#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b75 n PHE 2 N 0.00 -2.39 -3.04 2.03 3.72 -1.26 -0.47 117.46 116.05 1b75 n PHE 2 Ca 0.00 0.45 -0.14 0.00 -0.05 0.00 0.00 57.45 57.70 1b75 n PHE 2 Cb 0.00 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 37.89 1b75 n PHE 2 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1b75 n THR 3 N -2.51 -0.54 -2.41 4.37 -1.04 -1.26 -4.56 114.28 106.32 1b75 n THR 3 Ca 0.00 -2.13 -0.40 0.00 -2.04 0.00 0.00 64.05 59.48 1b75 n THR 3 Cb 0.16 -0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.45 1b75 n THR 3 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1b75 s ILE 4 N 0.46 3.65 -0.20 12.58 1.09 -0.96 -4.93 121.20 132.89 1b75 s ILE 4 Ca 0.31 0.14 -0.29 0.00 -1.10 0.00 0.00 60.65 59.71 1b75 s ILE 4 Cb 0.03 -4.67 -0.03 0.00 -1.06 0.00 0.00 42.46 36.72 1b75 s ILE 4 CO -0.12 -1.61 1.70 0.21 -0.10 0.00 0.00 174.94 175.01 1b75 s ASN 5 N 5.14 6.30 0.34 3.58 3.84 -1.26 -1.22 114.94 131.66 1b75 s ASN 5 Ca 0.46 1.72 0.03 0.00 0.21 0.00 0.00 52.86 55.28 1b75 s ASN 5 Cb -0.08 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 1b75 s ASN 5 CO 0.11 -1.31 0.12 0.00 -2.79 0.00 0.00 177.10 173.24 1b75 s ALA 6 N 5.42 2.39 0.21 1.71 0.00 -0.81 -4.64 121.76 126.04 1b75 s ALA 6 Ca 0.75 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1b75 s ALA 6 Cb -0.27 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1b75 s ALA 6 CO 0.31 -0.39 0.47 -2.00 0.00 0.00 0.00 175.76 174.14 1b75 s GLU 7 N -3.81 1.41 -1.04 0.00 2.12 -1.24 -3.54 118.70 112.59 1b75 s GLU 7 Ca 0.32 -1.06 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 1b75 s GLU 7 Cb 0.05 0.48 -0.13 0.00 0.26 0.00 0.00 34.13 34.79 1b75 s GLU 7 CO 0.16 -0.58 2.99 1.33 -0.54 0.00 0.00 175.26 178.61 1b75 n VAL 8 N -0.33 3.60 -3.89 3.70 0.24 -1.26 -1.26 118.33 119.13 1b75 n VAL 8 Ca -0.06 -2.07 -0.27 0.00 -2.04 0.00 0.00 64.34 59.90 1b75 n VAL 8 Cb 0.62 -2.35 -0.01 0.00 -1.47 0.00 0.00 33.84 30.63 1b75 n VAL 8 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1b75 n ARG 9 N 3.34 -2.92 -2.27 7.34 0.00 -1.26 -4.84 116.66 116.06 1b75 n ARG 9 Ca 0.62 0.42 -0.40 0.00 -0.00 0.00 0.00 57.85 58.49 1b75 n ARG 9 Cb 0.41 -4.43 -0.01 0.00 0.00 0.00 0.00 32.46 28.42 1b75 n ARG 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1b75 n LYS 10 N -4.37 2.78 0.00 -0.14 0.00 -1.26 -2.89 118.16 112.28 1b75 n LYS 10 Ca -0.27 -2.95 0.00 0.00 0.00 0.00 0.00 58.31 55.10 1b75 n LYS 10 Cb 0.67 -3.47 0.00 0.00 0.00 0.00 0.00 35.03 32.23 1b75 n LYS 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1b75 n GLU 11 N 7.89 0.00 -2.32 1.64 4.07 -1.26 -5.03 120.64 125.64 1b75 n GLU 11 Ca 0.49 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.57 1b75 n GLU 11 Cb 0.45 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.83 1b75 n GLU 11 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1b75 n GLN 12 N -1.24 -0.76 -0.67 5.31 7.27 -1.14 -4.84 117.38 121.31 1b75 n GLN 12 Ca 0.00 0.91 -0.18 0.00 0.07 0.00 0.00 57.00 57.81 1b75 n GLN 12 Cb 0.00 -3.70 0.14 0.00 2.41 0.00 0.00 30.24 29.09 1b75 n GLN 12 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1b75 n GLY 13 N -1.39 -2.51 2.94 1.69 0.00 -1.25 -3.67 105.19 101.00 1b75 n GLY 13 Ca -0.01 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1b75 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 14 N -3.39 -1.74 0.00 1.61 0.00 -1.26 -4.53 118.16 108.85 1b75 n LYS 14 Ca 0.09 0.85 0.00 0.00 0.00 0.00 0.00 58.31 59.25 1b75 n LYS 14 Cb 0.35 -5.13 0.00 0.00 0.00 0.00 0.00 35.03 30.25 1b75 n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b75 n GLY 15 N -1.34 1.25 3.56 3.14 0.00 -1.26 -4.98 105.19 105.55 1b75 n GLY 15 Ca -0.05 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1b75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b75 s ALA 16 N -1.05 3.31 0.24 4.61 0.00 -1.24 -4.85 121.76 122.78 1b75 s ALA 16 Ca 0.00 -2.87 -0.05 0.00 0.00 0.00 0.00 51.96 49.03 1b75 s ALA 16 Cb 0.00 -4.57 0.44 0.00 0.00 0.00 0.00 23.12 18.99 1b75 s ALA 16 CO 0.00 -3.28 1.70 0.77 0.00 0.00 0.00 175.76 174.94 1b75 h SER 17 N 7.85 0.07 -1.78 0.00 0.02 -1.91 -3.33 113.55 114.47 1b75 h SER 17 Ca 0.40 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.53 1b75 h SER 17 Cb 0.89 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1b75 h SER 17 CO 1.43 -0.00 -0.07 0.54 -1.14 0.00 0.00 176.83 177.59 1b75 n ARG 18 N -5.12 -0.39 -2.00 3.45 5.12 -1.26 -4.15 116.66 112.32 1b75 n ARG 18 Ca 0.14 0.26 -0.26 0.00 -1.93 0.00 0.00 57.85 56.05 1b75 n ARG 18 Cb 0.44 -0.47 -0.07 0.00 -1.16 0.00 0.00 32.46 31.19 1b75 n ARG 18 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1b75 s ARG 19 N -0.32 2.32 0.12 5.56 0.52 -1.26 -4.17 118.95 121.72 1b75 s ARG 19 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1b75 s ARG 19 Cb 0.00 -5.17 0.00 0.00 0.52 0.00 0.00 34.95 30.30 1b75 s ARG 19 CO 0.00 -4.08 0.00 -0.11 0.02 0.00 0.00 175.30 171.13 1b75 n LEU 20 N 15.07 0.04 0.04 2.53 7.94 -1.26 -4.63 117.00 136.74 1b75 n LEU 20 Ca 0.44 0.21 -0.19 0.00 -1.11 0.00 0.00 56.01 55.36 1b75 n LEU 20 Cb 0.47 0.13 -0.14 0.00 0.53 0.00 0.00 43.42 44.40 1b75 n LEU 20 CO 0.65 -0.58 -0.53 0.08 -1.11 0.00 0.00 177.39 175.90 1b75 h ARG 21 N 0.00 0.27 0.33 1.96 -0.00 -1.83 -3.23 114.38 111.89 1b75 h ARG 21 Ca 0.00 -0.46 -0.02 0.00 -0.00 0.00 0.00 59.98 59.50 1b75 h ARG 21 Cb 0.11 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1b75 h ARG 21 CO 0.00 1.13 -0.16 0.00 -0.00 0.00 0.00 179.97 180.94 1b75 h ALA 22 N 0.34 -0.45 -2.35 0.08 0.00 -1.90 -3.44 119.26 111.54 1b75 h ALA 22 Ca -0.32 -0.19 -0.50 0.00 0.00 0.00 0.00 54.91 53.90 1b75 h ALA 22 Cb 2.05 0.17 0.09 0.00 0.00 0.00 0.00 17.79 20.10 1b75 h ALA 22 CO 0.14 -0.55 0.37 0.00 0.00 0.00 0.00 179.25 179.21 1b75 s ALA 23 N -4.59 2.64 -1.35 0.00 0.00 -1.26 -4.94 121.76 112.26 1b75 s ALA 23 Ca -0.13 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1b75 s ALA 23 Cb 0.02 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1b75 s ALA 23 CO 0.50 -1.13 1.89 -1.71 0.00 0.00 0.00 175.76 175.31 1b75 n ASN 24 N -2.68 4.60 -4.16 0.00 5.15 -1.26 -4.46 115.26 112.45 1b75 n ASN 24 Ca 0.08 -2.91 -0.10 0.00 -0.60 0.00 0.00 54.58 51.05 1b75 n ASN 24 Cb 0.53 -1.68 -0.10 0.00 -0.53 0.00 0.00 39.78 38.00 1b75 n ASN 24 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1b75 s LYS 25 N 3.33 0.95 -0.10 1.20 1.02 -1.22 -1.17 119.74 123.75 1b75 s LYS 25 Ca 0.49 -1.45 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 1b75 s LYS 25 Cb 0.07 0.16 0.09 0.00 -0.52 0.00 0.00 37.83 37.63 1b75 s LYS 25 CO 0.01 -0.24 0.80 -0.59 -0.92 0.00 0.00 175.35 174.41 1b75 s PHE 26 N -3.98 -0.56 0.36 3.18 -0.71 -0.81 -4.65 117.98 110.82 1b75 s PHE 26 Ca 0.24 0.98 -0.25 0.00 -1.04 0.00 0.00 56.93 56.86 1b75 s PHE 26 Cb 0.07 0.42 -0.09 0.00 -1.21 0.00 0.00 43.02 42.21 1b75 s PHE 26 CO 0.02 -0.50 1.05 -1.25 -1.34 0.00 0.00 175.22 173.20 1b75 s PRO 27 N -1.07 4.32 0.30 1.99 0.04 -1.26 -2.46 135.00 136.85 1b75 s PRO 27 Ca -0.07 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.57 1b75 s PRO 27 Cb -0.00 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 1b75 s PRO 27 CO 0.06 -0.01 0.02 0.00 0.04 0.00 0.00 177.00 177.12 1b75 s ALA 28 N -1.54 2.23 0.03 8.56 0.00 -0.68 -4.65 121.76 125.72 1b75 s ALA 28 Ca 0.54 -1.97 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1b75 s ALA 28 Cb -0.24 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1b75 s ALA 28 CO 0.30 -0.25 -0.10 0.42 0.00 0.00 0.00 175.76 176.13 1b75 s ILE 29 N -3.28 0.74 -0.38 0.00 1.01 -0.74 -0.90 121.20 117.66 1b75 s ILE 29 Ca 0.34 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.18 1b75 s ILE 29 Cb 0.07 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.94 1b75 s ILE 29 CO 0.13 -0.07 0.14 -0.63 0.00 0.00 0.00 174.94 174.52 1b75 s ILE 30 N -0.78 3.14 0.92 2.92 1.01 -0.12 -0.49 121.20 127.80 1b75 s ILE 30 Ca -0.02 -1.92 -0.14 0.00 0.00 0.00 0.00 60.65 58.57 1b75 s ILE 30 Cb -0.07 -3.08 0.16 0.00 0.01 0.00 0.00 42.46 39.48 1b75 s ILE 30 CO 0.00 -0.54 1.24 -0.31 0.00 0.00 0.00 174.94 175.33 1b75 s TYR 31 N 1.15 2.08 0.00 3.97 1.51 0.47 -2.20 117.35 124.32 1b75 s TYR 31 Ca 0.05 0.54 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 1b75 s TYR 31 Cb -0.22 -3.78 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1b75 s TYR 31 CO -0.04 -2.42 0.00 0.41 -1.11 0.00 0.00 175.55 172.39 1b75 n GLY 32 N -3.23 0.21 0.00 0.71 0.00 -1.26 -2.56 105.19 99.06 1b75 n GLY 32 Ca 0.12 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1b75 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b75 n GLY 33 N 0.00 1.02 2.63 -0.02 0.00 -1.26 -4.74 105.19 102.82 1b75 n GLY 33 Ca 0.00 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 1b75 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 34 N 0.00 3.05 -4.02 1.61 3.00 -1.26 -4.86 118.16 115.68 1b75 n LYS 34 Ca 0.00 -2.48 -0.13 0.00 -0.00 0.00 0.00 58.31 55.71 1b75 n LYS 34 Cb 0.00 -3.15 -0.13 0.00 0.00 0.00 0.00 35.03 31.75 1b75 n LYS 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1b75 s GLU 35 N 2.96 0.31 0.10 1.64 2.12 -1.26 -5.13 118.70 119.45 1b75 s GLU 35 Ca 0.53 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.19 1b75 s GLU 35 Cb 0.15 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.29 1b75 s GLU 35 CO -0.08 0.03 1.63 0.00 -0.54 0.00 0.00 175.26 176.30 1b75 s ALA 36 N -0.67 3.71 0.09 6.30 0.00 -1.26 -4.71 121.76 125.22 1b75 s ALA 36 Ca -0.05 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 1b75 s ALA 36 Cb -0.05 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 1b75 s ALA 36 CO -0.00 -1.00 1.25 -1.25 0.00 0.00 0.00 175.76 174.76 1b75 s PRO 37 N 2.15 4.41 0.23 0.00 0.04 -1.26 -4.98 135.00 135.60 1b75 s PRO 37 Ca 0.73 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.62 1b75 s PRO 37 Cb -0.41 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 1b75 s PRO 37 CO 0.32 -0.29 0.42 -0.48 0.04 0.00 0.00 177.00 177.02 1b75 s LEU 38 N 0.94 4.19 0.13 -3.56 0.05 -0.94 -4.89 118.68 114.60 1b75 s LEU 38 Ca 0.60 0.40 -0.01 0.00 0.05 0.00 0.00 54.13 55.16 1b75 s LEU 38 Cb -0.32 -3.19 -0.05 0.00 -2.05 0.00 0.00 46.19 40.59 1b75 s LEU 38 CO 0.30 -0.10 0.32 0.00 -0.55 0.00 0.00 176.35 176.32 1b75 s ALA 39 N -1.97 3.89 0.06 1.48 0.00 -1.26 -0.94 121.76 123.02 1b75 s ALA 39 Ca 0.39 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 1b75 s ALA 39 Cb -0.11 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1b75 s ALA 39 CO 0.30 0.65 -0.03 0.96 0.00 0.00 0.00 175.76 177.64 1b75 s ILE 40 N -1.68 0.26 0.22 0.00 -4.36 -0.07 -4.12 121.20 111.45 1b75 s ILE 40 Ca 0.38 -1.82 -0.23 0.00 -0.26 0.00 0.00 60.65 58.71 1b75 s ILE 40 Cb -0.12 -1.55 -0.08 0.00 1.25 0.00 0.00 42.46 41.96 1b75 s ILE 40 CO 0.27 -0.98 0.79 -0.70 0.24 0.00 0.00 174.94 174.56 1b75 s GLU 41 N -3.92 4.43 -0.05 0.37 -6.30 -0.39 -1.68 118.70 111.17 1b75 s GLU 41 Ca 0.08 1.07 -0.02 0.00 -2.50 0.00 0.00 54.97 53.60 1b75 s GLU 41 Cb 0.08 -3.01 0.04 0.00 0.00 0.00 0.00 34.13 31.24 1b75 s GLU 41 CO -0.09 0.44 0.09 -1.17 0.02 0.00 0.00 175.26 174.55 1b75 s LEU 42 N -1.68 0.61 -0.21 2.70 2.96 -1.03 -3.68 118.68 118.35 1b75 s LEU 42 Ca 0.42 0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 54.35 1b75 s LEU 42 Cb -0.19 0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 1b75 s LEU 42 CO 0.23 -0.18 0.38 -0.62 -1.32 0.00 0.00 176.35 174.85 1b75 s ASP 43 N 1.49 6.41 -1.41 3.68 2.15 -1.26 -1.92 116.67 125.81 1b75 s ASP 43 Ca -0.05 0.48 -0.14 0.00 0.43 0.00 0.00 52.55 53.27 1b75 s ASP 43 Cb -0.12 -2.22 0.06 0.00 -0.30 0.00 0.00 42.92 40.34 1b75 s ASP 43 CO -0.04 -0.08 2.10 1.57 -0.17 0.00 0.00 175.17 178.55 1b75 n HIS 44 N 4.52 3.67 0.18 -5.34 -0.00 -0.32 -3.55 115.22 114.38 1b75 n HIS 44 Ca -0.09 -2.94 0.00 0.00 -0.00 0.00 0.00 57.72 54.69 1b75 n HIS 44 Cb 0.51 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 1b75 n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1b75 n ASP 45 N 6.16 -2.43 0.24 0.26 8.00 -1.26 -4.85 116.55 122.67 1b75 n ASP 45 Ca 0.50 0.68 -0.10 0.00 0.71 0.00 0.00 54.79 56.57 1b75 n ASP 45 Cb 0.40 2.37 -0.05 0.00 -0.02 0.00 0.00 41.12 43.82 1b75 n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1b75 h LYS 46 N 0.00 -0.61 -0.38 -1.24 1.57 -1.99 -2.85 116.57 111.07 1b75 h LYS 46 Ca 0.00 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1b75 h LYS 46 Cb 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1b75 h LYS 46 CO 0.00 -0.41 0.25 -0.24 -0.57 0.00 0.00 179.45 178.49 1b75 h VAL 47 N -0.63 1.06 -0.72 0.50 3.04 -1.93 0.39 116.25 117.96 1b75 h VAL 47 Ca -0.06 -0.16 0.05 0.00 -1.01 0.00 0.00 66.70 65.52 1b75 h VAL 47 Cb 0.49 0.56 -0.04 0.00 -2.01 0.00 0.00 31.29 30.29 1b75 h VAL 47 CO 0.10 0.08 0.47 -0.03 -1.01 0.00 0.00 177.57 177.19 1b75 h MET 48 N 0.46 0.79 0.07 4.17 1.85 -1.81 -0.53 114.93 119.93 1b75 h MET 48 Ca 0.15 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 59.04 1b75 h MET 48 Cb 0.02 -0.18 0.02 0.00 0.43 0.00 0.00 31.60 31.89 1b75 h MET 48 CO -0.03 0.53 -0.63 -0.91 -0.40 0.00 0.00 176.91 175.46 1b75 h ASN 49 N 0.82 0.44 -0.55 1.39 2.35 -0.74 -3.36 115.58 115.93 1b75 h ASN 49 Ca 0.30 -0.87 0.04 0.00 -0.55 0.00 0.00 56.30 55.21 1b75 h ASN 49 Cb 0.15 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1b75 h ASN 49 CO -0.09 1.26 0.31 0.24 -1.65 0.00 0.00 177.43 177.50 1b75 h MET 50 N -0.33 0.59 0.21 0.81 2.86 -0.81 -3.18 114.93 115.09 1b75 h MET 50 Ca -0.10 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1b75 h MET 50 Cb 1.42 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1b75 h MET 50 CO 0.12 0.39 -0.23 -0.56 1.06 0.00 0.00 176.91 177.69 1b75 h GLN 51 N 0.61 -0.47 0.00 1.72 -0.00 -1.25 -3.41 115.11 112.30 1b75 h GLN 51 Ca 0.23 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.91 1b75 h GLN 51 Cb 0.08 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1b75 h GLN 51 CO -0.13 -0.32 0.00 0.00 -0.00 0.00 0.00 178.83 178.39 1b75 n ALA 52 N -2.51 0.00 -2.13 0.06 0.00 -1.20 -3.97 120.51 110.76 1b75 n ALA 52 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1b75 n ALA 52 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1b75 n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b75 n LYS 53 N 0.00 0.00 0.07 0.00 3.00 -1.26 -4.67 118.16 115.30 1b75 n LYS 53 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1b75 n LYS 53 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b75 n ALA 54 N -3.00 2.64 -0.35 3.14 0.00 -1.26 -4.45 120.51 117.24 1b75 n ALA 54 Ca 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 53.44 53.28 1b75 n ALA 54 Cb 0.00 -1.01 0.35 0.00 0.00 0.00 0.00 19.45 18.79 1b75 n ALA 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b75 h GLU 55 N 0.00 0.64 -0.59 0.00 4.57 -1.95 -2.60 114.58 114.66 1b75 h GLU 55 Ca 0.00 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1b75 h GLU 55 Cb 0.98 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.36 1b75 h GLU 55 CO 0.00 0.43 -0.35 0.34 -1.18 0.00 0.00 179.01 178.25 1b75 n PHE 56 N -4.84 -0.26 0.90 0.92 7.35 -1.25 -1.07 117.46 119.21 1b75 n PHE 56 Ca 0.25 0.73 0.13 0.00 -0.76 0.00 0.00 57.45 57.80 1b75 n PHE 56 Cb 0.66 -0.52 0.43 0.00 0.35 0.00 0.00 39.48 40.39 1b75 n PHE 56 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1b75 n TYR 57 N -4.41 0.19 0.05 -5.13 0.18 -0.99 -4.17 117.16 102.87 1b75 n TYR 57 Ca 0.01 0.05 -0.13 0.00 1.88 0.00 0.00 57.90 59.72 1b75 n TYR 57 Cb 0.15 -0.50 -0.09 0.00 -0.38 0.00 0.00 39.34 38.53 1b75 n TYR 57 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1b75 h SER 58 N 0.00 -0.14 -0.62 9.48 0.02 -0.95 -3.35 113.55 117.99 1b75 h SER 58 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1b75 h SER 58 Cb 0.56 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1b75 h SER 58 CO 0.00 0.31 0.00 -1.84 -1.14 0.00 0.00 176.83 174.16 1b75 n GLU 59 N -4.96 2.70 -0.56 3.45 0.28 -1.13 -5.06 120.64 115.36 1b75 n GLU 59 Ca -0.09 -2.35 0.05 0.00 -0.16 0.00 0.00 57.16 54.62 1b75 n GLU 59 Cb 0.25 -1.58 -0.03 0.00 1.43 0.00 0.00 31.44 31.52 1b75 n GLU 59 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1b75 n VAL 60 N 1.27 -0.51 -4.22 3.84 3.14 -1.26 -4.53 118.33 116.06 1b75 n VAL 60 Ca 0.22 0.41 -0.13 0.00 -2.96 0.00 0.00 64.34 61.88 1b75 n VAL 60 Cb 0.60 -0.63 -0.10 0.00 -1.06 0.00 0.00 33.84 32.65 1b75 n VAL 60 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1b75 s LEU 61 N -5.01 1.74 -0.13 6.55 1.02 0.13 -3.18 118.68 119.81 1b75 s LEU 61 Ca 0.00 -1.26 -0.00 0.00 0.02 0.00 0.00 54.13 52.88 1b75 s LEU 61 Cb 0.00 0.15 0.03 0.00 0.02 0.00 0.00 46.19 46.39 1b75 s LEU 61 CO 0.00 -0.70 -0.07 -0.89 0.02 0.00 0.00 176.35 174.71 1b75 s THR 62 N -3.89 1.05 -0.23 5.49 2.01 0.38 -1.61 115.64 118.84 1b75 s THR 62 Ca 0.29 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 1b75 s THR 62 Cb 0.07 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1b75 s THR 62 CO 0.07 0.30 0.22 -0.63 -0.69 0.00 0.00 174.62 173.88 1b75 s ILE 63 N 1.69 5.32 -1.11 1.82 1.01 -0.41 -2.26 121.20 127.26 1b75 s ILE 63 Ca 0.04 0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.81 1b75 s ILE 63 Cb -0.13 -3.56 0.10 0.00 0.01 0.00 0.00 42.46 38.88 1b75 s ILE 63 CO -0.08 0.32 1.45 -0.69 0.00 0.00 0.00 174.94 175.95 1b75 s VAL 64 N 1.11 4.35 -1.10 2.92 1.01 -0.36 -0.89 120.40 127.44 1b75 s VAL 64 Ca 0.10 -1.59 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 1b75 s VAL 64 Cb -0.14 -5.01 0.12 0.00 0.00 0.00 0.00 36.38 31.35 1b75 s VAL 64 CO 0.05 -1.81 1.40 -0.69 0.00 0.00 0.00 175.10 174.05 1b75 s VAL 65 N 3.66 4.56 -0.86 2.92 1.01 -0.26 -1.93 120.40 129.50 1b75 s VAL 65 Ca 0.45 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 1b75 s VAL 65 Cb -0.00 -4.95 -0.00 0.00 0.00 0.00 0.00 36.38 31.42 1b75 s VAL 65 CO -0.03 -1.72 0.68 -0.67 0.00 0.00 0.00 175.10 173.36 1b75 n ASP 66 N 7.04 -6.15 0.00 3.32 2.03 -1.23 -2.62 116.55 118.94 1b75 n ASP 66 Ca 0.34 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1b75 n ASP 66 Cb 0.47 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 37.37 1b75 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b75 n GLY 67 N -1.70 1.88 3.67 0.27 0.00 -1.26 -4.98 105.19 103.08 1b75 n GLY 67 Ca -0.15 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1b75 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b75 s LYS 68 N 0.00 4.18 -1.24 1.61 1.02 -1.08 -4.88 119.74 119.36 1b75 s LYS 68 Ca 0.00 2.32 -0.19 0.00 0.02 0.00 0.00 55.97 58.11 1b75 s LYS 68 Cb 0.00 -3.84 0.06 0.00 -0.52 0.00 0.00 37.83 33.53 1b75 s LYS 68 CO 0.00 -0.81 1.69 -1.21 -0.92 0.00 0.00 175.35 174.10 1b75 s GLU 69 N 3.47 3.86 -0.51 1.68 2.02 -1.26 -1.10 118.70 126.85 1b75 s GLU 69 Ca 0.76 -1.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.68 1b75 s GLU 69 Cb -0.38 -5.49 0.02 0.00 0.10 0.00 0.00 34.13 28.38 1b75 s GLU 69 CO 0.33 -2.31 1.32 0.42 0.02 0.00 0.00 175.26 175.03 1b75 s ILE 70 N 4.61 3.94 0.03 -1.63 -1.09 -0.07 -4.84 121.20 122.15 1b75 s ILE 70 Ca 0.53 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 59.53 1b75 s ILE 70 Cb 0.03 -4.48 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 1b75 s ILE 70 CO 0.04 -1.08 1.18 -0.54 -1.23 0.00 0.00 174.94 173.31 1b75 s LYS 71 N 5.06 4.43 0.10 2.79 3.01 -1.26 -1.29 119.74 132.58 1b75 s LYS 71 Ca 0.52 1.71 0.02 0.00 -1.01 0.00 0.00 55.97 57.21 1b75 s LYS 71 Cb -0.10 -3.41 -0.04 0.00 -1.01 0.00 0.00 37.83 33.27 1b75 s LYS 71 CO 0.28 -0.28 -0.07 0.14 0.51 0.00 0.00 175.35 175.94 1b75 s VAL 72 N 1.32 0.72 -0.16 3.17 -7.23 -0.63 -1.61 120.40 115.97 1b75 s VAL 72 Ca 0.57 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1b75 s VAL 72 Cb -0.28 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.02 1b75 s VAL 72 CO 0.27 -0.85 0.73 1.17 -0.31 0.00 0.00 175.10 176.11 1b75 n LYS 73 N -0.01 0.61 -0.59 4.82 4.81 -0.37 -0.69 118.16 126.74 1b75 n LYS 73 Ca -0.12 -0.96 0.08 0.00 -0.87 0.00 0.00 58.31 56.44 1b75 n LYS 73 Cb 0.61 -1.03 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b75 n ALA 74 N -0.08 -1.53 -2.00 3.14 0.00 -1.20 -4.59 120.51 114.24 1b75 n ALA 74 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1b75 n ALA 74 Cb 0.13 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1b75 n ALA 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1b75 n GLN 75 N -2.52 0.00 -2.09 0.00 0.00 -1.22 -4.16 117.38 107.38 1b75 n GLN 75 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.58 1b75 n GLN 75 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.51 1b75 n GLN 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1b75 n ASP 76 N 0.00 5.00 -4.62 1.69 2.03 -1.26 -4.95 116.55 114.44 1b75 n ASP 76 Ca 0.00 -3.01 -0.43 0.00 0.52 0.00 0.00 54.79 51.87 1b75 n ASP 76 Cb 0.00 -1.53 -0.03 0.00 -0.72 0.00 0.00 41.12 38.84 1b75 n ASP 76 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1b75 s VAL 77 N 1.21 3.16 -0.84 5.18 -7.23 -1.26 -4.54 120.40 116.07 1b75 s VAL 77 Ca 0.44 0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 60.72 1b75 s VAL 77 Cb 0.12 -3.19 -0.00 0.00 0.56 0.00 0.00 36.38 33.87 1b75 s VAL 77 CO -0.03 -0.09 2.84 1.67 -0.31 0.00 0.00 175.10 179.17 1b75 n GLN 78 N 8.31 3.25 -3.54 4.82 -0.06 -0.79 -4.93 117.38 124.44 1b75 n GLN 78 Ca 0.25 -2.44 -0.37 0.00 -2.00 0.00 0.00 57.00 52.44 1b75 n GLN 78 Cb 0.44 -2.38 -0.06 0.00 -4.06 0.00 0.00 30.24 24.18 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 1b75 s ARG 79 N -0.42 3.85 -0.28 3.69 1.04 -1.26 -3.08 118.95 122.48 1b75 s ARG 79 Ca 0.61 0.33 0.03 0.00 -1.04 0.00 0.00 55.73 55.66 1b75 s ARG 79 Cb 0.28 -3.18 0.07 0.00 -2.04 0.00 0.00 34.95 30.07 1b75 s ARG 79 CO -0.12 0.68 -0.07 -1.58 -0.04 0.00 0.00 175.30 174.17 1b75 s HIS 80 N -1.12 3.37 0.97 5.89 2.46 -1.26 -4.99 115.29 120.60 1b75 s HIS 80 Ca 0.24 -2.48 -0.15 0.00 0.47 0.00 0.00 55.06 53.14 1b75 s HIS 80 Cb -0.16 -2.15 0.19 0.00 -0.13 0.00 0.00 32.58 30.33 1b75 s HIS 80 CO 0.13 -0.89 1.25 -1.25 -2.47 0.00 0.00 174.74 171.51 1b75 s PRO 81 N 1.06 0.65 0.00 2.88 0.04 -1.26 -4.46 135.00 133.90 1b75 s PRO 81 Ca -0.05 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.80 1b75 s PRO 81 Cb -0.20 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1b75 s PRO 81 CO -0.06 -2.44 0.00 0.66 0.04 0.00 0.00 177.00 175.20 1b75 n TYR 82 N -3.84 0.00 -4.04 0.56 4.01 -1.26 -4.80 117.16 107.79 1b75 n TYR 82 Ca 0.13 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.51 1b75 n TYR 82 Cb 0.60 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.55 1b75 n TYR 82 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1b75 s LYS 83 N 0.00 3.37 -0.49 -0.72 -2.85 -1.26 -5.07 119.74 112.72 1b75 s LYS 83 Ca 0.00 -0.24 -0.28 0.00 -1.00 0.00 0.00 55.97 54.45 1b75 s LYS 83 Cb 0.00 -3.07 0.02 0.00 -2.06 0.00 0.00 37.83 32.71 1b75 s LYS 83 CO 0.00 0.70 1.35 -1.25 0.10 0.00 0.00 175.35 176.24 1b75 s PRO 84 N -0.82 3.50 0.00 1.78 0.04 -1.26 -4.74 135.00 133.50 1b75 s PRO 84 Ca 0.13 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1b75 s PRO 84 Cb -0.12 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1b75 s PRO 84 CO 0.03 -1.68 0.00 1.63 0.04 0.00 0.00 177.00 177.02 1b75 n LYS 85 N 8.27 0.00 -1.21 4.56 4.76 -1.26 -5.15 118.16 128.13 1b75 n LYS 85 Ca 0.14 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.72 1b75 n LYS 85 Cb 0.49 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.60 1b75 n LYS 85 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1b75 n LEU 86 N -1.84 -0.87 0.09 -0.35 7.94 -1.26 -5.03 117.00 115.68 1b75 n LEU 86 Ca 0.00 2.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.94 1b75 n LEU 86 Cb 0.00 -2.56 0.00 0.00 0.53 0.00 0.00 43.42 41.39 1b75 n LEU 86 CO 0.00 -1.79 0.00 0.00 -1.11 0.00 0.00 177.39 174.49 1b75 n GLN 87 N -3.96 0.00 -3.54 1.96 1.13 -1.18 -4.99 117.38 106.80 1b75 n GLN 87 Ca -0.08 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.83 1b75 n GLN 87 Cb 0.58 -0.05 -0.05 0.00 0.11 0.00 0.00 30.24 30.83 1b75 n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1b75 s HIS 88 N -1.67 -0.50 -0.17 1.08 5.04 -1.26 -4.90 115.29 112.91 1b75 s HIS 88 Ca 0.00 0.64 -0.01 0.00 -1.54 0.00 0.00 55.06 54.15 1b75 s HIS 88 Cb 0.00 0.39 0.05 0.00 0.04 0.00 0.00 32.58 33.05 1b75 s HIS 88 CO 0.00 -0.66 -0.03 0.42 -2.34 0.00 0.00 174.74 172.13 1b75 s ILE 89 N -2.24 0.95 -1.14 0.89 -1.09 -1.26 -1.89 121.20 115.42 1b75 s ILE 89 Ca -0.06 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.68 1b75 s ILE 89 Cb -0.01 -1.20 0.26 0.00 -1.58 0.00 0.00 42.46 39.93 1b75 s ILE 89 CO 0.00 0.05 1.26 -0.90 -1.23 0.00 0.00 174.94 174.13 1b75 n ASP 90 N 4.92 5.59 -4.75 3.58 5.75 -1.26 -1.80 116.55 128.58 1b75 n ASP 90 Ca -0.11 -3.09 -0.38 0.00 -0.01 0.00 0.00 54.79 51.21 1b75 n ASP 90 Cb 0.48 -1.40 0.04 0.00 -1.03 0.00 0.00 41.12 39.20 1b75 n ASP 90 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1b75 s PHE 91 N -0.91 2.33 -0.10 2.11 0.08 0.35 -3.45 117.98 118.39 1b75 s PHE 91 Ca 0.34 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.83 1b75 s PHE 91 Cb -0.06 -3.70 0.02 0.00 -0.57 0.00 0.00 43.02 38.71 1b75 s PHE 91 CO -0.03 -2.67 -0.13 0.08 -0.10 0.00 0.00 175.22 172.36 1b75 s VAL 92 N -1.38 1.33 0.29 -0.44 1.01 -1.26 -0.40 120.40 119.56 1b75 s VAL 92 Ca 0.73 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1b75 s VAL 92 Cb -0.37 -1.24 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 1b75 s VAL 92 CO 0.43 0.41 1.48 0.54 0.00 0.00 0.00 175.10 177.96 1b75 n ARG 93 N 4.24 2.40 0.00 2.72 1.74 -1.06 -1.24 116.66 125.47 1b75 n ARG 93 Ca -0.19 0.85 0.15 0.00 -0.77 0.00 0.00 57.85 57.90 1b75 n ARG 93 Cb 0.51 -2.56 0.90 0.00 -1.02 0.00 0.00 32.46 30.29 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11