#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 0.00 -3.76 1.61 2.88 -1.26 -5.08 113.62 108.01 1x57 n SER 2 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1x57 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1x57 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x57 n SER 3 N -1.28 0.55 -4.72 -3.46 7.64 -1.26 -4.87 113.62 106.21 1x57 n SER 3 Ca 0.00 -0.89 -0.35 0.00 1.01 0.00 0.00 58.87 58.64 1x57 n SER 3 Cb 0.00 -1.11 0.09 0.00 -1.01 0.00 0.00 64.21 62.18 1x57 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x57 s GLY 4 N -3.88 2.52 -0.48 0.23 0.00 -1.26 -5.01 107.32 99.45 1x57 s GLY 4 Ca 0.04 1.01 0.05 0.00 0.00 0.00 0.00 44.72 45.82 1x57 s GLY 4 CO 0.70 1.43 0.87 -1.14 0.00 0.00 0.00 173.10 174.97 1x57 n SER 5 N -2.50 -2.87 -3.92 1.64 3.41 -1.26 -5.15 113.62 102.96 1x57 n SER 5 Ca 0.14 -2.82 -0.10 0.00 -0.26 0.00 0.00 58.87 55.84 1x57 n SER 5 Cb 0.49 1.61 -0.09 0.00 -0.26 0.00 0.00 64.21 65.96 1x57 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x57 s SER 6 N -0.31 0.16 0.00 4.04 0.01 -1.26 -5.14 113.70 111.20 1x57 s SER 6 Ca 0.30 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1x57 s SER 6 Cb 0.13 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1x57 s SER 6 CO -0.14 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1x57 n GLY 7 N 0.86 1.84 2.59 3.44 0.00 -1.26 -5.02 105.19 107.64 1x57 n GLY 7 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1x57 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x57 s ASP 8 N -1.00 3.56 0.00 1.61 -4.77 -1.26 -4.96 116.67 109.86 1x57 s ASP 8 Ca 0.00 -1.63 0.00 0.00 -3.30 0.00 0.00 52.55 47.62 1x57 s ASP 8 Cb 0.00 -0.53 0.00 0.00 -1.09 0.00 0.00 42.92 41.30 1x57 s ASP 8 CO 0.00 -0.40 0.44 0.54 0.70 0.00 0.00 175.17 176.45 1x57 n ARG 9 N 4.81 0.38 -1.88 2.11 5.12 -1.26 -5.09 116.66 120.86 1x57 n ARG 9 Ca -0.01 -0.52 -0.36 0.00 -1.93 0.00 0.00 57.85 55.03 1x57 n ARG 9 Cb 0.41 -0.64 0.05 0.00 -1.16 0.00 0.00 32.46 31.12 1x57 n ARG 9 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1x57 s VAL 10 N -0.16 2.32 0.46 1.55 0.11 -1.26 -5.01 120.40 118.41 1x57 s VAL 10 Ca 0.00 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1x57 s VAL 10 Cb 0.00 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.76 1x57 s VAL 10 CO 0.00 -0.04 0.11 0.42 -3.33 0.00 0.00 175.10 172.26 1x57 s THR 11 N -1.49 0.63 0.17 5.04 -4.23 -1.26 -5.01 115.64 109.48 1x57 s THR 11 Ca 0.80 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1x57 s THR 11 Cb -0.34 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1x57 s THR 11 CO 0.37 0.00 0.00 0.18 -0.54 0.00 0.00 174.62 174.63 1x57 n LEU 12 N -1.07 0.00 -0.12 4.79 4.32 -1.26 -2.11 117.00 121.56 1x57 n LEU 12 Ca -0.11 0.77 -0.23 0.00 -0.02 0.00 0.00 56.01 56.42 1x57 n LEU 12 Cb 0.65 -2.16 -0.11 0.00 -1.62 0.00 0.00 43.42 40.17 1x57 n LEU 12 CO 0.35 -1.71 -1.25 -1.84 -1.22 0.00 0.00 177.39 171.72 1x57 n GLU 13 N -2.72 0.63 0.39 3.23 0.28 -1.26 -4.17 120.64 117.03 1x57 n GLU 13 Ca 0.00 0.25 -0.18 0.00 -0.16 0.00 0.00 57.16 57.07 1x57 n GLU 13 Cb 0.33 -1.55 -0.09 0.00 1.43 0.00 0.00 31.44 31.55 1x57 n GLU 13 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1x57 h VAL 14 N -0.48 0.27 -0.94 3.84 2.07 -1.93 0.31 116.25 119.39 1x57 h VAL 14 Ca -0.59 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.00 1x57 h VAL 14 Cb 1.75 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1x57 h VAL 14 CO -0.21 0.01 0.57 1.23 0.02 0.00 0.00 177.57 179.18 1x57 h GLY 15 N -1.02 1.55 0.70 2.17 0.00 -1.74 0.75 103.07 105.49 1x57 h GLY 15 Ca -0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1x57 h GLY 15 CO 0.16 0.09 -0.44 1.70 0.00 0.00 0.00 176.54 178.06 1x57 h LYS 16 N 0.87 -1.03 -0.31 4.80 1.63 -1.19 -0.78 116.57 120.55 1x57 h LYS 16 Ca 0.48 0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.40 1x57 h LYS 16 Cb 0.54 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 1x57 h LYS 16 CO -0.29 -0.69 0.21 0.28 -3.45 0.00 0.00 179.45 175.51 1x57 h VAL 17 N -1.07 0.97 0.72 2.00 2.07 -0.26 0.89 116.25 121.57 1x57 h VAL 17 Ca -0.09 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1x57 h VAL 17 Cb 0.86 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1x57 h VAL 17 CO 0.09 0.04 -0.34 0.40 0.02 0.00 0.00 177.57 177.78 1x57 h ILE 18 N 0.23 0.10 -0.29 4.57 2.04 -0.72 0.11 117.51 123.55 1x57 h ILE 18 Ca 0.13 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1x57 h ILE 18 Cb 0.24 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 1x57 h ILE 18 CO -0.03 0.01 -0.07 -0.61 0.00 0.00 0.00 178.15 177.45 1x57 h GLN 19 N -1.20 -0.00 0.19 2.37 4.15 -0.44 0.11 115.11 120.29 1x57 h GLN 19 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1x57 h GLN 19 Cb 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1x57 h GLN 19 CO 0.16 -0.00 -0.09 0.37 -1.93 0.00 0.00 178.83 177.34 1x57 h GLN 20 N -0.00 -0.25 -0.32 1.69 -0.00 -0.89 -1.30 115.11 114.04 1x57 h GLN 20 Ca 0.14 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.77 1x57 h GLN 20 Cb 0.21 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1x57 h GLN 20 CO -0.30 -0.06 0.04 0.78 0.00 0.00 0.00 178.83 179.30 1x57 h GLY 21 N -0.40 0.50 0.98 2.39 0.00 -0.58 0.20 103.07 106.16 1x57 h GLY 21 Ca -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1x57 h GLY 21 CO 0.04 0.25 -0.40 3.21 0.00 0.00 0.00 176.54 179.65 1x57 h ARG 22 N 0.46 -1.06 0.00 4.80 3.08 -0.83 -3.15 114.38 117.68 1x57 h ARG 22 Ca 0.11 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1x57 h ARG 22 Cb 0.24 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1x57 h ARG 22 CO 0.00 -0.70 0.00 1.96 -1.07 0.00 0.00 179.97 180.16 1x57 h GLN 23 N -1.10 0.00 0.00 0.04 1.08 -0.48 0.04 115.11 114.70 1x57 h GLN 23 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1x57 h GLN 23 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1x57 h GLN 23 CO 0.17 0.00 0.00 0.43 -0.95 0.00 0.00 178.83 178.48 1x57 n SER 24 N -2.72 0.20 -0.68 1.46 7.64 0.63 -3.74 113.62 116.41 1x57 n SER 24 Ca -0.01 0.54 0.03 0.00 1.01 0.00 0.00 58.87 60.44 1x57 n SER 24 Cb 0.15 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.80 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -1.71 0.30 -1.24 1.43 5.02 -0.13 -5.00 118.16 116.83 1x57 n LYS 25 Ca 0.04 -1.63 -0.08 0.00 -2.02 0.00 0.00 58.31 54.61 1x57 n LYS 25 Cb 0.23 -0.61 -0.04 0.00 -0.02 0.00 0.00 35.03 34.59 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.17 0.81 3.69 0.72 0.00 -1.04 -4.91 105.19 104.29 1x57 n GLY 26 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N -1.88 4.30 1.09 0.99 1.43 -0.44 -4.96 118.68 119.21 1x57 s LEU 27 Ca 0.00 1.96 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 1x57 s LEU 27 Cb 0.00 -3.56 0.24 0.00 0.03 0.00 0.00 46.19 42.90 1x57 s LEU 27 CO 0.00 -0.65 1.07 0.42 0.23 0.00 0.00 176.35 177.42 1x57 s THR 28 N 2.29 1.97 0.40 5.49 -4.23 -1.26 -4.45 115.64 115.85 1x57 s THR 28 Ca 0.60 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.20 1x57 s THR 28 Cb -0.28 -2.33 0.19 0.00 1.34 0.00 0.00 72.50 71.41 1x57 s THR 28 CO 0.24 0.00 1.96 1.56 -0.54 0.00 0.00 174.62 177.85 1x57 h GLN 29 N -2.25 0.29 -0.15 3.99 4.20 -1.96 -2.54 115.11 116.69 1x57 h GLN 29 Ca -0.57 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 57.91 1x57 h GLN 29 Cb 1.34 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 1x57 h GLN 29 CO 0.54 0.35 -0.63 0.87 -0.67 0.00 0.00 178.83 179.29 1x57 h LYS 30 N 0.28 0.54 -0.96 1.46 6.56 -1.92 -0.75 116.57 121.79 1x57 h LYS 30 Ca 0.06 -0.38 0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1x57 h LYS 30 Cb 0.25 0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.92 1x57 h LYS 30 CO 0.01 1.00 0.63 -0.44 -2.06 0.00 0.00 179.45 178.59 1x57 h ASP 31 N 0.40 1.09 -0.16 0.86 3.32 -1.85 -0.61 116.42 119.47 1x57 h ASP 31 Ca -0.01 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1x57 h ASP 31 Cb 1.19 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1x57 h ASP 31 CO 0.12 0.79 0.01 0.25 -1.72 0.00 0.00 179.24 178.69 1x57 h LEU 32 N 1.29 0.27 -0.53 1.55 7.12 -1.26 -1.22 115.31 122.52 1x57 h LEU 32 Ca 0.35 -0.29 0.10 0.00 0.13 0.00 0.00 57.88 58.17 1x57 h LEU 32 Cb -0.14 -0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 39.84 1x57 h LEU 32 CO -0.08 0.49 0.09 0.00 -0.13 0.00 0.00 178.44 178.82 1x57 h ALA 33 N 0.79 0.60 -0.14 1.25 0.00 -0.64 -0.76 119.26 120.35 1x57 h ALA 33 Ca 0.05 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1x57 h ALA 33 Cb 0.35 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1x57 h ALA 33 CO 0.01 -0.32 0.05 1.15 0.00 0.00 0.00 179.25 180.13 1x57 h THR 34 N 0.22 0.97 -0.05 0.00 2.02 -1.08 0.96 112.91 115.95 1x57 h THR 34 Ca 0.27 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.43 1x57 h THR 34 Cb 0.39 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1x57 h THR 34 CO -0.37 0.02 0.12 0.11 0.37 0.00 0.00 175.52 175.77 1x57 h LYS 35 N 0.11 0.00 -0.14 6.66 1.57 0.10 -0.19 116.57 124.68 1x57 h LYS 35 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x57 h LYS 35 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1x57 h LYS 35 CO -0.06 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.26 1x57 n ILE 36 N -3.39 0.81 -3.49 1.86 -5.35 -0.68 -4.81 119.36 104.31 1x57 n ILE 36 Ca -0.01 -0.91 -0.24 0.00 -0.27 0.00 0.00 62.75 61.32 1x57 n ILE 36 Cb 0.20 0.61 0.01 0.00 -1.74 0.00 0.00 39.64 38.72 1x57 n ILE 36 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x57 n ASN 37 N 0.07 -4.12 -3.15 7.28 5.15 0.20 -5.02 115.26 115.66 1x57 n ASN 37 Ca 0.05 -0.68 -0.18 0.00 -0.60 0.00 0.00 54.58 53.17 1x57 n ASN 37 Cb 0.30 -1.33 -0.06 0.00 -0.53 0.00 0.00 39.78 38.16 1x57 n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1x57 n GLU 38 N -1.84 0.50 -2.19 1.20 0.00 -0.40 -5.01 120.64 112.91 1x57 n GLU 38 Ca -0.23 -3.16 -0.39 0.00 0.00 0.00 0.00 57.16 53.38 1x57 n GLU 38 Cb 0.58 2.72 -0.01 0.00 0.00 0.00 0.00 31.44 34.73 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1x57 s LYS 39 N -3.17 4.01 0.02 5.31 -0.14 -1.26 -4.47 119.74 120.03 1x57 s LYS 39 Ca 0.36 1.97 0.15 0.00 -1.36 0.00 0.00 55.97 57.09 1x57 s LYS 39 Cb 0.01 -2.71 0.63 0.00 -1.68 0.00 0.00 37.83 34.08 1x57 s LYS 39 CO 0.26 -0.39 1.47 -0.35 -0.76 0.00 0.00 175.35 175.57 1x57 n PRO 40 N 0.09 0.01 -0.26 -1.68 -0.04 -1.26 -2.17 135.00 129.69 1x57 n PRO 40 Ca 0.04 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1x57 n PRO 40 Cb 0.45 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1x57 n PRO 40 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1x57 h GLN 41 N 0.00 1.00 0.00 0.54 5.75 -1.94 -2.81 115.11 117.64 1x57 h GLN 41 Ca 0.00 -0.11 -0.13 0.00 -0.15 0.00 0.00 58.65 58.27 1x57 h GLN 41 Cb 0.25 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1x57 h GLN 41 CO 0.00 0.73 -0.60 -0.39 -2.65 0.00 0.00 178.83 175.92 1x57 h VAL 42 N 0.99 1.16 -0.21 2.39 -1.51 -1.83 -2.82 116.25 114.42 1x57 h VAL 42 Ca 0.26 -2.27 -0.01 0.00 -1.23 0.00 0.00 66.70 63.45 1x57 h VAL 42 Cb 0.01 2.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1x57 h VAL 42 CO -0.04 0.58 0.09 0.40 -1.23 0.00 0.00 177.57 177.37 1x57 h ILE 43 N 0.00 1.16 -0.83 7.19 1.08 -1.62 0.17 117.51 124.66 1x57 h ILE 43 Ca -0.01 -0.47 0.10 0.00 -0.39 0.00 0.00 64.86 64.10 1x57 h ILE 43 Cb 1.28 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 36.03 1x57 h ILE 43 CO 0.08 0.15 0.47 0.00 -0.69 0.00 0.00 178.15 178.16 1x57 h ALA 44 N 0.94 1.20 0.05 1.87 0.00 -1.45 -1.06 119.26 120.80 1x57 h ALA 44 Ca 0.07 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1x57 h ALA 44 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1x57 h ALA 44 CO -0.01 0.07 -1.05 -0.44 0.00 0.00 0.00 179.25 177.82 1x57 h ASP 45 N 0.77 0.26 -0.66 0.00 5.19 -1.18 -2.50 116.42 118.29 1x57 h ASP 45 Ca 0.41 -0.25 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1x57 h ASP 45 Cb 0.41 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 1x57 h ASP 45 CO -0.27 1.14 0.41 1.88 -3.12 0.00 0.00 179.24 179.28 1x57 h TYR 46 N 0.07 0.77 -0.81 4.55 0.05 -0.37 0.27 116.97 121.50 1x57 h TYR 46 Ca -0.07 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1x57 h TYR 46 Cb 1.75 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 39.20 1x57 h TYR 46 CO 0.03 0.44 0.38 0.93 -1.05 0.00 0.00 178.16 178.90 1x57 h GLU 47 N 0.81 1.17 0.00 4.88 5.08 -0.95 -2.66 114.58 122.90 1x57 h GLU 47 Ca 0.26 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1x57 h GLU 47 Cb 0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1x57 h GLU 47 CO -0.10 0.90 -0.74 0.77 -1.00 0.00 0.00 179.01 178.85 1x57 h SER 48 N 1.15 0.00 0.00 1.42 0.02 -1.36 -3.37 113.55 111.41 1x57 h SER 48 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1x57 h SER 48 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x57 h SER 48 CO -0.03 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1x57 n GLY 49 N 1.27 0.89 0.31 -3.77 0.00 0.10 -4.76 105.19 99.23 1x57 n GLY 49 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 2.60 -0.70 -6.99 1.61 2.47 -0.84 -3.45 114.38 109.08 1x57 h ARG 50 Ca 0.00 0.05 -0.55 0.00 -1.26 0.00 0.00 59.98 58.22 1x57 h ARG 50 Cb 0.00 0.16 0.12 0.00 -1.65 0.00 0.00 29.97 28.60 1x57 h ARG 50 CO 0.00 -0.41 0.71 0.00 0.56 0.00 0.00 179.97 180.84 1x57 s ALA 51 N -4.73 3.25 0.06 0.04 0.00 -1.11 -4.93 121.76 114.34 1x57 s ALA 51 Ca -0.13 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1x57 s ALA 51 Cb 0.02 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 1x57 s ALA 51 CO 0.43 -1.23 1.47 0.42 0.00 0.00 0.00 175.76 176.85 1x57 s ILE 52 N -1.19 3.37 -0.18 0.00 1.01 -1.26 -4.76 121.20 118.18 1x57 s ILE 52 Ca 0.61 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 1x57 s ILE 52 Cb -0.44 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1x57 s ILE 52 CO 0.57 0.02 1.56 -2.16 0.00 0.00 0.00 174.94 174.93 1x57 s PRO 53 N 2.00 3.96 -0.15 2.79 0.04 -1.26 -5.00 135.00 137.37 1x57 s PRO 53 Ca 0.67 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1x57 s PRO 53 Cb -0.36 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.20 1x57 s PRO 53 CO 0.29 -1.09 -0.13 1.21 0.04 0.00 0.00 177.00 177.32 1x57 s ASN 54 N 3.62 3.91 0.38 6.66 3.84 -1.26 -5.03 114.94 127.07 1x57 s ASN 54 Ca 0.69 -0.39 0.20 0.00 0.21 0.00 0.00 52.86 53.56 1x57 s ASN 54 Cb -0.26 -1.61 1.19 0.00 -0.55 0.00 0.00 41.25 40.02 1x57 s ASN 54 CO 0.27 0.11 1.67 -0.55 -2.79 0.00 0.00 177.10 175.80 1x57 h ASN 55 N 7.14 0.42 -0.44 -4.21 7.08 -1.97 0.13 115.58 123.74 1x57 h ASN 55 Ca -0.31 0.16 0.05 0.00 -3.08 0.00 0.00 56.30 53.12 1x57 h ASN 55 Cb 1.20 0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 37.52 1x57 h ASN 55 CO 0.57 -0.11 0.30 1.56 -2.08 0.00 0.00 177.43 177.66 1x57 h GLN 56 N 0.26 0.38 0.02 4.14 4.20 -2.00 -1.42 115.11 120.70 1x57 h GLN 56 Ca 0.74 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 59.08 1x57 h GLN 56 Cb 1.91 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.56 1x57 h GLN 56 CO -0.50 0.25 -1.94 0.28 -0.67 0.00 0.00 178.83 176.26 1x57 n VAL 57 N -4.48 1.58 -0.21 -0.54 0.31 0.15 -4.31 118.33 110.83 1x57 n VAL 57 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1x57 n VAL 57 Cb 0.22 -1.86 0.08 0.00 -0.91 0.00 0.00 33.84 31.37 1x57 n VAL 57 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x57 h LEU 58 N -0.67 -0.48 -1.85 7.52 3.38 -0.71 0.15 115.31 122.65 1x57 h LEU 58 Ca -0.50 0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1x57 h LEU 58 Cb 1.61 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1x57 h LEU 58 CO -0.20 -0.18 0.11 1.23 0.09 0.00 0.00 178.44 179.49 1x57 h GLY 59 N 0.04 0.21 0.88 0.83 0.00 -1.50 0.08 103.07 103.62 1x57 h GLY 59 Ca 0.31 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.41 1x57 h GLY 59 CO -0.61 0.07 -0.58 0.50 0.00 0.00 0.00 176.54 175.92 1x57 h LYS 60 N 0.20 0.51 -0.71 4.80 1.57 -1.00 -3.10 116.57 118.84 1x57 h LYS 60 Ca 0.06 -0.46 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1x57 h LYS 60 Cb 0.02 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1x57 h LYS 60 CO -0.01 1.09 0.47 0.82 -0.57 0.00 0.00 179.45 181.25 1x57 h ILE 61 N 0.09 1.13 -0.41 1.86 2.04 -0.07 0.74 117.51 122.88 1x57 h ILE 61 Ca -0.05 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1x57 h ILE 61 Cb 1.24 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1x57 h ILE 61 CO 0.12 0.16 0.25 -0.33 0.00 0.00 0.00 178.15 178.35 1x57 h GLU 62 N 0.89 0.49 0.00 2.37 5.08 -0.98 -0.78 114.58 121.65 1x57 h GLU 62 Ca 0.28 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1x57 h GLU 62 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1x57 h GLU 62 CO -0.07 0.32 -0.13 0.00 -1.00 0.00 0.00 179.01 178.13 1x57 h ARG 63 N 0.50 0.00 -0.36 2.33 3.08 -1.24 0.27 114.38 118.96 1x57 h ARG 63 Ca 0.16 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 1x57 h ARG 63 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1x57 h ARG 63 CO -0.07 0.13 -0.25 0.00 -1.07 0.00 0.00 179.97 178.71 1x57 h ALA 64 N 1.87 0.89 0.00 0.04 0.00 0.61 -3.36 119.26 119.32 1x57 h ALA 64 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1x57 h ALA 64 Cb 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x57 h ALA 64 CO 0.02 0.63 -1.04 0.44 0.00 0.00 0.00 179.25 179.29 1x57 n ILE 65 N -4.10 0.00 -1.97 0.00 -5.35 -0.99 -5.00 119.36 101.95 1x57 n ILE 65 Ca -0.00 -0.02 -0.01 0.00 -0.27 0.00 0.00 62.75 62.44 1x57 n ILE 65 Cb 0.44 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 2.47 0.32 3.46 3.28 0.00 0.93 -4.99 105.19 110.67 1x57 n GLY 66 Ca -0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -0.41 2.50 0.35 0.99 1.43 -1.21 -1.73 118.68 120.59 1x57 s LEU 67 Ca 0.00 -1.24 -0.26 0.00 -1.03 0.00 0.00 54.13 51.60 1x57 s LEU 67 Cb 0.00 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 1x57 s LEU 67 CO 0.00 -0.38 1.08 -0.54 0.23 0.00 0.00 176.35 176.74 1x57 s LYS 68 N -3.74 4.36 0.00 1.70 1.02 0.96 -4.34 119.74 119.70 1x57 s LYS 68 Ca 0.31 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.96 1x57 s LYS 68 Cb 0.05 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 1x57 s LYS 68 CO 0.14 0.00 0.95 1.28 -0.92 0.00 0.00 175.35 176.80 1x57 n LEU 69 N 0.49 1.85 -4.17 3.17 7.99 -1.26 -1.79 117.00 123.27 1x57 n LEU 69 Ca 0.02 -1.85 -0.11 0.00 -0.01 0.00 0.00 56.01 54.07 1x57 n LEU 69 Cb 0.47 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.68 1x57 n LEU 69 CO 0.49 0.46 -0.33 -0.13 -1.51 0.00 0.00 177.39 176.37 1x57 s ARG 70 N -0.91 0.91 0.02 3.23 0.52 -1.26 -4.96 118.95 116.50 1x57 s ARG 70 Ca 0.00 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1x57 s ARG 70 Cb 0.00 -0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1x57 s ARG 70 CO 0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1x57 n GLY 71 N -0.09 -1.45 0.27 -3.53 0.00 -1.26 -3.89 105.19 95.25 1x57 n GLY 71 Ca -0.09 -1.51 0.16 0.00 0.00 0.00 0.00 46.02 44.59 1x57 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x57 h LYS 72 N -0.08 0.00 -0.30 1.61 1.57 -2.02 -3.27 116.57 114.08 1x57 h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x57 h LYS 72 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1x57 h LYS 72 CO 0.00 0.04 0.00 -0.25 -0.57 0.00 0.00 179.45 178.68 1x57 n ASP 73 N -3.17 0.30 -4.65 0.86 9.92 -1.26 -4.89 116.55 113.66 1x57 n ASP 73 Ca 0.00 -1.03 -0.37 0.00 -0.53 0.00 0.00 54.79 52.86 1x57 n ASP 73 Cb 0.31 -0.15 0.07 0.00 -0.64 0.00 0.00 41.12 40.71 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 n ILE 74 N -0.08 3.84 -0.23 0.53 3.06 -1.24 -2.41 119.36 122.84 1x57 n ILE 74 Ca 0.00 -0.46 0.00 0.00 -2.50 0.00 0.00 62.75 59.79 1x57 n ILE 74 Cb 0.07 -1.23 0.00 0.00 0.54 0.00 0.00 39.64 39.03 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 1.13 1.43 3.74 4.50 0.00 -0.74 -4.92 105.19 110.33 1x57 n GLY 75 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.12 2.69 0.68 1.61 -0.14 -1.01 -4.75 119.74 118.69 1x57 s LYS 76 Ca 0.00 2.02 -0.15 0.00 -1.36 0.00 0.00 55.97 56.48 1x57 s LYS 76 Cb 0.00 -1.89 0.01 0.00 -1.68 0.00 0.00 37.83 34.27 1x57 s LYS 76 CO 0.00 -1.48 1.14 -1.25 -0.76 0.00 0.00 175.35 172.99 1x57 s PRO 77 N -3.34 2.61 -0.03 -1.68 0.04 -1.26 -0.03 135.00 131.31 1x57 s PRO 77 Ca 0.81 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 1x57 s PRO 77 Cb -0.36 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1x57 s PRO 77 CO 0.39 -1.42 0.13 0.96 0.04 0.00 0.00 177.00 177.10 1x57 s ILE 78 N -2.24 5.13 -1.30 0.56 -4.36 -0.71 -4.59 121.20 113.70 1x57 s ILE 78 Ca 0.69 -0.19 -0.07 0.00 -0.26 0.00 0.00 60.65 60.81 1x57 s ILE 78 Cb -0.23 -3.34 0.05 0.00 1.25 0.00 0.00 42.46 40.19 1x57 s ILE 78 CO 0.42 0.40 0.45 -0.62 0.24 0.00 0.00 174.94 175.83 1x57 n GLU 79 N 1.26 -3.51 -3.21 0.37 1.02 -1.26 -4.83 120.64 110.48 1x57 n GLU 79 Ca -0.14 0.56 -0.30 0.00 -0.02 0.00 0.00 57.16 57.27 1x57 n GLU 79 Cb 0.53 -5.28 -0.05 0.00 -0.02 0.00 0.00 31.44 26.62 1x57 n GLU 79 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x57 n LYS 80 N -3.67 3.10 0.00 3.49 4.81 -1.26 -5.00 118.16 119.63 1x57 n LYS 80 Ca -0.05 -4.71 0.00 0.00 -0.87 0.00 0.00 58.31 52.68 1x57 n LYS 80 Cb 0.56 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x57 n GLY 81 N 0.57 1.91 3.56 3.14 0.00 -1.26 -5.06 105.19 108.04 1x57 n GLY 81 Ca 0.31 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1x57 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 82 N -1.96 3.04 -0.23 1.61 0.04 -1.26 -4.92 135.00 131.32 1x57 s PRO 82 Ca 0.00 -0.33 -0.26 0.00 0.04 0.00 0.00 61.00 60.45 1x57 s PRO 82 Cb 0.00 -4.78 0.07 0.00 0.04 0.00 0.00 34.50 29.83 1x57 s PRO 82 CO 0.00 -2.58 0.71 0.50 0.04 0.00 0.00 177.00 175.67 1x57 s ARG 83 N 6.09 0.88 -0.01 4.56 3.52 -1.26 -5.13 118.95 127.59 1x57 s ARG 83 Ca 0.53 0.86 -0.00 0.00 -0.13 0.00 0.00 55.73 57.00 1x57 s ARG 83 Cb -0.06 0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 1x57 s ARG 83 CO 0.05 -0.14 0.02 0.00 -0.81 0.00 0.00 175.30 174.42 1x57 s ALA 84 N 0.10 0.03 1.00 6.12 0.00 -1.26 -4.95 121.76 122.80 1x57 s ALA 84 Ca -0.02 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1x57 s ALA 84 Cb -0.04 -0.12 0.19 0.00 0.00 0.00 0.00 23.12 23.14 1x57 s ALA 84 CO 0.03 -0.05 1.16 -1.59 0.00 0.00 0.00 175.76 175.30 1x57 s LYS 85 N 0.52 0.42 0.47 0.00 -2.85 -1.26 -5.12 119.74 111.92 1x57 s LYS 85 Ca -0.04 0.12 0.03 0.00 -1.00 0.00 0.00 55.97 55.07 1x57 s LYS 85 Cb -0.06 -1.77 -0.03 0.00 -2.06 0.00 0.00 37.83 33.91 1x57 s LYS 85 CO -0.01 -2.65 0.02 -1.12 0.10 0.00 0.00 175.35 171.68 1x57 s SER 86 N -4.07 3.85 0.00 0.03 0.01 -1.26 -5.05 113.70 107.21 1x57 s SER 86 Ca 0.67 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x57 s SER 86 Cb -0.12 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1x57 s SER 86 CO 0.54 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x57 n GLY 87 N -1.15 -1.50 3.55 3.44 0.00 -1.26 -5.05 105.19 103.23 1x57 n GLY 87 Ca -0.14 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 1x57 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 88 N 0.00 2.63 -0.28 1.61 0.04 -1.26 -4.93 135.00 132.81 1x57 s PRO 88 Ca 0.00 0.39 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 1x57 s PRO 88 Cb 0.00 -4.54 -0.05 0.00 0.04 0.00 0.00 34.50 29.96 1x57 s PRO 88 CO 0.00 -2.86 2.18 -1.12 0.04 0.00 0.00 177.00 175.24 1x57 s SER 89 N 7.99 5.37 0.41 6.66 0.01 -1.26 -4.59 113.70 128.29 1x57 s SER 89 Ca 0.67 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1x57 s SER 89 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1x57 s SER 89 CO 0.16 -2.06 0.00 -1.20 0.41 0.00 0.00 173.24 170.55 1x57 n SER 90 N 12.08 -7.36 0.00 2.44 7.64 -1.26 -5.30 113.62 121.86 1x57 n SER 90 Ca 0.30 0.87 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x57 n SER 90 Cb 0.47 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64