#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 n GLY 2 N 0.00 0.00 3.71 0.00 0.00 -1.26 -5.14 105.19 102.51 1x37 n GLY 2 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1x37 n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x37 s TYR 3 N 0.00 3.54 0.18 1.61 2.02 -1.26 -5.06 117.35 118.38 1x37 s TYR 3 Ca 0.00 1.10 0.08 0.00 -0.37 0.00 0.00 57.07 57.89 1x37 s TYR 3 Cb 0.00 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 1x37 s TYR 3 CO 0.00 0.09 -0.07 0.95 -1.57 0.00 0.00 175.55 174.96 1x37 s THR 4 N 0.84 3.35 0.33 -0.71 -4.23 -1.26 -5.00 115.64 108.95 1x37 s THR 4 Ca 0.33 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1x37 s THR 4 Cb -0.17 -2.67 0.32 0.00 1.34 0.00 0.00 72.50 71.33 1x37 s THR 4 CO 0.15 -0.11 1.73 -0.33 -0.54 0.00 0.00 174.62 175.52 1x37 h GLU 5 N 2.84 0.55 0.88 3.99 5.08 -1.99 -1.48 114.58 124.45 1x37 h GLU 5 Ca -0.47 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 1x37 h GLU 5 Cb 1.20 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.34 1x37 h GLU 5 CO 0.55 0.37 -0.45 0.82 -1.00 0.00 0.00 179.01 179.30 1x37 h ILE 6 N 0.57 0.09 -0.34 3.13 2.04 -1.98 -0.07 117.51 120.95 1x37 h ILE 6 Ca 0.64 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.55 1x37 h ILE 6 Cb 1.24 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 1x37 h ILE 6 CO -0.45 0.00 -0.54 -0.33 0.00 0.00 0.00 178.15 176.83 1x37 h GLU 7 N -1.21 -0.42 -1.00 2.37 5.08 -1.68 0.35 114.58 118.05 1x37 h GLU 7 Ca -0.12 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.47 1x37 h GLU 7 Cb 0.94 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 1x37 h GLU 7 CO 0.18 -0.28 0.61 0.87 -1.00 0.00 0.00 179.01 179.39 1x37 h LYS 8 N -0.44 0.69 -0.39 2.33 1.57 -1.37 0.59 116.57 119.55 1x37 h LYS 8 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1x37 h LYS 8 Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1x37 h LYS 8 CO -0.55 0.45 0.11 1.25 -0.57 0.00 0.00 179.45 180.14 1x37 h LEU 9 N 0.71 0.57 0.58 2.94 5.85 0.15 0.23 115.31 126.34 1x37 h LEU 9 Ca 0.59 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1x37 h LEU 9 Cb 0.99 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1x37 h LEU 9 CO -0.38 0.63 -0.44 -0.08 -0.34 0.00 0.00 178.44 177.83 1x37 h GLU 10 N 0.48 -0.95 0.50 1.25 4.81 0.16 -1.17 114.58 119.65 1x37 h GLU 10 Ca 0.12 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1x37 h GLU 10 Cb 0.27 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1x37 h GLU 10 CO -0.00 -0.63 -0.24 -0.84 -0.73 0.00 0.00 179.01 176.57 1x37 h ILE 11 N -0.99 0.00 -1.13 2.32 3.07 -1.35 -1.49 117.51 117.95 1x37 h ILE 11 Ca -0.07 -0.17 0.43 0.00 1.55 0.00 0.00 64.86 66.60 1x37 h ILE 11 Cb 0.83 0.00 -0.15 0.00 -0.27 0.00 0.00 36.82 37.23 1x37 h ILE 11 CO 0.02 0.00 0.68 0.52 -1.05 0.00 0.00 178.15 178.32 1x37 n VAL 12 N -4.26 -0.31 0.14 0.16 0.31 0.80 0.48 118.33 115.64 1x37 n VAL 12 Ca -0.08 1.81 -0.23 0.00 -0.01 0.00 0.00 64.34 65.82 1x37 n VAL 12 Cb 0.26 -2.95 -0.16 0.00 -0.91 0.00 0.00 33.84 30.09 1x37 n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x37 h LYS 13 N 0.00 0.49 0.00 5.55 1.57 -1.09 -3.26 116.57 119.84 1x37 h LYS 13 Ca 0.82 -0.84 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1x37 h LYS 13 Cb 2.42 0.31 -0.00 0.00 0.08 0.00 0.00 32.23 35.04 1x37 h LYS 13 CO -0.58 1.40 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.19 1x37 h ASP 14 N 0.13 0.00 -0.98 0.86 5.19 0.11 -3.37 116.42 118.37 1x37 h ASP 14 Ca -0.25 -0.38 0.16 0.00 -0.62 0.00 0.00 57.03 55.93 1x37 h ASP 14 Cb 2.14 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.56 1x37 h ASP 14 CO 0.26 0.73 0.61 1.12 -3.12 0.00 0.00 179.24 178.85 1x37 h HIS 15 N -1.00 1.01 -1.18 4.55 2.07 -0.79 -2.38 115.15 117.42 1x37 h HIS 15 Ca -0.01 0.03 0.40 0.00 -2.85 0.00 0.00 60.37 57.94 1x37 h HIS 15 Cb 0.44 -0.31 -0.14 0.00 2.57 0.00 0.00 27.41 29.97 1x37 h HIS 15 CO 0.09 0.32 0.73 1.37 -3.07 0.00 0.00 177.93 177.37 1x37 h LEU 16 N 0.81 0.32 0.00 6.12 8.10 -1.71 0.18 115.31 129.13 1x37 h LEU 16 Ca 0.52 0.17 -0.00 0.00 0.11 0.00 0.00 57.88 58.67 1x37 h LEU 16 Cb 0.74 0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 41.10 1x37 h LEU 16 CO -0.29 -0.21 -0.04 -0.07 -4.11 0.00 0.00 178.44 173.72 1x37 h LEU 17 N 0.13 0.00 0.01 0.17 3.38 -1.65 -3.33 115.31 114.02 1x37 h LEU 17 Ca 0.80 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.58 1x37 h LEU 17 Cb 2.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1x37 h LEU 17 CO -0.52 0.62 -0.00 -0.65 0.09 0.00 0.00 178.44 177.97 1x37 h PRO 18 N -1.00 -0.01 0.00 1.13 0.11 -1.56 -2.62 132.00 128.05 1x37 h PRO 18 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1x37 h PRO 18 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1x37 h PRO 18 CO -0.00 0.48 0.00 1.17 -0.21 0.00 0.00 178.00 179.44 1x37 n LYS 19 N -4.86 0.00 -0.34 1.05 3.00 0.58 -0.50 118.16 117.10 1x37 n LYS 19 Ca -0.08 0.22 0.02 0.00 -0.00 0.00 0.00 58.31 58.47 1x37 n LYS 19 Cb 0.25 -1.03 0.08 0.00 0.00 0.00 0.00 35.03 34.34 1x37 n LYS 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x37 h GLN 20 N 0.00 -0.02 -0.99 1.64 7.50 -1.67 0.68 115.11 122.26 1x37 h GLN 20 Ca 0.00 0.00 0.19 0.00 0.50 0.00 0.00 58.65 59.34 1x37 h GLN 20 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.44 1x37 h GLN 20 CO 0.00 -0.01 0.61 0.82 -1.50 0.00 0.00 178.83 178.75 1x37 h ILE 21 N -0.02 0.72 0.00 2.54 1.08 -1.29 0.13 117.51 120.67 1x37 h ILE 21 Ca 0.39 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 1x37 h ILE 21 Cb 0.64 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1x37 h ILE 21 CO -0.94 0.13 0.00 0.29 -0.69 0.00 0.00 178.15 176.94 1x37 n LYS 22 N -4.70 0.00 -0.31 2.37 5.02 0.23 0.47 118.16 121.24 1x37 n LYS 22 Ca 0.22 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.82 1x37 n LYS 22 Cb 0.58 -0.69 0.56 0.00 -0.02 0.00 0.00 35.03 35.46 1x37 n LYS 22 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1x37 n GLU 23 N -0.48 -0.06 0.12 1.97 4.07 -1.05 0.21 120.64 125.42 1x37 n GLU 23 Ca 0.00 1.33 -0.22 0.00 -0.06 0.00 0.00 57.16 58.22 1x37 n GLU 23 Cb 0.00 -2.39 -0.15 0.00 -0.06 0.00 0.00 31.44 28.84 1x37 n GLU 23 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x37 h HIS 24 N 0.00 0.79 -1.25 4.31 3.86 -0.80 -3.29 115.15 118.78 1x37 h HIS 24 Ca 0.82 -0.58 0.45 0.00 -1.16 0.00 0.00 60.37 59.90 1x37 h HIS 24 Cb 2.15 -0.03 -0.15 0.00 1.06 0.00 0.00 27.41 30.45 1x37 h HIS 24 CO -0.02 1.51 0.77 0.41 0.86 0.00 0.00 177.93 181.46 1x37 n GLY 25 N 1.70 -0.79 0.27 2.45 0.00 1.70 -0.03 105.19 110.48 1x37 n GLY 25 Ca -0.16 0.75 0.27 0.00 0.00 0.00 0.00 46.02 46.88 1x37 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x37 n LEU 26 N -4.80 0.28 -4.96 0.99 4.32 -1.00 -4.15 117.00 107.68 1x37 n LEU 26 Ca 0.39 1.36 -0.21 0.00 -0.02 0.00 0.00 56.01 57.53 1x37 n LEU 26 Cb 1.46 -0.67 -0.02 0.00 -1.62 0.00 0.00 43.42 42.57 1x37 n LEU 26 CO 0.13 -1.53 -0.05 -0.54 -1.22 0.00 0.00 177.39 174.19 1x37 s LYS 27 N -5.24 3.41 0.18 3.23 1.02 0.95 -5.01 119.74 118.28 1x37 s LYS 27 Ca -0.07 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 1x37 s LYS 27 Cb 0.28 -2.88 -0.17 0.00 -0.52 0.00 0.00 37.83 34.54 1x37 s LYS 27 CO 0.65 0.43 0.55 0.36 -0.92 0.00 0.00 175.35 176.42 1x37 n LYS 28 N -1.37 0.00 -0.99 1.68 2.85 -1.26 -4.18 118.16 114.90 1x37 n LYS 28 Ca -0.09 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.98 1x37 n LYS 28 Cb 0.57 -1.02 -0.13 0.00 -0.65 0.00 0.00 35.03 33.79 1x37 n LYS 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x37 n SER 29 N 1.94 -0.54 -3.01 -5.58 7.64 -1.26 -4.72 113.62 108.09 1x37 n SER 29 Ca 0.18 -0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1x37 n SER 29 Cb 0.24 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.95 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x37 n ASN 30 N 4.85 4.67 -3.60 6.43 4.05 -1.26 -4.12 115.26 126.28 1x37 n ASN 30 Ca 0.44 -3.68 -0.01 0.00 0.45 0.00 0.00 54.58 51.79 1x37 n ASN 30 Cb 0.07 -0.61 -0.04 0.00 1.23 0.00 0.00 39.78 40.43 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1x37 s LEU 31 N -3.50 -1.14 -0.42 1.20 2.96 -1.26 -4.36 118.68 112.17 1x37 s LEU 31 Ca 0.48 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 55.95 1x37 s LEU 31 Cb 0.27 2.26 0.25 0.00 0.50 0.00 0.00 46.19 49.47 1x37 s LEU 31 CO -0.13 -0.22 0.63 1.67 -1.32 0.00 0.00 176.35 176.98 1x37 n GLN 32 N 5.42 0.73 -2.51 1.98 -0.06 0.09 -4.81 117.38 118.23 1x37 n GLN 32 Ca -0.11 -2.76 -0.24 0.00 -2.00 0.00 0.00 57.00 51.89 1x37 n GLN 32 Cb 0.49 -1.29 0.11 0.00 -4.06 0.00 0.00 30.24 25.49 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 1x37 s LEU 33 N -1.03 2.97 0.36 1.69 2.34 -1.26 -1.65 118.68 122.09 1x37 s LEU 33 Ca 0.34 -0.23 0.09 0.00 0.06 0.00 0.00 54.13 54.39 1x37 s LEU 33 Cb 0.19 -2.15 -0.07 0.00 -0.56 0.00 0.00 46.19 43.60 1x37 s LEU 33 CO -0.15 -1.86 -0.06 -0.13 -1.06 0.00 0.00 176.35 173.08 1x37 s ARG 34 N -5.18 1.84 0.02 1.48 1.81 -1.21 -4.83 118.95 112.88 1x37 s ARG 34 Ca 0.66 -1.97 -0.22 0.00 -1.72 0.00 0.00 55.73 52.48 1x37 s ARG 34 Cb -0.06 -1.65 -0.16 0.00 -0.45 0.00 0.00 34.95 32.63 1x37 s ARG 34 CO 0.45 0.08 1.32 0.22 -0.68 0.00 0.00 175.30 176.69 1x37 h ASP 35 N 1.97 0.29 -1.02 0.23 1.82 -2.00 -3.03 116.42 114.68 1x37 h ASP 35 Ca -0.42 -0.48 0.30 0.00 -0.39 0.00 0.00 57.03 56.03 1x37 h ASP 35 Cb 1.25 -0.08 -0.14 0.00 0.68 0.00 0.00 39.33 41.04 1x37 h ASP 35 CO 0.73 0.71 0.60 -0.61 -1.61 0.00 0.00 179.24 179.06 1x37 h GLN 36 N -0.14 0.39 0.10 0.28 4.15 -1.96 -1.87 115.11 116.06 1x37 h GLN 36 Ca 0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1x37 h GLN 36 Cb 0.63 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1x37 h GLN 36 CO 0.03 0.26 -0.05 0.00 -1.93 0.00 0.00 178.83 177.13 1x37 h ALA 37 N 1.78 -0.88 -0.99 3.38 0.00 -1.82 0.27 119.26 121.00 1x37 h ALA 37 Ca 0.70 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.96 1x37 h ALA 37 Cb 1.57 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.24 1x37 h ALA 37 CO -0.53 -0.87 0.40 -0.89 0.00 0.00 0.00 179.25 177.36 1x37 n ILE 38 N -2.42 -0.41 -0.03 0.00 2.08 -0.89 0.13 119.36 117.82 1x37 n ILE 38 Ca -0.02 2.05 -0.17 0.00 0.56 0.00 0.00 62.75 65.17 1x37 n ILE 38 Cb 0.05 -3.23 -0.06 0.00 -0.75 0.00 0.00 39.64 35.65 1x37 n ILE 38 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x37 h LEU 39 N 0.00 0.94 0.55 1.39 3.38 -1.24 -3.06 115.31 117.28 1x37 h LEU 39 Ca 0.77 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1x37 h LEU 39 Cb 1.96 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1x37 h LEU 39 CO -0.80 1.41 -0.27 0.44 0.09 0.00 0.00 178.44 179.31 1x37 h ASP 40 N 0.55 -0.63 0.00 -0.43 3.32 0.48 0.05 116.42 119.76 1x37 h ASP 40 Ca -0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1x37 h ASP 40 Cb 1.38 0.16 0.00 0.00 0.22 0.00 0.00 39.33 41.10 1x37 h ASP 40 CO 0.16 -0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.29 1x37 n ILE 41 N -4.35 0.00 -0.34 0.35 3.06 -0.01 -0.23 119.36 117.84 1x37 n ILE 41 Ca -0.09 1.41 0.22 0.00 -2.50 0.00 0.00 62.75 61.79 1x37 n ILE 41 Cb 0.29 -1.99 0.44 0.00 0.54 0.00 0.00 39.64 38.93 1x37 n ILE 41 CO 0.00 0.00 0.00 -0.29 -2.50 0.00 0.00 176.55 173.76 1x37 h ILE 42 N 0.00 0.39 -0.88 9.51 2.10 -1.63 0.55 117.51 127.55 1x37 h ILE 42 Ca 0.00 -0.14 -0.01 0.00 1.08 0.00 0.00 64.86 65.79 1x37 h ILE 42 Cb 0.00 -0.07 -0.04 0.00 -1.09 0.00 0.00 36.82 35.62 1x37 h ILE 42 CO 0.00 0.08 0.53 -0.09 -1.08 0.00 0.00 178.15 177.59 1x37 h ARG 43 N 0.42 1.20 0.08 2.19 1.12 0.15 2.60 114.38 122.14 1x37 h ARG 43 Ca 0.70 -0.11 -0.29 0.00 -1.11 0.00 0.00 59.98 59.18 1x37 h ARG 43 Cb 1.51 -0.25 0.03 0.00 -0.01 0.00 0.00 29.97 31.25 1x37 h ARG 43 CO -0.55 0.84 -1.18 1.88 -3.11 0.00 0.00 179.97 177.85 1x37 h TYR 44 N 1.22 1.00 0.00 2.20 0.05 0.30 -3.38 116.97 118.35 1x37 h TYR 44 Ca 0.32 -0.60 -0.01 0.00 0.05 0.00 0.00 58.73 58.48 1x37 h TYR 44 Cb -0.05 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.60 1x37 h TYR 44 CO 0.01 1.44 -0.34 1.88 -1.05 0.00 0.00 178.16 180.10 1x37 h TYR 45 N 0.31 0.00 0.00 4.88 -1.99 -0.55 -3.36 116.97 116.25 1x37 h TYR 45 Ca -0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1x37 h TYR 45 Cb 1.84 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.57 1x37 h TYR 45 CO 0.11 0.14 0.00 2.41 -0.00 0.00 0.00 178.16 180.81 1x37 n THR 46 N -4.67 0.00 -3.27 -2.88 -1.04 0.87 -4.82 114.28 98.47 1x37 n THR 46 Ca -0.06 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 1x37 n THR 46 Cb 0.20 -0.32 -0.07 0.00 -1.82 0.00 0.00 70.33 68.33 1x37 n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x37 s ARG 47 N -0.63 4.22 0.00 -2.82 1.04 -1.26 -5.01 118.95 114.48 1x37 s ARG 47 Ca 0.00 0.40 0.00 0.00 -1.04 0.00 0.00 55.73 55.09 1x37 s ARG 47 Cb 0.00 -3.54 0.00 0.00 -2.04 0.00 0.00 34.95 29.37 1x37 s ARG 47 CO 0.00 -0.09 0.00 -0.85 -0.04 0.00 0.00 175.30 174.32 1x37 n GLU 48 N 4.56 0.00 -1.57 3.89 0.28 -1.26 -4.89 120.64 121.66 1x37 n GLU 48 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.89 1x37 n GLU 48 Cb 0.51 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.47 1x37 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x37 n ALA 49 N -0.24 3.75 0.00 -1.84 0.00 -1.26 -5.06 120.51 115.86 1x37 n ALA 49 Ca 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.20 1x37 n ALA 49 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1x37 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x37 n GLY 50 N -0.65 3.88 0.26 0.00 0.00 -1.26 -4.95 105.19 102.47 1x37 n GLY 50 Ca 0.24 -1.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 1x37 n GLY 50 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x37 h VAL 51 N 1.74 1.22 -0.98 1.61 -1.51 -1.99 -2.89 116.25 113.45 1x37 h VAL 51 Ca 0.00 -0.64 0.15 0.00 -1.23 0.00 0.00 66.70 64.98 1x37 h VAL 51 Cb 0.00 0.56 -0.16 0.00 -2.13 0.00 0.00 31.29 29.56 1x37 h VAL 51 CO 0.00 0.25 -0.38 0.54 -1.23 0.00 0.00 177.57 176.76 1x37 n ARG 52 N -4.51 -0.22 0.05 5.19 5.12 -1.26 0.35 116.66 121.37 1x37 n ARG 52 Ca 0.03 1.51 -0.12 0.00 -1.93 0.00 0.00 57.85 57.34 1x37 n ARG 52 Cb 0.14 -2.24 -0.07 0.00 -1.16 0.00 0.00 32.46 29.13 1x37 n ARG 52 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1x37 h SER 53 N 0.00 -0.03 -0.23 0.55 0.02 -1.88 -1.44 113.55 110.54 1x37 h SER 53 Ca 0.35 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1x37 h SER 53 Cb 0.59 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 1x37 h SER 53 CO -0.97 0.04 -0.45 0.25 -1.14 0.00 0.00 176.83 174.56 1x37 h LEU 54 N -0.09 -1.47 -1.07 5.07 6.46 0.07 0.69 115.31 124.97 1x37 h LEU 54 Ca -0.00 0.18 0.27 0.00 -0.12 0.00 0.00 57.88 58.21 1x37 h LEU 54 Cb 0.08 0.59 -0.13 0.00 -0.73 0.00 0.00 40.66 40.47 1x37 h LEU 54 CO 0.01 -0.36 0.61 -0.08 -0.62 0.00 0.00 178.44 178.00 1x37 h GLU 55 N -0.39 0.46 -0.86 1.25 4.22 -0.58 0.77 114.58 119.44 1x37 h GLU 55 Ca 0.04 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 1x37 h GLU 55 Cb 0.52 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1x37 h GLU 55 CO -0.43 0.31 0.43 -0.09 -2.18 0.00 0.00 179.01 177.05 1x37 h ARG 56 N 0.48 1.22 -0.14 1.92 1.12 0.14 0.98 114.38 120.10 1x37 h ARG 56 Ca 0.67 -0.17 -0.00 0.00 -1.11 0.00 0.00 59.98 59.36 1x37 h ARG 56 Cb 1.42 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 1x37 h ARG 56 CO -0.48 0.93 0.07 0.37 -3.11 0.00 0.00 179.97 177.74 1x37 h GLN 57 N 1.22 0.19 0.24 0.20 4.15 0.34 0.21 115.11 121.66 1x37 h GLN 57 Ca 0.30 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1x37 h GLN 57 Cb 0.09 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1x37 h GLN 57 CO -0.04 0.24 -0.11 -0.07 -1.93 0.00 0.00 178.83 176.91 1x37 h LEU 58 N 0.10 -0.27 -1.11 -2.39 3.38 -0.93 -1.61 115.31 112.49 1x37 h LEU 58 Ca 0.05 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1x37 h LEU 58 Cb 0.10 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1x37 h LEU 58 CO -0.01 -0.18 0.61 0.00 0.09 0.00 0.00 178.44 178.95 1x37 h ALA 59 N 0.44 1.64 0.21 1.53 0.00 -0.65 0.96 119.26 123.39 1x37 h ALA 59 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x37 h ALA 59 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1x37 h ALA 59 CO 0.05 0.10 -0.27 0.00 0.00 0.00 0.00 179.25 179.14 1x37 h ALA 60 N 1.57 -0.52 -0.42 0.00 0.00 0.34 0.18 119.26 120.41 1x37 h ALA 60 Ca 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1x37 h ALA 60 Cb 0.60 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1x37 h ALA 60 CO -0.25 -0.83 0.15 0.97 0.00 0.00 0.00 179.25 179.28 1x37 h ILE 61 N -0.54 1.21 0.00 0.00 2.10 -0.56 0.20 117.51 119.92 1x37 h ILE 61 Ca 0.01 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1x37 h ILE 61 Cb 0.52 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1x37 h ILE 61 CO -0.10 0.24 0.00 0.00 -1.08 0.00 0.00 178.15 177.21 1x37 h ARG 63 N 0.00 0.18 -1.08 0.00 -0.00 -1.03 0.14 114.38 112.59 1x37 h ARG 63 Ca 0.00 -0.01 0.43 0.00 -0.00 0.00 0.00 59.98 60.40 1x37 h ARG 63 Cb 0.00 -0.04 -0.17 0.00 -0.00 0.00 0.00 29.97 29.76 1x37 h ARG 63 CO 0.00 0.12 0.61 1.17 -0.00 0.00 0.00 179.97 181.87 1x37 n LYS 64 N -5.09 -0.05 -0.00 0.08 3.00 0.70 0.42 118.16 117.21 1x37 n LYS 64 Ca 0.01 1.35 -0.16 0.00 -0.00 0.00 0.00 58.31 59.51 1x37 n LYS 64 Cb 0.14 -2.47 -0.05 0.00 0.00 0.00 0.00 35.03 32.65 1x37 n LYS 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x37 h ALA 65 N 1.91 0.36 -0.86 3.14 0.00 0.57 -3.14 119.26 121.24 1x37 h ALA 65 Ca 0.85 -0.61 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1x37 h ALA 65 Cb 2.37 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 20.07 1x37 h ALA 65 CO -0.70 0.70 0.52 0.00 0.00 0.00 0.00 179.25 179.76 1x37 h ALA 66 N 0.63 1.22 -1.00 0.00 0.00 0.97 -0.27 119.26 120.81 1x37 h ALA 66 Ca -0.05 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1x37 h ALA 66 Cb 1.40 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1x37 h ALA 66 CO 0.16 0.19 0.62 0.87 0.00 0.00 0.00 179.25 181.08 1x37 h LYS 67 N 0.89 0.85 0.00 0.00 1.57 -0.81 0.52 116.57 119.58 1x37 h LYS 67 Ca 0.40 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1x37 h LYS 67 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1x37 h LYS 67 CO -0.22 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1x37 n ALA 68 N -2.34 1.28 0.00 3.86 0.00 -0.11 -3.15 120.51 120.05 1x37 n ALA 68 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1x37 n ALA 68 Cb 0.47 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1x37 n ALA 68 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1x37 n ILE 69 N -0.88 0.51 -0.15 0.00 3.06 0.18 -0.15 119.36 121.93 1x37 n ILE 69 Ca 0.00 0.49 -0.12 0.00 -2.50 0.00 0.00 62.75 60.63 1x37 n ILE 69 Cb 0.00 -1.49 0.08 0.00 0.54 0.00 0.00 39.64 38.76 1x37 n ILE 69 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 1x37 n VAL 70 N -1.12 2.12 -1.00 9.51 0.31 -1.19 -4.90 118.33 122.06 1x37 n VAL 70 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 64.34 63.34 1x37 n VAL 70 Cb 0.37 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1x37 n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x37 n ALA 71 N -0.17 0.00 0.06 3.52 0.00 0.79 -5.01 120.51 119.70 1x37 n ALA 71 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.69 1x37 n ALA 71 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.42 1x37 n ALA 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x37 h GLU 72 N 0.00 -0.16 0.00 0.00 3.07 -1.90 -3.45 114.58 112.14 1x37 h GLU 72 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1x37 h GLU 72 Cb 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1x37 h GLU 72 CO 0.00 -0.11 0.00 -0.85 -1.40 0.00 0.00 179.01 176.65 1x37 n GLU 73 N -2.53 0.00 -1.76 2.33 -0.00 -1.26 -5.09 120.64 112.34 1x37 n GLU 73 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.72 1x37 n GLU 73 Cb 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.48 1x37 n GLU 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1x37 s ARG 74 N 0.00 3.01 0.77 3.44 3.52 -1.26 -4.95 118.95 123.48 1x37 s ARG 74 Ca 0.00 1.65 -0.12 0.00 -0.13 0.00 0.00 55.73 57.14 1x37 s ARG 74 Cb 0.00 -4.35 0.06 0.00 -1.56 0.00 0.00 34.95 29.10 1x37 s ARG 74 CO 0.00 -2.24 1.13 0.21 -0.81 0.00 0.00 175.30 173.60 1x37 s LYS 75 N 6.45 2.28 -0.06 5.12 2.20 -1.26 -4.72 119.74 129.75 1x37 s LYS 75 Ca 0.91 0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 56.80 1x37 s LYS 75 Cb -0.26 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.11 1x37 s LYS 75 CO 0.32 -1.42 0.09 0.54 -0.36 0.00 0.00 175.35 174.53 1x37 n ARG 76 N -3.24 -4.06 -2.72 4.03 1.74 -1.26 -4.82 116.66 106.32 1x37 n ARG 76 Ca 0.07 3.01 -0.43 0.00 -0.77 0.00 0.00 57.85 59.74 1x37 n ARG 76 Cb 0.59 -4.02 -0.03 0.00 -1.02 0.00 0.00 32.46 27.98 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x37 s ILE 77 N -0.50 4.64 -0.19 0.55 1.01 -1.26 -4.84 121.20 120.61 1x37 s ILE 77 Ca -0.11 1.71 -0.22 0.00 0.00 0.00 0.00 60.65 62.03 1x37 s ILE 77 Cb 0.01 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 1x37 s ILE 77 CO 0.29 -0.31 0.70 -0.89 0.00 0.00 0.00 174.94 174.73 1x37 s THR 78 N 3.32 4.97 -0.79 2.92 2.01 -1.26 -0.73 115.64 126.07 1x37 s THR 78 Ca 0.42 1.34 0.02 0.00 0.31 0.00 0.00 61.69 63.78 1x37 s THR 78 Cb -0.14 -4.01 0.30 0.00 0.01 0.00 0.00 72.50 68.66 1x37 s THR 78 CO 0.11 0.08 1.16 0.52 -0.69 0.00 0.00 174.62 175.80 1x37 n VAL 79 N 4.73 3.91 -0.28 3.82 0.31 -0.66 -4.83 118.33 125.34 1x37 n VAL 79 Ca 0.01 -5.62 0.00 0.00 -0.01 0.00 0.00 64.34 58.71 1x37 n VAL 79 Cb 0.49 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1x37 n VAL 79 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x37 n THR 80 N 0.50 0.00 0.21 2.52 -2.24 -1.26 -3.34 114.28 110.67 1x37 n THR 80 Ca 0.32 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1x37 n THR 80 Cb 0.36 -0.62 0.42 0.00 -2.10 0.00 0.00 70.33 68.39 1x37 n THR 80 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x37 h GLU 81 N 0.00 0.00 0.04 -0.78 -0.00 -1.94 -2.38 114.58 109.51 1x37 h GLU 81 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1x37 h GLU 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1x37 h GLU 81 CO 0.00 0.27 -0.02 0.87 -0.00 0.00 0.00 179.01 180.14 1x37 h LYS 82 N 0.00 -0.05 -1.03 1.06 1.57 -1.99 -3.31 116.57 112.82 1x37 h LYS 82 Ca -0.00 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.09 1x37 h LYS 82 Cb 0.78 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.97 1x37 h LYS 82 CO 0.04 -0.03 0.61 -0.97 -0.57 0.00 0.00 179.45 178.52 1x37 h ASN 83 N -0.60 0.53 -1.00 0.86 -0.73 -1.88 0.33 115.58 113.09 1x37 h ASN 83 Ca -0.01 0.16 0.38 0.00 1.87 0.00 0.00 56.30 58.71 1x37 h ASN 83 Cb 0.04 0.10 -0.18 0.00 0.27 0.00 0.00 38.32 38.55 1x37 h ASN 83 CO 0.01 -0.06 0.45 0.25 -0.37 0.00 0.00 177.43 177.71 1x37 h LEU 84 N 0.38 0.20 0.03 0.34 6.46 -1.51 0.49 115.31 121.70 1x37 h LEU 84 Ca 0.71 0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 58.72 1x37 h LEU 84 Cb 1.61 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 41.84 1x37 h LEU 84 CO -0.53 -0.40 -0.02 -0.61 -0.62 0.00 0.00 178.44 176.27 1x37 h GLN 85 N 0.03 -0.04 -0.85 1.25 4.15 -0.47 -0.74 115.11 118.44 1x37 h GLN 85 Ca 0.79 0.00 0.18 0.00 0.77 0.00 0.00 58.65 60.39 1x37 h GLN 85 Cb 2.01 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 29.61 1x37 h GLN 85 CO -0.78 0.46 0.38 -0.44 -1.93 0.00 0.00 178.83 176.52 1x37 h ASP 86 N -0.57 0.38 0.41 -0.69 5.19 -0.12 2.70 116.42 123.72 1x37 h ASP 86 Ca -0.00 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1x37 h ASP 86 Cb 0.52 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1x37 h ASP 86 CO 0.01 0.10 -0.20 -0.26 -3.12 0.00 0.00 179.24 175.77 1x37 h PHE 87 N 0.48 -0.51 0.19 4.55 0.04 -1.00 -3.33 116.94 117.36 1x37 h PHE 87 Ca 0.49 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.24 1x37 h PHE 87 Cb 0.81 0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1x37 h PHE 87 CO -0.13 -0.32 -0.09 0.82 -0.60 0.00 0.00 178.31 177.99 1x37 h ILE 88 N -0.99 0.82 -4.46 -0.55 2.04 -0.74 -3.49 117.51 110.14 1x37 h ILE 88 Ca -0.06 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1x37 h ILE 88 Cb 0.43 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1x37 h ILE 88 CO 0.09 0.01 -0.93 0.61 0.00 0.00 0.00 178.15 177.93 1x37 n GLY 89 N -1.15 -5.60 0.00 5.37 0.00 0.90 -4.95 105.19 99.77 1x37 n GLY 89 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x37 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x37 n LYS 90 N 1.76 0.00 -0.93 1.61 4.81 -1.26 -5.08 118.16 119.08 1x37 n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x37 n LYS 90 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x37 n LYS 90 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x37 n ARG 91 N -1.79 0.00 0.03 1.64 1.74 -1.26 -5.09 116.66 111.94 1x37 n ARG 91 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1x37 n ARG 91 Cb 0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1x37 n ARG 91 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1x37 n ILE 92 N 0.00 1.11 -2.88 0.55 5.41 -1.26 -4.97 119.36 117.31 1x37 n ILE 92 Ca 0.00 0.34 -0.42 0.00 1.00 0.00 0.00 62.75 63.67 1x37 n ILE 92 Cb 0.00 -1.60 -0.04 0.00 -0.71 0.00 0.00 39.64 37.29 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x37 s PHE 93 N -1.97 3.25 -0.79 1.39 0.08 -1.26 -4.99 117.98 113.69 1x37 s PHE 93 Ca -0.03 1.01 -0.18 0.00 0.12 0.00 0.00 56.93 57.85 1x37 s PHE 93 Cb 0.00 -3.20 0.13 0.00 -0.57 0.00 0.00 43.02 39.38 1x37 s PHE 93 CO 0.04 -0.51 0.93 1.03 -0.10 0.00 0.00 175.22 176.61 1x37 s ARG 94 N 2.99 3.39 0.00 0.44 0.52 -1.26 -5.03 118.95 120.01 1x37 s ARG 94 Ca 0.35 -1.64 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 1x37 s ARG 94 Cb -0.14 -4.57 0.00 0.00 0.52 0.00 0.00 34.95 30.75 1x37 s ARG 94 CO 0.10 -1.64 0.00 0.66 0.02 0.00 0.00 175.30 174.45