#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 -2.97 -3.36 3.17 3.72 -1.26 -3.07 117.46 113.69 1b75 n PHE 2 Ca 0.00 1.61 -0.21 0.00 -0.05 0.00 0.00 57.45 58.80 1b75 n PHE 2 Cb 0.00 -2.65 -0.09 0.00 -0.94 0.00 0.00 39.48 35.80 1b75 n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1b75 s THR 3 N -4.96 -0.15 -0.72 4.37 2.01 -1.25 -3.73 115.64 111.21 1b75 s THR 3 Ca 0.00 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.32 1b75 s THR 3 Cb 0.00 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1b75 s THR 3 CO 0.00 -0.75 1.39 -0.63 -0.69 0.00 0.00 174.62 173.94 1b75 s ILE 4 N 1.11 3.66 -0.92 1.82 1.09 -0.67 -4.92 121.20 122.36 1b75 s ILE 4 Ca 0.20 0.35 -0.24 0.00 -1.10 0.00 0.00 60.65 59.86 1b75 s ILE 4 Cb -0.14 -4.74 -0.01 0.00 -1.06 0.00 0.00 42.46 36.51 1b75 s ILE 4 CO -0.04 -1.69 1.73 0.21 -0.10 0.00 0.00 174.94 175.06 1b75 s ASN 5 N 4.57 5.69 0.46 3.58 3.84 -1.26 -1.27 114.94 130.56 1b75 s ASN 5 Ca 0.41 -0.90 0.03 0.00 0.21 0.00 0.00 52.86 52.61 1b75 s ASN 5 Cb -0.09 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1b75 s ASN 5 CO 0.16 -2.23 0.21 0.00 -2.79 0.00 0.00 177.10 172.45 1b75 n ALA 6 N 11.84 0.59 -3.72 1.71 0.00 -0.33 -4.75 120.51 125.85 1b75 n ALA 6 Ca 0.35 -1.94 -0.08 0.00 0.00 0.00 0.00 53.44 51.76 1b75 n ALA 6 Cb 0.49 0.91 -0.02 0.00 0.00 0.00 0.00 19.45 20.83 1b75 n ALA 6 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1b75 s GLU 7 N -3.81 1.57 0.60 0.00 2.12 -1.25 -3.60 118.70 114.32 1b75 s GLU 7 Ca 0.16 -0.80 -0.20 0.00 0.36 0.00 0.00 54.97 54.50 1b75 s GLU 7 Cb -0.01 0.58 -0.03 0.00 0.26 0.00 0.00 34.13 34.92 1b75 s GLU 7 CO 0.10 -0.71 1.28 1.33 -0.54 0.00 0.00 175.26 176.72 1b75 n VAL 8 N -0.43 4.30 -2.34 3.70 0.24 -1.26 -1.63 118.33 120.91 1b75 n VAL 8 Ca -0.08 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.36 1b75 n VAL 8 Cb 0.61 -1.52 -0.03 0.00 -1.47 0.00 0.00 33.84 31.43 1b75 n VAL 8 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1b75 s ARG 9 N -3.07 3.26 -0.47 7.34 3.52 -1.21 -4.53 118.95 123.78 1b75 s ARG 9 Ca 0.77 -1.46 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 1b75 s ARG 9 Cb -0.40 -5.37 0.25 0.00 -1.56 0.00 0.00 34.95 27.87 1b75 s ARG 9 CO 0.45 -3.01 0.94 1.17 -0.81 0.00 0.00 175.30 174.04 1b75 n LYS 10 N 8.44 0.74 -0.29 5.12 3.00 -1.26 -5.02 118.16 128.89 1b75 n LYS 10 Ca 0.45 -1.65 0.07 0.00 -0.00 0.00 0.00 58.31 57.18 1b75 n LYS 10 Cb 0.47 -1.32 0.30 0.00 0.00 0.00 0.00 35.03 34.47 1b75 n LYS 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1b75 h GLU 11 N 3.83 0.86 -2.74 1.64 4.11 -1.99 -3.46 114.58 116.83 1b75 h GLU 11 Ca -0.15 -0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.31 1b75 h GLU 11 Cb 1.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1b75 h GLU 11 CO 0.27 0.57 0.46 -1.14 0.07 0.00 0.00 179.01 179.24 1b75 s GLN 12 N -5.82 1.71 -0.51 1.06 0.74 -1.26 -5.02 119.66 110.57 1b75 s GLN 12 Ca -0.11 -1.11 -0.26 0.00 0.05 0.00 0.00 55.36 53.93 1b75 s GLN 12 Cb 0.21 0.47 -0.05 0.00 1.10 0.00 0.00 33.01 34.74 1b75 s GLN 12 CO 0.79 -0.80 2.19 0.20 -0.55 0.00 0.00 175.29 177.13 1b75 s GLY 13 N -3.30 -0.13 -0.39 2.59 0.00 -1.26 -2.94 107.32 101.89 1b75 s GLY 13 Ca 0.20 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.66 1b75 s GLY 13 CO 0.08 3.85 0.41 0.28 0.00 0.00 0.00 173.10 177.72 1b75 n LYS 14 N 9.03 -2.70 -0.64 2.90 5.02 -1.26 -5.01 118.16 125.51 1b75 n LYS 14 Ca 0.30 2.31 -0.30 0.00 -2.02 0.00 0.00 58.31 58.61 1b75 n LYS 14 Cb 0.53 -5.54 0.20 0.00 -0.02 0.00 0.00 35.03 30.20 1b75 n LYS 14 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1b75 s GLY 15 N -2.29 1.63 0.49 0.72 0.00 -1.15 -4.95 107.32 101.77 1b75 s GLY 15 Ca 0.17 0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.95 1b75 s GLY 15 CO 0.76 0.84 1.35 0.00 0.00 0.00 0.00 173.10 176.06 1b75 s ALA 16 N -2.57 3.04 -0.10 3.20 0.00 -1.26 -4.97 121.76 119.10 1b75 s ALA 16 Ca 0.67 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.90 1b75 s ALA 16 Cb -0.24 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1b75 s ALA 16 CO 0.61 -1.16 -0.15 0.45 0.00 0.00 0.00 175.76 175.51 1b75 n SER 17 N -0.53 0.93 0.40 0.00 2.88 -1.26 -4.31 113.62 111.72 1b75 n SER 17 Ca 0.07 0.15 -0.19 0.00 -1.33 0.00 0.00 58.87 57.58 1b75 n SER 17 Cb 0.44 -0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 63.44 1b75 n SER 17 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1b75 h ARG 18 N -0.41 -1.11 -0.51 -1.46 2.47 -1.99 -0.44 114.38 110.93 1b75 h ARG 18 Ca -0.24 0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1b75 h ARG 18 Cb 1.10 0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 29.64 1b75 h ARG 18 CO -0.14 -0.74 0.30 -0.09 0.56 0.00 0.00 179.97 179.86 1b75 h ARG 19 N -1.15 0.70 0.24 0.04 9.65 -1.96 -1.11 114.38 120.79 1b75 h ARG 19 Ca -0.10 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1b75 h ARG 19 Cb 0.93 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.34 1b75 h ARG 19 CO 0.07 0.52 -0.39 1.25 2.80 0.00 0.00 179.97 184.22 1b75 h LEU 20 N 0.69 -1.10 -1.03 3.80 5.85 -1.73 -0.86 115.31 120.93 1b75 h LEU 20 Ca 0.18 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1b75 h LEU 20 Cb 0.00 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1b75 h LEU 20 CO -0.03 -0.50 0.26 -0.09 -0.34 0.00 0.00 178.44 177.74 1b75 h ARG 21 N -0.70 0.96 0.21 1.25 2.43 -0.90 -3.04 114.38 114.59 1b75 h ARG 21 Ca -0.00 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1b75 h ARG 21 Cb 0.68 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1b75 h ARG 21 CO -0.15 0.78 -0.10 0.00 -1.51 0.00 0.00 179.97 178.99 1b75 h ALA 22 N 1.35 -1.01 0.00 2.80 0.00 -1.05 -3.47 119.26 117.88 1b75 h ALA 22 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b75 h ALA 22 Cb 0.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b75 h ALA 22 CO -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.25 1b75 n ALA 23 N -2.15 0.00 -3.22 0.00 0.00 -0.36 -5.10 120.51 109.68 1b75 n ALA 23 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1b75 n ALA 23 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1b75 n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1b75 s ASN 24 N 0.00 -1.24 -0.62 0.00 2.47 -1.02 -4.86 114.94 109.67 1b75 s ASN 24 Ca 0.00 -0.65 -0.01 0.00 0.42 0.00 0.00 52.86 52.61 1b75 s ASN 24 Cb 0.00 1.82 -0.02 0.00 -1.45 0.00 0.00 41.25 41.61 1b75 s ASN 24 CO 0.00 -0.21 0.57 1.17 -3.72 0.00 0.00 177.10 174.91 1b75 n LYS 25 N 4.63 -1.20 -1.47 0.43 4.81 -1.26 -4.27 118.16 119.83 1b75 n LYS 25 Ca 0.09 1.03 -0.34 0.00 -0.87 0.00 0.00 58.31 58.23 1b75 n LYS 25 Cb 0.55 -4.64 0.08 0.00 0.02 0.00 0.00 35.03 31.05 1b75 n LYS 25 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1b75 s PHE 26 N -3.10 2.19 0.42 5.64 -0.71 -1.02 -4.55 117.98 116.85 1b75 s PHE 26 Ca 0.11 1.60 -0.16 0.00 -1.04 0.00 0.00 56.93 57.45 1b75 s PHE 26 Cb -0.01 -3.37 -0.09 0.00 -1.21 0.00 0.00 43.02 38.34 1b75 s PHE 26 CO 0.55 -2.35 0.86 -1.25 -1.34 0.00 0.00 175.22 171.69 1b75 s PRO 27 N -4.02 3.99 0.19 1.99 0.04 -1.26 -2.06 135.00 133.86 1b75 s PRO 27 Ca 0.72 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 1b75 s PRO 27 Cb -0.26 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1b75 s PRO 27 CO 0.45 -0.05 0.27 0.00 0.04 0.00 0.00 177.00 177.71 1b75 s ALA 28 N -2.30 0.31 0.06 8.56 0.00 -0.57 -4.48 121.76 123.34 1b75 s ALA 28 Ca 0.57 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1b75 s ALA 28 Cb -0.10 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1b75 s ALA 28 CO 0.23 -0.67 -0.15 0.42 0.00 0.00 0.00 175.76 175.60 1b75 s ILE 29 N -4.03 1.20 0.01 0.00 1.01 -0.46 -1.01 121.20 117.92 1b75 s ILE 29 Ca 0.24 -1.23 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1b75 s ILE 29 Cb 0.04 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1b75 s ILE 29 CO 0.05 -0.11 -0.09 -0.63 0.00 0.00 0.00 174.94 174.16 1b75 s ILE 30 N -1.10 3.46 0.34 2.92 1.01 -0.80 -1.80 121.20 125.23 1b75 s ILE 30 Ca 0.00 -0.86 0.09 0.00 0.00 0.00 0.00 60.65 59.89 1b75 s ILE 30 Cb -0.09 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 1b75 s ILE 30 CO 0.02 0.39 -0.04 -0.31 0.00 0.00 0.00 174.94 175.00 1b75 s TYR 31 N -0.98 2.48 -0.23 3.97 1.51 0.01 -2.42 117.35 121.70 1b75 s TYR 31 Ca 0.16 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1b75 s TYR 31 Cb -0.11 -1.42 0.25 0.00 -0.11 0.00 0.00 41.96 40.57 1b75 s TYR 31 CO 0.07 0.53 1.16 0.41 -1.11 0.00 0.00 175.55 176.62 1b75 n GLY 32 N -0.87 0.85 6.07 0.71 0.00 -0.78 -2.50 105.19 108.66 1b75 n GLY 32 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.93 0.25 0.13 -0.02 0.00 -1.26 -1.34 105.19 102.02 1b75 n GLY 33 Ca -0.12 0.67 -0.07 0.00 0.00 0.00 0.00 46.02 46.51 1b75 n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1b75 h LYS 34 N 0.00 0.03 -5.98 1.61 3.11 -2.06 -3.35 116.57 109.93 1b75 h LYS 34 Ca 0.00 -0.00 -0.51 0.00 -2.81 0.00 0.00 60.65 57.33 1b75 h LYS 34 Cb 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 1b75 h LYS 34 CO 0.00 0.02 1.39 -2.00 -2.81 0.00 0.00 179.45 176.05 1b75 s GLU 35 N -6.20 2.70 0.60 1.90 2.12 -0.45 -4.97 118.70 114.40 1b75 s GLU 35 Ca -0.13 0.94 -0.20 0.00 0.36 0.00 0.00 54.97 55.93 1b75 s GLU 35 Cb 0.12 -4.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.10 1b75 s GLU 35 CO 0.70 -2.63 1.31 0.00 -0.54 0.00 0.00 175.26 174.10 1b75 s ALA 36 N 9.12 2.59 0.72 6.30 0.00 -1.26 -1.87 121.76 137.35 1b75 s ALA 36 Ca 0.75 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.83 1b75 s ALA 36 Cb -0.16 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.44 1b75 s ALA 36 CO 0.25 -1.46 1.11 -1.25 0.00 0.00 0.00 175.76 174.40 1b75 s PRO 37 N -3.16 2.48 0.00 0.00 0.04 -1.26 -4.78 135.00 128.31 1b75 s PRO 37 Ca 0.77 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1b75 s PRO 37 Cb -0.38 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1b75 s PRO 37 CO 0.43 -1.49 0.40 -0.48 0.04 0.00 0.00 177.00 175.89 1b75 s LEU 38 N -5.37 0.48 -0.05 -3.56 -0.00 -1.02 -5.01 118.68 104.15 1b75 s LEU 38 Ca 0.65 0.13 -0.03 0.00 -0.00 0.00 0.00 54.13 54.88 1b75 s LEU 38 Cb -0.20 1.62 -0.04 0.00 -0.00 0.00 0.00 46.19 47.57 1b75 s LEU 38 CO 0.48 -0.56 0.12 0.00 -0.00 0.00 0.00 176.35 176.40 1b75 s ALA 39 N -1.78 3.75 0.23 1.48 0.00 -1.26 -1.91 121.76 122.27 1b75 s ALA 39 Ca -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1b75 s ALA 39 Cb -0.03 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 1b75 s ALA 39 CO 0.02 0.67 0.28 0.96 0.00 0.00 0.00 175.76 177.69 1b75 s ILE 40 N -1.14 0.00 -0.23 0.00 -4.36 -0.18 -3.35 121.20 111.94 1b75 s ILE 40 Ca 0.20 -1.76 -0.07 0.00 -0.26 0.00 0.00 60.65 58.76 1b75 s ILE 40 Cb -0.12 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1b75 s ILE 40 CO 0.10 0.00 0.06 -1.61 0.24 0.00 0.00 174.94 173.73 1b75 s GLU 41 N -4.02 3.70 -0.25 0.37 2.02 -0.65 -1.51 118.70 118.37 1b75 s GLU 41 Ca 0.33 -0.46 -0.04 0.00 0.02 0.00 0.00 54.97 54.82 1b75 s GLU 41 Cb 0.04 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 31.01 1b75 s GLU 41 CO 0.12 -0.08 -0.03 -0.51 0.02 0.00 0.00 175.26 174.78 1b75 s LEU 42 N 1.31 3.19 -0.11 1.80 1.02 -0.88 -3.92 118.68 121.10 1b75 s LEU 42 Ca 0.05 -0.64 -0.29 0.00 0.02 0.00 0.00 54.13 53.27 1b75 s LEU 42 Cb -0.15 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 1b75 s LEU 42 CO 0.03 -0.09 1.47 -0.62 0.02 0.00 0.00 176.35 177.15 1b75 s ASP 43 N 1.42 6.79 -1.50 2.29 2.15 -1.26 -2.44 116.67 124.12 1b75 s ASP 43 Ca 0.03 1.95 -0.11 0.00 0.43 0.00 0.00 52.55 54.86 1b75 s ASP 43 Cb -0.16 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 39.86 1b75 s ASP 43 CO -0.03 -0.86 2.72 1.57 -0.17 0.00 0.00 175.17 178.40 1b75 n HIS 44 N 6.93 2.48 0.00 -5.34 -0.00 -1.26 -3.30 115.22 114.74 1b75 n HIS 44 Ca 0.16 -2.92 0.00 0.00 -0.00 0.00 0.00 57.72 54.96 1b75 n HIS 44 Cb 0.44 -2.40 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 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 4.19 0.00 -0.36 0.26 8.00 -1.26 -4.92 116.55 122.46 1b75 n ASP 45 Ca 0.70 0.00 0.01 0.00 0.71 0.00 0.00 54.79 56.21 1b75 n ASP 45 Cb 0.25 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.51 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 1.14 -0.47 -1.24 1.57 -2.01 -2.14 116.57 113.42 1b75 h LYS 46 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1b75 h LYS 46 Cb 0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1b75 h LYS 46 CO 0.00 0.75 0.31 -0.24 -0.57 0.00 0.00 179.45 179.70 1b75 h VAL 47 N 1.17 1.12 -0.09 0.50 3.04 -1.92 -1.45 116.25 118.62 1b75 h VAL 47 Ca 0.41 -0.23 -0.03 0.00 -1.01 0.00 0.00 66.70 65.83 1b75 h VAL 47 Cb 0.10 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 29.81 1b75 h VAL 47 CO -0.15 0.12 -0.07 -0.03 -1.01 0.00 0.00 177.57 176.43 1b75 h MET 48 N 0.64 0.21 -0.63 4.17 4.05 -1.64 0.59 114.93 122.32 1b75 h MET 48 Ca 0.17 -0.10 0.09 0.00 -0.28 0.00 0.00 59.70 59.58 1b75 h MET 48 Cb -0.07 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.66 1b75 h MET 48 CO -0.04 0.61 0.27 -0.91 0.23 0.00 0.00 176.91 177.07 1b75 h ASN 49 N -0.18 0.30 -0.12 1.39 4.21 -1.36 -1.99 115.58 117.84 1b75 h ASN 49 Ca 0.02 0.07 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1b75 h ASN 49 Cb 0.56 0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1b75 h ASN 49 CO 0.02 0.18 -0.05 0.24 -1.29 0.00 0.00 177.43 176.53 1b75 h MET 50 N 0.47 0.24 -0.24 0.81 2.86 -1.21 -3.35 114.93 114.51 1b75 h MET 50 Ca 0.31 -0.10 -0.17 0.00 -2.06 0.00 0.00 59.70 57.68 1b75 h MET 50 Cb 0.35 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1b75 h MET 50 CO -0.28 0.57 -0.52 -0.56 1.06 0.00 0.00 176.91 177.18 1b75 h GLN 51 N -0.10 0.70 0.00 1.72 -0.00 -0.52 -3.44 115.11 113.46 1b75 h GLN 51 Ca 0.03 -0.43 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1b75 h GLN 51 Cb 0.50 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1b75 h GLN 51 CO 0.02 1.05 0.00 0.00 -0.00 0.00 0.00 178.83 179.89 1b75 n ALA 52 N -2.54 0.00 -3.53 0.06 0.00 -0.78 -4.42 120.51 109.30 1b75 n ALA 52 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1b75 n ALA 52 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 1b75 n ALA 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1b75 s LYS 53 N 0.00 0.80 0.00 0.00 2.47 -1.26 -4.94 119.74 116.81 1b75 s LYS 53 Ca 0.00 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.39 1b75 s LYS 53 Cb 0.00 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.74 1b75 s LYS 53 CO 0.00 -0.29 0.00 0.00 0.16 0.00 0.00 175.35 175.22 1b75 n ALA 54 N 0.38 0.00 -0.23 3.13 0.00 -1.26 -4.13 120.51 118.40 1b75 n ALA 54 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1b75 n ALA 54 Cb 0.59 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.17 1b75 n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1b75 h GLU 55 N 0.00 0.48 -1.99 0.00 5.08 -1.96 -2.93 114.58 113.26 1b75 h GLU 55 Ca 0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1b75 h GLU 55 Cb 0.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1b75 h GLU 55 CO 0.00 0.32 -0.23 0.34 -1.00 0.00 0.00 179.01 178.43 1b75 n PHE 56 N -4.94 0.14 0.02 4.33 7.35 -1.26 -1.37 117.46 121.73 1b75 n PHE 56 Ca 0.10 -1.43 0.00 0.00 -0.76 0.00 0.00 57.45 55.36 1b75 n PHE 56 Cb 0.29 -1.33 0.00 0.00 0.35 0.00 0.00 39.48 38.79 1b75 n PHE 56 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1b75 n TYR 57 N 2.12 -1.90 -0.03 -5.13 4.01 -1.11 -4.76 117.16 110.36 1b75 n TYR 57 Ca 0.34 0.09 -0.15 0.00 -0.16 0.00 0.00 57.90 58.02 1b75 n TYR 57 Cb 0.80 0.68 -0.10 0.00 -0.31 0.00 0.00 39.34 40.40 1b75 n TYR 57 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1b75 h SER 58 N 0.00 0.26 -0.38 7.72 4.64 -1.46 -3.38 113.55 120.94 1b75 h SER 58 Ca 0.00 -0.70 -0.26 0.00 -0.47 0.00 0.00 61.79 60.36 1b75 h SER 58 Cb 0.00 -0.08 -0.10 0.00 -0.31 0.00 0.00 62.40 61.91 1b75 h SER 58 CO 0.00 0.93 0.08 -0.62 -0.87 0.00 0.00 176.83 176.35 1b75 n GLU 59 N -4.51 1.84 -3.31 4.77 1.02 -0.47 -4.87 120.64 115.11 1b75 n GLU 59 Ca -0.09 -1.26 -0.06 0.00 -0.02 0.00 0.00 57.16 55.73 1b75 n GLU 59 Cb 0.48 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1b75 n GLU 59 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1b75 n VAL 60 N 1.37 -0.44 -1.67 2.62 0.24 -1.26 -4.82 118.33 114.37 1b75 n VAL 60 Ca 0.32 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 62.19 1b75 n VAL 60 Cb 0.66 -0.38 0.05 0.00 -1.47 0.00 0.00 33.84 32.69 1b75 n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b75 n LEU 61 N -1.25 4.49 -4.22 1.34 -0.00 -1.04 -4.54 117.00 111.78 1b75 n LEU 61 Ca -0.03 0.87 -0.30 0.00 -0.00 0.00 0.00 56.01 56.55 1b75 n LEU 61 Cb 0.09 -1.46 -0.17 0.00 -0.00 0.00 0.00 43.42 41.89 1b75 n LEU 61 CO 0.11 -1.35 -0.55 -0.89 -0.00 0.00 0.00 177.39 174.71 1b75 s THR 62 N -1.41 1.90 -0.15 1.47 2.01 -1.17 -1.11 115.64 117.17 1b75 s THR 62 Ca 0.75 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1b75 s THR 62 Cb -0.42 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1b75 s THR 62 CO 0.47 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.19 1b75 s ILE 63 N 0.02 3.13 -0.50 1.82 1.01 -0.43 -1.67 121.20 124.58 1b75 s ILE 63 Ca -0.08 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 1b75 s ILE 63 Cb -0.14 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.02 1b75 s ILE 63 CO 0.05 0.50 0.92 -0.69 0.00 0.00 0.00 174.94 175.72 1b75 s VAL 64 N 0.59 4.45 -0.74 2.92 1.01 -0.40 -0.82 120.40 127.42 1b75 s VAL 64 Ca -0.07 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 1b75 s VAL 64 Cb -0.15 -4.47 0.19 0.00 0.00 0.00 0.00 36.38 31.95 1b75 s VAL 64 CO 0.03 -0.94 0.62 0.68 0.00 0.00 0.00 175.10 175.49 1b75 s VAL 65 N 3.79 4.58 -0.84 2.92 -7.23 -0.39 -1.18 120.40 122.04 1b75 s VAL 65 Ca 0.33 -2.88 -0.03 0.00 -1.81 0.00 0.00 61.98 57.59 1b75 s VAL 65 Cb -0.11 -3.89 -0.00 0.00 0.56 0.00 0.00 36.38 32.94 1b75 s VAL 65 CO 0.23 -0.96 0.69 -0.67 -0.31 0.00 0.00 175.10 174.07 1b75 n ASP 66 N 3.54 -6.39 0.00 4.85 2.03 -1.24 -2.87 116.55 116.48 1b75 n ASP 66 Ca 0.12 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1b75 n ASP 66 Cb 0.41 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 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 1.85 3.61 0.27 0.00 -1.26 -4.96 105.19 102.99 1b75 n GLY 67 Ca -0.13 -0.21 -0.43 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 3.32 -1.26 1.61 1.02 -1.14 -4.90 119.74 118.39 1b75 s LYS 68 Ca 0.00 1.83 -0.19 0.00 0.02 0.00 0.00 55.97 57.63 1b75 s LYS 68 Cb 0.00 -4.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 1b75 s LYS 68 CO 0.00 -1.88 1.83 0.39 -0.92 0.00 0.00 175.35 174.77 1b75 n GLU 69 N 8.48 2.66 -2.43 1.68 1.02 -1.26 -1.26 120.64 129.53 1b75 n GLU 69 Ca 0.26 -2.96 -0.43 0.00 -0.02 0.00 0.00 57.16 54.01 1b75 n GLU 69 Cb 0.45 -3.54 -0.02 0.00 -0.02 0.00 0.00 31.44 28.31 1b75 n GLU 69 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b75 s ILE 70 N 6.21 3.94 -0.26 -3.67 1.01 -0.00 -4.86 121.20 123.56 1b75 s ILE 70 Ca 0.58 0.91 -0.21 0.00 0.00 0.00 0.00 60.65 61.93 1b75 s ILE 70 Cb 0.04 -4.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 1b75 s ILE 70 CO 0.09 -0.97 0.66 -0.75 0.00 0.00 0.00 174.94 173.97 1b75 s LYS 71 N 5.01 4.09 0.14 2.79 2.20 -1.26 -1.32 119.74 131.39 1b75 s LYS 71 Ca 0.55 0.57 0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1b75 s LYS 71 Cb -0.11 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1b75 s LYS 71 CO 0.30 -0.46 0.05 1.33 -0.36 0.00 0.00 175.35 176.21 1b75 n VAL 72 N 5.24 0.00 -1.24 4.02 0.24 -0.26 -1.94 118.33 124.39 1b75 n VAL 72 Ca 0.00 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1b75 n VAL 72 Cb 0.49 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1b75 n VAL 72 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1b75 n LYS 73 N -0.32 0.00 -2.22 7.34 4.81 0.18 -2.50 118.16 125.45 1b75 n LYS 73 Ca -0.02 -0.15 -0.04 0.00 -0.87 0.00 0.00 58.31 57.23 1b75 n LYS 73 Cb 0.21 -0.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.84 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 0.00 -3.45 -0.02 3.14 0.00 -1.26 -4.50 120.51 114.43 1b75 n ALA 74 Ca 0.00 1.63 -0.01 0.00 0.00 0.00 0.00 53.44 55.06 1b75 n ALA 74 Cb 0.35 -3.20 -0.00 0.00 0.00 0.00 0.00 19.45 16.60 1b75 n ALA 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1b75 h GLN 75 N 2.78 0.00 -4.24 0.00 -0.00 -1.67 -3.45 115.11 108.53 1b75 h GLN 75 Ca -0.38 0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 57.78 1b75 h GLN 75 Cb 0.85 0.00 -0.35 0.00 0.00 0.00 0.00 27.48 27.98 1b75 h GLN 75 CO 0.01 0.00 -0.80 0.34 0.00 0.00 0.00 178.83 178.38 1b75 s ASP 76 N -3.96 1.78 -0.12 -0.69 2.15 -0.66 -5.04 116.67 110.14 1b75 s ASP 76 Ca -0.03 -0.25 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 1b75 s ASP 76 Cb 0.00 -0.73 0.06 0.00 -0.30 0.00 0.00 42.92 41.95 1b75 s ASP 76 CO 0.04 -0.07 0.22 0.68 -0.17 0.00 0.00 175.17 175.88 1b75 s VAL 77 N 1.26 -0.35 -1.44 1.11 -7.23 -1.26 -0.85 120.40 111.64 1b75 s VAL 77 Ca -0.04 0.29 -0.07 0.00 -1.81 0.00 0.00 61.98 60.35 1b75 s VAL 77 Cb -0.14 -0.40 0.04 0.00 0.56 0.00 0.00 36.38 36.45 1b75 s VAL 77 CO -0.03 0.11 2.59 0.00 -0.31 0.00 0.00 175.10 177.47 1b75 n GLN 78 N 5.34 4.21 -2.43 4.82 3.00 -0.64 -4.95 117.38 126.73 1b75 n GLN 78 Ca -0.05 -2.97 -0.41 0.00 -0.01 0.00 0.00 57.00 53.55 1b75 n GLN 78 Cb 0.50 -2.72 -0.04 0.00 0.00 0.00 0.00 30.24 27.99 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 1b75 s ARG 79 N 0.22 4.52 -0.33 -1.09 3.03 -1.26 -3.51 118.95 120.52 1b75 s ARG 79 Ca 0.60 1.80 0.01 0.00 2.03 0.00 0.00 55.73 60.17 1b75 s ARG 79 Cb 0.18 -3.27 0.09 0.00 -1.03 0.00 0.00 34.95 30.91 1b75 s ARG 79 CO -0.08 -0.06 0.04 -1.58 -1.13 0.00 0.00 175.30 172.49 1b75 s HIS 80 N 0.09 3.55 0.74 5.89 2.46 -1.26 -5.01 115.29 121.75 1b75 s HIS 80 Ca 0.53 -2.57 -0.11 0.00 0.47 0.00 0.00 55.06 53.38 1b75 s HIS 80 Cb -0.31 -2.65 0.03 0.00 -0.13 0.00 0.00 32.58 29.53 1b75 s HIS 80 CO 0.35 -0.92 1.08 -1.25 -2.47 0.00 0.00 174.74 171.52 1b75 s PRO 81 N 1.05 2.57 0.00 2.88 0.04 -1.26 -3.80 135.00 136.48 1b75 s PRO 81 Ca 0.04 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1b75 s PRO 81 Cb -0.20 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1b75 s PRO 81 CO -0.06 -1.38 0.00 0.66 0.04 0.00 0.00 177.00 176.27 1b75 n TYR 82 N -3.33 0.00 -3.69 0.56 4.01 -1.26 -4.67 117.16 108.79 1b75 n TYR 82 Ca 0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.44 1b75 n TYR 82 Cb 0.53 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.46 1b75 n TYR 82 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1b75 s LYS 83 N 0.00 2.47 0.61 -0.72 1.02 -1.26 -5.10 119.74 116.76 1b75 s LYS 83 Ca 0.00 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 54.34 1b75 s LYS 83 Cb 0.00 -3.64 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1b75 s LYS 83 CO 0.00 -0.91 1.11 -1.25 -0.92 0.00 0.00 175.35 173.39 1b75 s PRO 84 N 1.35 3.03 0.00 -1.68 0.04 -1.25 -4.69 135.00 131.80 1b75 s PRO 84 Ca 0.03 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1b75 s PRO 84 Cb -0.22 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1b75 s PRO 84 CO 0.01 -1.08 0.00 1.17 0.04 0.00 0.00 177.00 177.13 1b75 n LYS 85 N -1.98 0.00 -3.53 4.56 3.00 -1.26 -5.02 118.16 113.92 1b75 n LYS 85 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.24 1b75 n LYS 85 Cb 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 35.03 35.54 1b75 n LYS 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1b75 n LEU 86 N -2.38 -3.66 0.10 3.14 4.77 -1.26 -4.93 117.00 112.77 1b75 n LEU 86 Ca 0.00 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 55.17 1b75 n LEU 86 Cb 0.00 -2.32 -0.08 0.00 -2.33 0.00 0.00 43.42 38.69 1b75 n LEU 86 CO 0.00 -0.10 0.60 1.56 -1.33 0.00 0.00 177.39 178.12 1b75 h GLN 87 N -0.34 -0.25 -3.15 3.23 4.20 -1.97 -3.47 115.11 113.36 1b75 h GLN 87 Ca -0.43 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 1b75 h GLN 87 Cb 1.26 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.97 1b75 h GLN 87 CO 0.37 0.09 0.11 -1.58 -0.67 0.00 0.00 178.83 177.14 1b75 s HIS 88 N -4.68 -0.40 -0.04 2.96 2.46 -1.26 -4.89 115.29 109.45 1b75 s HIS 88 Ca -0.14 0.14 -0.01 0.00 0.47 0.00 0.00 55.06 55.51 1b75 s HIS 88 Cb 0.02 0.45 0.03 0.00 -0.13 0.00 0.00 32.58 32.96 1b75 s HIS 88 CO 0.59 -0.81 0.07 0.42 -2.47 0.00 0.00 174.74 172.54 1b75 s ILE 89 N -3.78 -0.08 -0.27 0.89 -1.09 -1.26 -1.61 121.20 114.00 1b75 s ILE 89 Ca 0.02 0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1b75 s ILE 89 Cb -0.00 -0.15 0.08 0.00 -1.58 0.00 0.00 42.46 40.81 1b75 s ILE 89 CO -0.12 0.11 0.03 -1.81 -1.23 0.00 0.00 174.94 171.91 1b75 s ASP 90 N 1.38 3.90 0.52 3.58 1.11 -0.03 -1.36 116.67 125.77 1b75 s ASP 90 Ca -0.06 -1.42 -0.04 0.00 0.18 0.00 0.00 52.55 51.21 1b75 s ASP 90 Cb -0.12 -1.05 -0.01 0.00 1.07 0.00 0.00 42.92 42.81 1b75 s ASP 90 CO -0.04 -0.33 0.80 -0.36 1.18 0.00 0.00 175.17 176.42 1b75 s PHE 91 N 1.47 3.32 0.02 4.23 0.08 -0.74 -1.65 117.98 124.71 1b75 s PHE 91 Ca 0.03 0.56 0.02 0.00 0.12 0.00 0.00 56.93 57.66 1b75 s PHE 91 Cb -0.18 -2.50 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1b75 s PHE 91 CO -0.13 -0.54 -0.08 0.54 -0.10 0.00 0.00 175.22 174.91 1b75 s VAL 92 N -2.79 0.59 0.36 -0.44 0.11 -1.26 -0.81 120.40 116.16 1b75 s VAL 92 Ca 0.50 -0.67 -0.26 0.00 -2.93 0.00 0.00 61.98 58.62 1b75 s VAL 92 Cb -0.10 -0.56 -0.12 0.00 -1.53 0.00 0.00 36.38 34.06 1b75 s VAL 92 CO 0.43 -0.08 1.04 0.54 -3.33 0.00 0.00 175.10 173.71 1b75 n ARG 93 N 2.24 1.46 0.00 1.54 5.12 -1.04 -0.64 116.66 125.34 1b75 n ARG 93 Ca -0.17 0.52 0.10 0.00 -1.93 0.00 0.00 57.85 56.37 1b75 n ARG 93 Cb 0.56 -2.00 0.60 0.00 -1.16 0.00 0.00 32.46 30.46 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70