 0.99 0.69 116.94 114.39 1aca h PHE 49 Ca 0.00 0.01 0.07 0.00 -0.20 0.00 0.00 57.97 57.85 1aca h PHE 49 Cb 0.00 -0.06 -0.08 0.00 0.22 0.00 0.00 35.95 36.03 1aca h PHE 49 CO 0.00 0.02 -0.26 1.63 -2.00 0.00 0.00 178.31 177.70 1aca n LYS 50 N -4.34 -0.17 0.00 6.09 5.02 -0.97 0.77 118.16 124.56 1aca n LYS 50 Ca 0.25 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 1aca n LYS 50 Cb 1.10 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 1aca n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aca n GLY 51 N -1.21 -3.43 0.00 0.72 0.00 0.24 -0.78 105.19 100.74 1aca n GLY 51 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1aca n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aca n LYS 52 N -1.54 0.00 -0.16 1.61 4.76 0.23 0.28 118.16 123.34 1aca n LYS 52 Ca 0.00 0.83 -0.04 0.00 -2.87 0.00 0.00 58.31 56.23 1aca n LYS 52 Cb 0.00 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 31.76 1aca n LYS 52 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aca n ALA 53 N -2.46 -0.24 0.13 7.82 0.00 0.03 0.93 120.51 126.72 1aca n ALA 53 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.77 1aca n ALA 53 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1aca n ALA 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1aca h LYS 54 N 0.00 0.00 0.13 0.00 2.10 -0.80 0.17 116.57 118.17 1aca h LYS 54 Ca 0.06 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 1aca h LYS 54 Cb 0.15 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1aca h LYS 54 CO -0.35 0.59 -0.18 2.35 -2.00 0.00 0.00 179.45 179.85 1aca h TRP 55 N 0.00 -0.47 0.05 0.07 7.01 0.51 0.39 115.95 123.52 1aca h TRP 55 Ca -0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1aca h TRP 55 Cb 1.42 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.67 1aca h TRP 55 CO 0.00 -0.26 -0.10 0.22 -2.79 0.00 0.00 178.44 175.50 1aca h ASP 56 N -0.36 -0.29 -0.95 2.65 1.82 -0.38 0.31 116.42 119.22 1aca h ASP 56 Ca 0.02 0.03 0.22 0.00 -0.39 0.00 0.00 57.03 56.90 1aca h ASP 56 Cb 0.36 0.10 -0.12 0.00 0.68 0.00 0.00 39.33 40.36 1aca h ASP 56 CO -0.08 -0.12 0.52 0.00 -1.61 0.00 0.00 179.24 177.95 1aca h ALA 57 N -1.45 1.60 0.09 -0.78 0.00 -0.63 -2.68 119.26 115.41 1aca h ALA 57 Ca -0.01 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aca h ALA 57 Cb 0.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1aca h ALA 57 CO -0.04 -0.24 -0.04 2.35 0.00 0.00 0.00 179.25 181.28 1aca h TRP 58 N 0.56 -0.11 -0.48 0.00 7.01 0.16 -2.98 115.95 120.09 1aca h TRP 58 Ca 0.59 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.73 1aca h TRP 58 Cb 1.06 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 28.14 1aca h TRP 58 CO -0.06 0.32 0.79 -0.97 -2.79 0.00 0.00 178.44 175.74 1aca h ASN 59 N -0.60 0.00 0.83 2.65 -1.24 -0.04 0.73 115.58 117.91 1aca h ASN 59 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.89 1aca h ASN 59 Cb 0.49 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1aca h ASN 59 CO 0.02 0.00 -0.52 -0.08 -1.29 0.00 0.00 177.43 175.56 1aca h GLU 60 N 0.00 0.00 0.00 6.67 4.81 -1.38 -3.10 114.58 121.58 1aca h GLU 60 Ca 0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1aca h GLU 60 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1aca h GLU 60 CO -0.00 0.52 -1.51 1.28 -0.73 0.00 0.00 179.01 178.56 1aca n LEU 61 N -3.59 0.42 0.00 1.64 4.77 0.24 -4.78 117.00 115.70 1aca n LEU 61 Ca -0.00 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1aca n LEU 61 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1aca n LEU 61 CO 0.40 -0.09 0.00 1.17 -1.33 0.00 0.00 177.39 177.53 1aca n LYS 62 N -2.46 0.00 -1.98 3.23 4.81 -0.46 0.12 118.16 121.41 1aca n LYS 62 Ca -0.02 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.16 1aca n LYS 62 Cb 0.56 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.63 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 -0.63 6.32 3.97 3.14 0.00 -1.26 -2.81 105.19 113.92 1aca n GLY 63 Ca 0.00 -2.64 -0.21 0.00 0.00 0.00 0.00 46.02 43.17 1aca n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aca s THR 64 N -4.70 4.67 -0.40 2.61 2.01 0.32 -5.02 115.64 115.13 1aca s THR 64 Ca 0.52 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 1aca s THR 64 Cb 0.42 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1aca s THR 64 CO 0.01 -0.34 0.94 -0.94 -0.69 0.00 0.00 174.62 173.60 1aca s SER 65 N -4.09 6.64 0.20 3.53 1.04 -1.26 -4.88 113.70 114.87 1aca s SER 65 Ca 0.41 0.47 0.02 0.00 0.48 0.00 0.00 55.95 57.33 1aca s SER 65 Cb -0.09 -2.47 0.52 0.00 0.10 0.00 0.00 66.02 64.08 1aca s SER 65 CO 0.33 -0.93 1.00 0.29 0.98 0.00 0.00 173.24 174.91 1aca n LYS 66 N 6.94 -0.05 -0.08 4.02 5.02 -1.26 -0.50 118.16 132.24 1aca n LYS 66 Ca 0.07 0.95 -0.07 0.00 -2.02 0.00 0.00 58.31 57.23 1aca n LYS 66 Cb 0.48 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1aca n LYS 66 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1aca h GLU 67 N 0.00 0.24 -0.66 1.97 5.08 -1.90 -1.97 114.58 117.34 1aca h GLU 67 Ca 0.40 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 1aca h GLU 67 Cb 0.86 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 1aca h GLU 67 CO -0.59 0.16 0.37 -0.44 -1.00 0.00 0.00 179.01 177.51 1aca h ASP 68 N 0.25 0.54 -0.40 1.42 3.32 -1.19 0.46 116.42 120.81 1aca h ASP 68 Ca 0.13 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.30 1aca h ASP 68 Cb 0.10 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.48 1aca h ASP 68 CO -0.13 0.35 -0.19 0.00 -1.72 0.00 0.00 179.24 177.55 1aca h ALA 69 N 1.34 0.12 0.33 3.45 0.00 -1.37 -2.47 119.26 120.66 1aca h ALA 69 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1aca h ALA 69 Cb 0.18 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1aca h ALA 69 CO -0.18 -0.55 -0.42 0.52 0.00 0.00 0.00 179.25 178.63 1aca h MET 70 N -0.11 -0.76 -0.43 0.00 2.86 -0.27 0.25 114.93 116.47 1aca h MET 70 Ca 0.20 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.99 1aca h MET 70 Cb 0.41 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.17 1aca h MET 70 CO -0.47 -0.51 -0.06 1.63 1.06 0.00 0.00 176.91 178.56 1aca n LYS 71 N -5.49 -0.04 -0.13 1.72 5.02 -0.12 -0.06 118.16 119.06 1aca n LYS 71 Ca -0.10 0.66 -0.21 0.00 -2.02 0.00 0.00 58.31 56.64 1aca n LYS 71 Cb 0.40 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.29 1aca n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aca n ALA 72 N -3.68 1.39 -0.30 7.82 0.00 -1.19 -4.20 120.51 120.35 1aca n ALA 72 Ca 0.08 -1.09 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 1aca n ALA 72 Cb 0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 1aca n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aca n TYR 73 N -3.51 -0.31 0.10 0.00 9.36 0.91 0.02 117.16 123.73 1aca n TYR 73 Ca -0.48 0.88 -0.11 0.00 3.32 0.00 0.00 57.90 61.51 1aca n TYR 73 Cb 0.96 -0.55 -0.07 0.00 -0.63 0.00 0.00 39.34 39.05 1aca n TYR 73 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1aca h ILE 74 N 0.00 0.00 -1.09 2.97 2.04 -1.23 0.52 117.51 120.71 1aca h ILE 74 Ca 0.11 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.28 1aca h ILE 74 Cb 0.29 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.26 1aca h ILE 74 CO -0.66 0.00 0.69 0.44 0.00 0.00 0.00 178.15 178.62 1aca h ASP 75 N -0.55 0.42 0.38 1.72 5.19 -1.15 0.72 116.42 123.15 1aca h ASP 75 Ca -0.01 0.11 -0.22 0.00 -0.62 0.00 0.00 57.03 56.29 1aca h ASP 75 Cb 0.53 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1aca h ASP 75 CO -0.17 0.01 -0.92 0.50 -3.12 0.00 0.00 179.24 175.54 1aca h LYS 76 N 0.34 0.37 0.24 3.56 1.63 0.66 0.14 116.57 123.51 1aca h LYS 76 Ca 0.66 -0.40 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1aca h LYS 76 Cb 1.72 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 1aca h LYS 76 CO -0.36 1.07 -0.12 0.28 -3.45 0.00 0.00 179.45 176.88 1aca h VAL 77 N 0.21 0.82 -0.41 2.00 2.07 0.53 -0.72 116.25 120.74 1aca h VAL 77 Ca -0.07 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1aca h VAL 77 Cb 1.56 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.38 1aca h VAL 77 CO 0.16 0.12 -0.14 -0.33 0.02 0.00 0.00 177.57 177.40 1aca h GLU 78 N -0.63 -0.05 -0.57 1.57 5.08 -0.11 0.25 114.58 120.11 1aca h GLU 78 Ca -0.03 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1aca h GLU 78 Cb 0.45 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 1aca h GLU 78 CO 0.05 -0.03 -0.52 0.93 -1.00 0.00 0.00 179.01 178.44 1aca h GLU 79 N -0.05 -0.26 -0.30 2.33 4.39 -0.21 -1.28 114.58 119.19 1aca h GLU 79 Ca 0.20 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.99 1aca h GLU 79 Cb 0.36 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 1aca h GLU 79 CO -0.45 -0.17 -0.22 -0.07 -1.16 0.00 0.00 179.01 176.93 1aca h LEU 80 N -0.27 -0.73 -1.38 1.33 3.38 0.64 0.20 115.31 118.48 1aca h LEU 80 Ca 0.13 0.14 0.47 0.00 0.09 0.00 0.00 57.88 58.71 1aca h LEU 80 Cb 0.56 0.36 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1aca h LEU 80 CO -0.69 -0.26 0.90 1.17 0.09 0.00 0.00 178.44 179.65 1aca n LYS 81 N -5.37 -0.03 -0.09 1.13 4.81 0.62 -0.05 118.16 119.18 1aca n LYS 81 Ca 0.00 1.20 -0.22 0.00 -0.87 0.00 0.00 58.31 58.42 1aca n LYS 81 Cb 0.29 -2.39 -0.12 0.00 0.02 0.00 0.00 35.03 32.83 1aca n LYS 81 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1aca n LYS 82 N -4.58 0.59 -0.12 1.64 4.81 -0.51 0.08 118.16 120.07 1aca n LYS 82 Ca 0.39 0.53 -0.05 0.00 -0.87 0.00 0.00 58.31 58.32 1aca n LYS 82 Cb 1.55 -1.74 0.02 0.00 0.02 0.00 0.00 35.03 34.88 1aca n LYS 82 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1aca h LYS 83 N -0.85 0.00 0.02 1.64 1.57 0.23 -3.23 116.57 115.94 1aca h LYS 83 Ca -0.37 -0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.01 1aca h LYS 83 Cb 1.42 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.66 1aca h LYS 83 CO -0.17 0.00 -2.34 0.66 -0.57 0.00 0.00 179.45 177.02 1aca n TYR 84 N -5.31 0.25 0.00 -1.35 4.01 0.93 -5.08 117.16 110.62 1aca n TYR 84 Ca 0.02 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1aca n TYR 84 Cb 0.22 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.22 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 1.85 0.53 0.00 2.72 0.00 0.72 -4.93 105.19 106.08 1aca n GLY 85 Ca -0.46 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1aca n GLY 85 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83