#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 s SER 2 N 0.00 0.20 -0.81 1.61 0.01 -1.26 -4.99 113.70 108.45 1x57 s SER 2 Ca 0.00 -1.35 -0.01 0.00 1.31 0.00 0.00 55.95 55.91 1x57 s SER 2 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1x57 s SER 2 CO 0.00 -0.90 0.63 -1.20 0.41 0.00 0.00 173.24 172.19 1x57 n SER 3 N -0.36 -5.62 -3.74 2.44 7.64 -1.26 -5.02 113.62 107.71 1x57 n SER 3 Ca 0.02 -0.74 -0.06 0.00 1.01 0.00 0.00 58.87 59.10 1x57 n SER 3 Cb 0.65 -2.65 -0.01 0.00 -1.01 0.00 0.00 64.21 61.19 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 -3.01 -0.09 0.03 0.23 0.00 -1.26 -4.65 107.32 98.57 1x57 s GLY 4 Ca 0.01 -0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.24 1x57 s GLY 4 CO 0.86 -0.00 0.82 -1.35 0.00 0.00 0.00 173.10 173.42 1x57 s SER 5 N -2.96 -0.42 0.75 1.64 1.04 -1.26 -5.17 113.70 107.33 1x57 s SER 5 Ca 0.12 0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.46 1x57 s SER 5 Cb -0.04 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1x57 s SER 5 CO 0.06 -0.70 1.08 -0.94 0.98 0.00 0.00 173.24 173.72 1x57 s SER 6 N -2.51 4.89 0.59 7.02 1.04 -1.26 -5.06 113.70 118.41 1x57 s SER 6 Ca 0.04 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 57.88 1x57 s SER 6 Cb -0.01 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1x57 s SER 6 CO -0.10 -1.75 1.08 -0.83 0.98 0.00 0.00 173.24 172.62 1x57 s GLY 7 N -3.72 2.27 0.00 7.32 0.00 -1.26 -5.08 107.32 106.85 1x57 s GLY 7 Ca 0.60 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.86 1x57 s GLY 7 CO 0.55 0.87 -0.04 -0.35 0.00 0.00 0.00 173.10 174.13 1x57 s ASP 8 N -2.45 0.44 0.84 1.64 2.15 -1.26 -5.10 116.67 112.93 1x57 s ASP 8 Ca 0.67 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.50 1x57 s ASP 8 Cb -0.19 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.41 1x57 s ASP 8 CO 0.34 -0.01 0.00 -1.14 -0.17 0.00 0.00 175.17 174.20 1x57 n ARG 9 N 2.73 0.00 -2.57 4.34 0.63 -1.26 -4.62 116.66 115.92 1x57 n ARG 9 Ca -0.14 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.36 1x57 n ARG 9 Cb 0.58 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.47 1x57 n ARG 9 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1x57 s VAL 10 N 0.00 4.40 -0.43 5.15 -7.23 -1.26 -4.97 120.40 116.07 1x57 s VAL 10 Ca 0.00 1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 61.51 1x57 s VAL 10 Cb 0.00 -4.31 -0.01 0.00 0.56 0.00 0.00 36.38 32.63 1x57 s VAL 10 CO 0.00 -0.43 1.63 0.42 -0.31 0.00 0.00 175.10 176.41 1x57 s THR 11 N 3.80 3.64 0.78 5.32 -4.23 -1.26 -4.98 115.64 118.70 1x57 s THR 11 Ca 0.49 0.61 -0.15 0.00 -1.18 0.00 0.00 61.69 61.46 1x57 s THR 11 Cb -0.14 -3.98 0.03 0.00 1.34 0.00 0.00 72.50 69.75 1x57 s THR 11 CO 0.17 -0.70 0.90 0.18 -0.54 0.00 0.00 174.62 174.63 1x57 n LEU 12 N 10.08 2.87 -0.22 4.79 7.99 -1.26 -4.60 117.00 136.65 1x57 n LEU 12 Ca 0.19 0.58 -0.10 0.00 -0.01 0.00 0.00 56.01 56.67 1x57 n LEU 12 Cb 0.48 -1.38 -0.06 0.00 -0.11 0.00 0.00 43.42 42.35 1x57 n LEU 12 CO 0.70 -2.31 0.54 -0.33 -1.51 0.00 0.00 177.39 174.47 1x57 h GLU 13 N -0.68 -0.23 0.58 3.23 5.08 -1.97 0.23 114.58 120.82 1x57 h GLU 13 Ca -0.46 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1x57 h GLU 13 Cb 1.32 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1x57 h GLU 13 CO 0.44 -0.16 -0.36 0.28 -1.00 0.00 0.00 179.01 178.22 1x57 h VAL 14 N -0.24 0.27 -0.63 3.13 2.07 -1.91 -0.96 116.25 117.98 1x57 h VAL 14 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1x57 h VAL 14 Cb 0.56 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1x57 h VAL 14 CO -0.70 0.00 0.42 1.23 0.02 0.00 0.00 177.57 178.53 1x57 h GLY 15 N -0.89 0.81 0.57 2.17 0.00 -1.58 -0.37 103.07 103.78 1x57 h GLY 15 Ca -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1x57 h GLY 15 CO 0.07 0.21 -0.08 1.70 0.00 0.00 0.00 176.54 178.45 1x57 h LYS 16 N 0.67 -0.21 -0.59 4.80 1.63 -0.31 -1.20 116.57 121.36 1x57 h LYS 16 Ca 0.26 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1x57 h LYS 16 Cb 0.20 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 1x57 h LYS 16 CO -0.08 0.17 0.30 0.28 -3.45 0.00 0.00 179.45 176.67 1x57 h VAL 17 N -0.64 1.19 0.81 2.00 2.07 -0.89 -0.42 116.25 120.37 1x57 h VAL 17 Ca -0.02 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1x57 h VAL 17 Cb 0.48 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1x57 h VAL 17 CO 0.04 0.22 -0.49 0.40 0.02 0.00 0.00 177.57 177.75 1x57 h ILE 18 N 0.83 0.00 -0.24 4.57 2.04 -1.04 0.17 117.51 123.84 1x57 h ILE 18 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 1x57 h ILE 18 Cb 0.07 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.09 1x57 h ILE 18 CO -0.03 0.00 -0.12 -0.61 0.00 0.00 0.00 178.15 177.39 1x57 h GLN 19 N -1.22 -0.09 -0.30 2.37 4.15 -0.77 -0.38 115.11 118.86 1x57 h GLN 19 Ca -0.11 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.36 1x57 h GLN 19 Cb 0.97 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.64 1x57 h GLN 19 CO 0.11 -0.06 0.06 1.96 -1.93 0.00 0.00 178.83 178.97 1x57 h GLN 20 N -0.09 0.17 -0.04 1.69 1.08 -1.05 0.09 115.11 116.96 1x57 h GLN 20 Ca 0.13 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 57.10 1x57 h GLN 20 Cb 0.29 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1x57 h GLN 20 CO -0.30 0.11 -0.88 0.78 -0.95 0.00 0.00 178.83 177.59 1x57 h GLY 21 N 0.17 0.56 0.69 3.46 0.00 -0.61 -0.79 103.07 106.54 1x57 h GLY 21 Ca 0.14 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1x57 h GLY 21 CO -0.19 0.80 -0.31 3.21 0.00 0.00 0.00 176.54 180.05 1x57 h ARG 22 N 0.31 -0.65 -0.49 4.80 3.08 -0.90 -3.09 114.38 117.43 1x57 h ARG 22 Ca -0.07 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1x57 h ARG 22 Cb 1.51 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 31.61 1x57 h ARG 22 CO 0.16 -0.43 -0.08 1.96 -1.07 0.00 0.00 179.97 180.51 1x57 h GLN 23 N -0.67 0.04 0.00 0.04 4.20 -0.91 0.02 115.11 117.83 1x57 h GLN 23 Ca -0.02 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1x57 h GLN 23 Cb 0.60 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1x57 h GLN 23 CO -0.04 0.03 0.00 0.43 -0.67 0.00 0.00 178.83 178.57 1x57 n SER 24 N -5.31 0.00 0.00 1.46 7.64 -0.31 -1.38 113.62 115.73 1x57 n SER 24 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x57 n SER 24 Cb 0.27 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.29 0.37 -1.26 1.43 5.02 -0.61 -5.01 118.16 116.81 1x57 n LYS 25 Ca 0.03 -0.56 -0.09 0.00 -2.02 0.00 0.00 58.31 55.67 1x57 n LYS 25 Cb 0.04 -0.73 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.10 0.97 3.70 0.72 0.00 -0.48 -4.96 105.19 105.04 1x57 n GLY 26 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.06 4.32 1.05 0.99 1.43 -0.11 -4.97 118.68 119.34 1x57 s LEU 27 Ca 0.00 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1x57 s LEU 27 Cb 0.00 -3.57 0.22 0.00 0.03 0.00 0.00 46.19 42.87 1x57 s LEU 27 CO 0.00 -0.58 1.08 0.42 0.23 0.00 0.00 176.35 177.50 1x57 s THR 28 N 1.80 2.05 0.37 5.49 -4.23 -1.26 -4.52 115.64 115.34 1x57 s THR 28 Ca 0.59 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1x57 s THR 28 Cb -0.28 -2.39 0.22 0.00 1.34 0.00 0.00 72.50 71.38 1x57 s THR 28 CO 0.26 -0.02 1.97 1.56 -0.54 0.00 0.00 174.62 177.85 1x57 h GLN 29 N -2.10 0.58 -0.14 3.99 4.20 -1.95 -2.53 115.11 117.15 1x57 h GLN 29 Ca -0.57 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 57.93 1x57 h GLN 29 Cb 1.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1x57 h GLN 29 CO 0.56 0.47 -0.53 0.87 -0.67 0.00 0.00 178.83 179.53 1x57 h LYS 30 N 0.58 0.41 0.04 1.46 6.56 -1.92 -2.08 116.57 121.62 1x57 h LYS 30 Ca 0.14 -0.25 0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1x57 h LYS 30 Cb 0.10 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.76 1x57 h LYS 30 CO -0.02 0.84 -0.11 -0.44 -2.06 0.00 0.00 179.45 177.66 1x57 h ASP 31 N 0.32 -0.31 -0.27 0.86 3.32 -1.84 -1.11 116.42 117.39 1x57 h ASP 31 Ca 0.01 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.13 1x57 h ASP 31 Cb 1.03 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1x57 h ASP 31 CO 0.09 -0.17 0.09 0.25 -1.72 0.00 0.00 179.24 177.79 1x57 h LEU 32 N -0.21 0.11 -0.37 1.55 7.12 -1.39 0.43 115.31 122.55 1x57 h LEU 32 Ca 0.03 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.14 1x57 h LEU 32 Cb 0.24 0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.32 1x57 h LEU 32 CO -0.08 0.10 -0.07 0.00 -0.13 0.00 0.00 178.44 178.26 1x57 h ALA 33 N 1.16 0.27 -0.51 1.25 0.00 -1.17 -1.38 119.26 118.89 1x57 h ALA 33 Ca 0.12 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x57 h ALA 33 Cb 0.08 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1x57 h ALA 33 CO -0.12 -0.44 0.31 1.15 0.00 0.00 0.00 179.25 180.15 1x57 h THR 34 N 0.03 1.15 -0.59 0.00 2.02 -0.60 0.96 112.91 115.87 1x57 h THR 34 Ca 0.18 -0.32 0.17 0.00 0.77 0.00 0.00 66.41 67.21 1x57 h THR 34 Cb 0.27 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1x57 h THR 34 CO -0.36 0.15 0.47 0.11 0.37 0.00 0.00 175.52 176.26 1x57 h LYS 35 N 0.68 0.00 -0.21 6.66 1.57 0.13 -1.27 116.57 124.13 1x57 h LYS 35 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x57 h LYS 35 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1x57 h LYS 35 CO -0.04 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.28 1x57 n ILE 36 N -4.14 0.77 -1.66 1.86 -5.35 -0.78 -4.93 119.36 105.14 1x57 n ILE 36 Ca 0.11 -0.89 -0.17 0.00 -0.27 0.00 0.00 62.75 61.54 1x57 n ILE 36 Cb 0.71 0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 39.20 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 0.35 -4.56 -4.75 7.28 4.05 0.19 -4.97 115.26 112.85 1x57 n ASN 37 Ca 0.08 0.36 -0.27 0.00 0.45 0.00 0.00 54.58 55.20 1x57 n ASN 37 Cb 0.35 -4.07 -0.07 0.00 1.23 0.00 0.00 39.78 37.22 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1x57 s GLU 38 N -3.72 2.17 0.29 1.20 -6.30 -0.39 -4.97 118.70 106.98 1x57 s GLU 38 Ca 0.00 -2.05 -0.29 0.00 -2.50 0.00 0.00 54.97 50.13 1x57 s GLU 38 Cb 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 34.13 32.20 1x57 s GLU 38 CO 0.00 -0.24 1.19 0.15 0.02 0.00 0.00 175.26 176.38 1x57 s LYS 39 N -3.92 4.52 0.04 4.30 1.02 -1.26 -4.29 119.74 120.15 1x57 s LYS 39 Ca 0.31 1.96 0.22 0.00 0.02 0.00 0.00 55.97 58.48 1x57 s LYS 39 Cb 0.04 -3.15 0.91 0.00 -0.52 0.00 0.00 37.83 35.11 1x57 s LYS 39 CO 0.17 0.04 1.70 -0.35 -0.92 0.00 0.00 175.35 175.99 1x57 n PRO 40 N 1.16 0.04 0.37 -1.68 -0.04 -1.26 -1.85 135.00 131.74 1x57 n PRO 40 Ca -0.00 0.16 -0.18 0.00 -0.04 0.00 0.00 63.50 63.44 1x57 n PRO 40 Cb 0.44 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.95 0.00 0.54 5.75 -1.93 -3.05 115.11 115.47 1x57 h GLN 41 Ca 0.00 0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1x57 h GLN 41 Cb 0.40 0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1x57 h GLN 41 CO 0.00 -0.63 -0.15 -0.39 -2.65 0.00 0.00 178.83 175.00 1x57 h VAL 42 N -0.99 0.54 -0.19 2.39 -1.51 -1.76 -0.98 116.25 113.77 1x57 h VAL 42 Ca -0.09 -0.73 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 1x57 h VAL 42 Cb 0.78 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1x57 h VAL 42 CO 0.11 0.15 0.07 0.40 -1.23 0.00 0.00 177.57 177.08 1x57 h ILE 43 N 0.00 1.16 -0.46 7.19 1.08 -1.60 0.20 117.51 125.09 1x57 h ILE 43 Ca -0.00 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 63.92 1x57 h ILE 43 Cb 0.48 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1x57 h ILE 43 CO 0.02 0.15 -0.00 0.00 -0.69 0.00 0.00 178.15 177.63 1x57 h ALA 44 N 0.92 1.14 -0.04 1.87 0.00 -1.12 -2.75 119.26 119.28 1x57 h ALA 44 Ca 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1x57 h ALA 44 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1x57 h ALA 44 CO -0.01 0.55 -0.63 -0.44 0.00 0.00 0.00 179.25 178.73 1x57 h ASP 45 N 0.70 0.16 -0.86 0.00 5.19 -1.06 -2.95 116.42 117.61 1x57 h ASP 45 Ca 0.14 -0.10 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1x57 h ASP 45 Cb 0.44 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 1x57 h ASP 45 CO 0.02 0.75 0.57 1.88 -3.12 0.00 0.00 179.24 179.34 1x57 h TYR 46 N 0.10 1.04 0.86 4.55 0.05 -0.39 -0.32 116.97 122.86 1x57 h TYR 46 Ca -0.01 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1x57 h TYR 46 Cb 1.13 -0.35 0.01 0.00 1.01 0.00 0.00 36.73 38.54 1x57 h TYR 46 CO 0.01 0.60 -0.42 0.93 -1.05 0.00 0.00 178.16 178.24 1x57 h GLU 47 N 1.07 -1.12 0.00 4.88 5.08 -1.31 -3.17 114.58 120.01 1x57 h GLU 47 Ca 0.34 0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 1x57 h GLU 47 Cb 0.02 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1x57 h GLU 47 CO -0.10 -0.74 -0.24 0.66 -1.00 0.00 0.00 179.01 177.59 1x57 h SER 48 N -1.20 0.00 0.00 1.42 4.64 -1.53 -3.37 113.55 113.51 1x57 h SER 48 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1x57 h SER 48 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1x57 h SER 48 CO 0.19 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 1x57 n GLY 49 N -0.52 0.86 0.25 -0.77 0.00 -0.67 -4.89 105.19 99.45 1x57 n GLY 49 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 3.80 0.79 -6.78 1.61 3.08 -1.42 -3.43 114.38 112.03 1x57 h ARG 50 Ca 0.00 -0.38 -0.51 0.00 0.07 0.00 0.00 59.98 59.15 1x57 h ARG 50 Cb 0.00 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 1x57 h ARG 50 CO 0.00 1.01 0.55 0.00 -1.07 0.00 0.00 179.97 180.46 1x57 s ALA 51 N -4.41 3.45 -0.05 0.04 0.00 -0.40 -4.96 121.76 115.44 1x57 s ALA 51 Ca -0.09 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 52.59 1x57 s ALA 51 Cb 0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1x57 s ALA 51 CO 0.85 -0.36 1.14 0.42 0.00 0.00 0.00 175.76 177.81 1x57 s ILE 52 N -0.77 4.39 0.76 0.00 -1.09 -1.26 -4.72 121.20 118.50 1x57 s ILE 52 Ca 0.49 1.70 -0.11 0.00 -2.23 0.00 0.00 60.65 60.49 1x57 s ILE 52 Cb -0.34 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1x57 s ILE 52 CO 0.43 0.03 1.10 -2.16 -1.23 0.00 0.00 174.94 173.11 1x57 s PRO 53 N 1.93 2.25 -0.01 2.79 0.04 -1.26 -5.06 135.00 135.68 1x57 s PRO 53 Ca 0.54 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1x57 s PRO 53 Cb -0.24 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1x57 s PRO 53 CO 0.22 -1.66 -0.04 1.21 0.04 0.00 0.00 177.00 176.78 1x57 s ASN 54 N -3.13 0.55 0.42 6.66 3.84 -1.26 -5.04 114.94 116.98 1x57 s ASN 54 Ca 0.63 -0.08 0.15 0.00 0.21 0.00 0.00 52.86 53.77 1x57 s ASN 54 Cb -0.19 -0.13 1.03 0.00 -0.55 0.00 0.00 41.25 41.42 1x57 s ASN 54 CO 0.53 0.02 1.92 0.78 -2.79 0.00 0.00 177.10 177.56 1x57 h ASN 55 N 6.35 0.41 0.76 -4.21 4.21 -1.98 0.23 115.58 121.36 1x57 h ASN 55 Ca -0.31 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.18 1x57 h ASN 55 Cb 1.18 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 38.33 1x57 h ASN 55 CO 0.50 0.22 -0.37 -0.61 -1.29 0.00 0.00 177.43 175.88 1x57 h GLN 56 N 0.44 -0.98 -0.22 0.81 4.15 -1.98 -1.40 115.11 115.92 1x57 h GLN 56 Ca 0.37 0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.81 1x57 h GLN 56 Cb 0.81 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1x57 h GLN 56 CO -0.12 -0.64 -0.03 0.28 -1.93 0.00 0.00 178.83 176.39 1x57 h VAL 57 N -1.12 1.27 -0.62 2.39 2.07 -1.77 -2.55 116.25 115.93 1x57 h VAL 57 Ca -0.10 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.53 1x57 h VAL 57 Cb 0.80 1.48 -0.11 0.00 -1.52 0.00 0.00 31.29 31.94 1x57 h VAL 57 CO 0.17 0.30 -0.42 -0.07 0.02 0.00 0.00 177.57 177.57 1x57 h LEU 58 N 0.15 -1.46 -1.06 2.57 3.38 -0.65 0.26 115.31 118.49 1x57 h LEU 58 Ca 0.06 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1x57 h LEU 58 Cb 0.47 0.68 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1x57 h LEU 58 CO 0.02 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1x57 n GLY 59 N -1.41 -0.96 0.12 0.83 0.00 -0.53 -1.17 105.19 102.07 1x57 n GLY 59 Ca 0.03 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1x57 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x57 h LYS 60 N 0.00 0.10 -0.92 1.61 1.57 -0.55 -3.36 116.57 115.02 1x57 h LYS 60 Ca 0.00 -0.16 0.16 0.00 -1.87 0.00 0.00 60.65 58.77 1x57 h LYS 60 Cb 0.11 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1x57 h LYS 60 CO 0.00 1.08 0.59 0.82 -0.57 0.00 0.00 179.45 181.37 1x57 h ILE 61 N -0.65 0.80 0.16 1.86 2.04 0.27 0.36 117.51 122.36 1x57 h ILE 61 Ca -0.36 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.28 1x57 h ILE 61 Cb 1.54 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1x57 h ILE 61 CO -0.10 0.13 -0.26 -0.33 0.00 0.00 0.00 178.15 177.59 1x57 h GLU 62 N 0.69 -0.47 0.00 2.37 5.08 -1.31 -0.66 114.58 120.28 1x57 h GLU 62 Ca 0.47 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1x57 h GLU 62 Cb 0.78 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x57 h GLU 62 CO -0.23 -0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.01 1x57 n ARG 63 N -5.38 0.11 0.09 2.33 1.74 -0.46 0.26 116.66 115.36 1x57 n ARG 63 Ca -0.07 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.19 1x57 n ARG 63 Cb 0.29 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 1x57 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 h ALA 64 N 2.58 0.56 0.00 7.54 0.00 0.57 -3.39 119.26 127.12 1x57 h ALA 64 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x57 h ALA 64 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1x57 h ALA 64 CO 0.00 0.92 -0.10 0.44 0.00 0.00 0.00 179.25 180.51 1x57 n ILE 65 N -3.23 0.00 -3.18 0.00 -5.35 -0.92 -4.95 119.36 101.72 1x57 n ILE 65 Ca -0.01 -0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.05 1x57 n ILE 65 Cb 0.83 0.89 0.05 0.00 -1.74 0.00 0.00 39.64 39.67 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 0.76 -0.11 3.28 3.28 0.00 0.14 -4.95 105.19 107.59 1x57 n GLY 66 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.30 2.34 0.28 0.99 1.43 -1.18 -2.91 118.68 114.33 1x57 s LEU 67 Ca 0.37 -1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 1x57 s LEU 67 Cb -0.16 -0.27 -0.10 0.00 0.03 0.00 0.00 46.19 45.69 1x57 s LEU 67 CO 0.46 -0.44 1.10 -0.54 0.23 0.00 0.00 176.35 177.16 1x57 s LYS 68 N -3.82 4.63 -0.02 1.70 1.02 0.69 -4.33 119.74 119.60 1x57 s LYS 68 Ca 0.22 1.80 0.05 0.00 0.02 0.00 0.00 55.97 58.06 1x57 s LYS 68 Cb 0.04 -3.17 0.12 0.00 -0.52 0.00 0.00 37.83 34.29 1x57 s LYS 68 CO 0.04 0.20 1.09 1.28 -0.92 0.00 0.00 175.35 177.04 1x57 n LEU 69 N 1.16 2.32 -4.10 3.17 7.99 -1.26 -1.41 117.00 124.86 1x57 n LEU 69 Ca -0.01 -2.13 -0.08 0.00 -0.01 0.00 0.00 56.01 53.79 1x57 n LEU 69 Cb 0.45 -0.11 -0.10 0.00 -0.11 0.00 0.00 43.42 43.55 1x57 n LEU 69 CO 0.54 0.58 -0.34 -0.13 -1.51 0.00 0.00 177.39 176.53 1x57 s ARG 70 N -1.22 0.71 0.12 3.23 0.52 -1.26 -4.90 118.95 116.15 1x57 s ARG 70 Ca 0.10 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1x57 s ARG 70 Cb 0.06 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.76 1x57 s ARG 70 CO 0.04 -0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.62 1x57 n GLY 71 N 0.05 -2.16 0.22 -3.53 0.00 -1.26 -3.80 105.19 94.71 1x57 n GLY 71 Ca -0.12 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.66 1x57 n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1x57 h LYS 72 N -0.35 0.00 -0.45 1.61 -0.00 -2.01 -2.59 116.57 112.78 1x57 h LYS 72 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 1x57 h LYS 72 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.57 1x57 h LYS 72 CO 0.01 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.21 1x57 n ASP 73 N -2.71 0.45 -4.62 7.07 9.92 -1.26 -4.91 116.55 120.48 1x57 n ASP 73 Ca 0.01 -1.80 -0.42 0.00 -0.53 0.00 0.00 54.79 52.05 1x57 n ASP 73 Cb 0.24 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.22 2.27 -0.86 0.53 3.06 -0.98 -1.84 119.36 121.31 1x57 n ILE 74 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1x57 n ILE 74 Cb 0.11 -1.18 0.00 0.00 0.54 0.00 0.00 39.64 39.11 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 0.73 3.82 4.50 0.00 -0.50 -4.54 105.19 110.34 1x57 n GLY 75 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.27 3.66 0.85 1.61 -0.14 -0.77 -4.47 119.74 120.22 1x57 s LYS 76 Ca 0.00 1.07 -0.11 0.00 -1.36 0.00 0.00 55.97 55.57 1x57 s LYS 76 Cb 0.00 -2.09 0.10 0.00 -1.68 0.00 0.00 37.83 34.17 1x57 s LYS 76 CO 0.00 -0.52 1.09 -1.25 -0.76 0.00 0.00 175.35 173.91 1x57 s PRO 77 N -4.07 1.61 0.42 -1.68 0.04 -1.26 -0.23 135.00 129.83 1x57 s PRO 77 Ca 0.61 0.89 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1x57 s PRO 77 Cb -0.13 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x57 s PRO 77 CO 0.34 -2.02 0.23 0.96 0.04 0.00 0.00 177.00 176.55 1x57 s ILE 78 N -2.95 2.36 0.41 0.56 -4.36 -1.15 -4.51 121.20 111.57 1x57 s ILE 78 Ca 0.62 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.41 1x57 s ILE 78 Cb -0.17 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.57 1x57 s ILE 78 CO 0.56 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 175.12 1x57 n GLU 79 N -1.33 -2.22 -2.67 0.37 1.02 -1.26 -4.51 120.64 110.04 1x57 n GLU 79 Ca -0.00 1.80 -0.43 0.00 -0.02 0.00 0.00 57.16 58.51 1x57 n GLU 79 Cb 0.64 -2.60 -0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 80 N -3.75 4.01 -0.14 3.49 1.02 -1.26 -4.79 119.74 118.32 1x57 s LYS 80 Ca 0.00 -2.14 -0.05 0.00 0.02 0.00 0.00 55.97 53.80 1x57 s LYS 80 Cb 0.00 -5.43 0.07 0.00 -0.52 0.00 0.00 37.83 31.95 1x57 s LYS 80 CO 0.00 -2.14 0.30 0.20 -0.92 0.00 0.00 175.35 172.79 1x57 s GLY 81 N 3.90 -0.18 -1.21 -3.33 0.00 -1.26 -5.06 107.32 100.17 1x57 s GLY 81 Ca 0.51 1.08 -0.14 0.00 0.00 0.00 0.00 44.72 46.17 1x57 s GLY 81 CO 0.06 2.02 2.25 -1.55 0.00 0.00 0.00 173.10 175.88 1x57 n PRO 82 N 5.26 2.50 -1.28 2.90 -0.04 -1.26 -4.88 135.00 138.20 1x57 n PRO 82 Ca -0.08 -2.15 -0.30 0.00 -0.04 0.00 0.00 63.50 60.93 1x57 n PRO 82 Cb 0.50 -2.98 0.23 0.00 -0.04 0.00 0.00 33.50 31.21 1x57 n PRO 82 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x57 s ARG 83 N 3.58 -0.81 0.00 0.54 1.81 -1.26 -4.85 118.95 117.95 1x57 s ARG 83 Ca 0.53 -0.15 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 1x57 s ARG 83 Cb 0.14 -1.65 0.00 0.00 -0.45 0.00 0.00 34.95 32.99 1x57 s ARG 83 CO -0.02 -3.42 0.00 0.00 -0.68 0.00 0.00 175.30 171.18 1x57 n ALA 84 N -4.54 -0.42 -1.36 2.13 0.00 -1.26 -4.78 120.51 110.28 1x57 n ALA 84 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 1x57 n ALA 84 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1x57 n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x57 n LYS 85 N 0.26 2.36 -2.65 0.00 4.01 -1.26 -4.48 118.16 116.40 1x57 n LYS 85 Ca 0.00 -2.15 -0.34 0.00 -0.51 0.00 0.00 58.31 55.31 1x57 n LYS 85 Cb 0.00 -3.01 -0.05 0.00 -0.51 0.00 0.00 35.03 31.46 1x57 n LYS 85 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x57 s SER 86 N 3.77 6.61 -0.39 4.39 0.01 -1.26 -5.04 113.70 121.80 1x57 s SER 86 Ca 0.52 1.85 -0.02 0.00 1.31 0.00 0.00 55.95 59.61 1x57 s SER 86 Cb 0.14 -2.56 0.21 0.00 0.21 0.00 0.00 66.02 64.03 1x57 s SER 86 CO -0.00 -0.59 1.01 0.61 0.41 0.00 0.00 173.24 174.68 1x57 n GLY 87 N -0.33 -1.35 3.50 3.44 0.00 -1.26 -4.18 105.19 105.01 1x57 n GLY 87 Ca 0.08 1.01 -0.28 0.00 0.00 0.00 0.00 46.02 46.83 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 0.86 -0.94 -0.01 1.61 0.04 -1.26 -5.08 135.00 130.21 1x57 s PRO 88 Ca 0.26 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 1x57 s PRO 88 Cb 0.11 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 33.10 1x57 s PRO 88 CO -0.10 -3.72 0.19 0.45 0.04 0.00 0.00 177.00 173.86 1x57 s SER 89 N -2.62 -0.05 0.07 6.66 0.15 -1.26 -5.04 113.70 111.61 1x57 s SER 89 Ca 0.68 -0.07 -0.06 0.00 0.70 0.00 0.00 55.95 57.20 1x57 s SER 89 Cb -0.24 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1x57 s SER 89 CO 0.64 -0.36 0.12 -0.44 1.20 0.00 0.00 173.24 174.41 1x57 s SER 90 N -1.21 0.23 0.00 5.45 0.01 -1.26 -5.22 113.70 111.70 1x57 s SER 90 Ca -0.13 -0.74 0.27 0.00 1.31 0.00 0.00 55.95 56.66 1x57 s SER 90 Cb -0.06 0.29 0.83 0.00 0.21 0.00 0.00 66.02 67.29 1x57 s SER 90 CO 0.02 -0.68 1.62 0.61 0.41 0.00 0.00 173.24 175.22