#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 2.80 -4.55 1.61 3.41 -1.26 -4.90 113.62 110.73 1x57 n SER 2 Ca 0.00 1.17 -0.40 0.00 -0.26 0.00 0.00 58.87 59.37 1x57 n SER 2 Cb 0.00 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.46 1x57 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x57 s SER 3 N 0.05 6.15 -0.81 4.04 0.01 -1.26 -4.94 113.70 116.94 1x57 s SER 3 Ca 0.63 -0.62 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 1x57 s SER 3 Cb -0.61 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 62.97 1x57 s SER 3 CO 0.55 -1.83 2.20 -0.83 0.41 0.00 0.00 173.24 173.74 1x57 s GLY 4 N 4.44 -0.36 0.00 3.44 0.00 -1.26 -4.23 107.32 109.35 1x57 s GLY 4 Ca 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1x57 s GLY 4 CO 0.09 3.90 0.00 1.44 0.00 0.00 0.00 173.10 178.53 1x57 n SER 5 N 16.39 0.00 -0.77 1.64 7.64 -1.26 -4.63 113.62 132.64 1x57 n SER 5 Ca 0.42 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.24 1x57 n SER 5 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 1x57 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x57 n SER 6 N 1.18 -2.98 -1.18 6.43 3.41 -1.26 -4.94 113.62 114.28 1x57 n SER 6 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1x57 n SER 6 Cb 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 64.21 61.47 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 7 N 0.10 1.02 1.38 5.00 0.00 -1.26 -5.06 105.19 106.36 1x57 n GLY 7 Ca -0.06 -1.92 0.16 0.00 0.00 0.00 0.00 46.02 44.19 1x57 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x57 n ASP 8 N -0.59 -7.46 0.00 1.61 8.00 -1.26 -4.99 116.55 111.86 1x57 n ASP 8 Ca 0.00 1.42 0.00 0.00 0.71 0.00 0.00 54.79 56.92 1x57 n ASP 8 Cb 0.00 -4.73 0.00 0.00 -0.02 0.00 0.00 41.12 36.37 1x57 n ASP 8 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x57 n ARG 9 N -4.12 3.31 -2.89 -1.24 1.74 -1.26 -5.00 116.66 107.19 1x57 n ARG 9 Ca -0.09 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.56 1x57 n ARG 9 Cb 0.64 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1x57 n ARG 9 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x57 n VAL 10 N -0.50 4.42 -4.04 1.55 0.31 -1.26 -4.93 118.33 113.88 1x57 n VAL 10 Ca 0.00 -4.87 -0.12 0.00 -0.01 0.00 0.00 64.34 59.34 1x57 n VAL 10 Cb 0.00 -2.43 -0.11 0.00 -0.91 0.00 0.00 33.84 30.38 1x57 n VAL 10 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1x57 s THR 11 N 0.45 0.40 0.53 2.52 -4.23 -1.26 -5.12 115.64 108.93 1x57 s THR 11 Ca 0.39 -0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 59.69 1x57 s THR 11 Cb -0.01 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.29 1x57 s THR 11 CO -0.00 -0.40 1.30 -0.76 -0.54 0.00 0.00 174.62 174.22 1x57 s LEU 12 N -1.48 3.87 0.31 4.79 1.02 -1.26 -4.71 118.68 121.21 1x57 s LEU 12 Ca -0.11 2.63 -0.00 0.00 0.02 0.00 0.00 54.13 56.67 1x57 s LEU 12 Cb -0.10 -4.30 0.49 0.00 0.02 0.00 0.00 46.19 42.30 1x57 s LEU 12 CO -0.00 -1.43 1.91 -0.33 0.02 0.00 0.00 176.35 176.51 1x57 h GLU 13 N 1.53 0.86 0.53 1.70 5.08 -1.98 0.14 114.58 122.45 1x57 h GLU 13 Ca -0.50 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 57.72 1x57 h GLU 13 Cb 1.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1x57 h GLU 13 CO 0.58 0.68 -0.45 0.28 -1.00 0.00 0.00 179.01 179.09 1x57 h VAL 14 N 0.86 0.00 -0.80 3.13 2.07 -1.91 0.37 116.25 119.97 1x57 h VAL 14 Ca 0.21 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 1x57 h VAL 14 Cb 0.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1x57 h VAL 14 CO -0.03 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.33 1x57 h GLY 15 N -0.96 0.72 0.48 2.17 0.00 -1.42 0.42 103.07 104.48 1x57 h GLY 15 Ca -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1x57 h GLY 15 CO -0.01 0.04 -0.12 1.70 0.00 0.00 0.00 176.54 178.14 1x57 h LYS 16 N 0.39 0.13 -1.01 4.80 1.63 -0.41 -0.70 116.57 121.41 1x57 h LYS 16 Ca 0.40 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 60.11 1x57 h LYS 16 Cb 0.97 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.57 1x57 h LYS 16 CO -0.13 0.75 0.67 0.28 -3.45 0.00 0.00 179.45 177.57 1x57 h VAL 17 N -0.45 1.25 0.76 2.00 2.07 -0.43 0.71 116.25 122.15 1x57 h VAL 17 Ca -0.01 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1x57 h VAL 17 Cb 0.77 -0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1x57 h VAL 17 CO 0.03 0.25 -0.46 0.40 0.02 0.00 0.00 177.57 177.80 1x57 h ILE 18 N 1.35 0.08 -0.59 4.57 2.04 -0.94 -0.04 117.51 123.98 1x57 h ILE 18 Ca 0.38 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.32 1x57 h ILE 18 Cb -0.13 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 35.95 1x57 h ILE 18 CO -0.09 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.67 1x57 h GLN 19 N -1.14 0.39 0.32 2.37 4.15 -0.72 -0.74 115.11 119.73 1x57 h GLN 19 Ca -0.10 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1x57 h GLN 19 Cb 0.92 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1x57 h GLN 19 CO 0.10 0.26 -0.32 1.96 -1.93 0.00 0.00 178.83 178.90 1x57 h GLN 20 N 0.40 -0.62 -0.49 1.69 4.20 -0.78 -1.01 115.11 118.50 1x57 h GLN 20 Ca 0.29 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1x57 h GLN 20 Cb 0.35 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1x57 h GLN 20 CO -0.29 -0.41 0.29 0.78 -0.67 0.00 0.00 178.83 178.53 1x57 h GLY 21 N -0.64 0.69 0.87 3.46 0.00 -0.54 0.17 103.07 107.09 1x57 h GLY 21 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1x57 h GLY 21 CO -0.04 0.27 -0.26 3.21 0.00 0.00 0.00 176.54 179.71 1x57 h ARG 22 N 0.66 -0.71 -0.94 4.80 3.08 -1.10 -2.52 114.38 117.65 1x57 h ARG 22 Ca 0.18 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.38 1x57 h ARG 22 Cb -0.03 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1x57 h ARG 22 CO -0.03 -0.42 0.57 1.96 -1.07 0.00 0.00 179.97 180.98 1x57 h GLN 23 N -0.88 0.91 -0.52 0.04 4.20 -0.17 0.11 115.11 118.80 1x57 h GLN 23 Ca -0.08 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1x57 h GLN 23 Cb 0.62 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1x57 h GLN 23 CO 0.12 0.60 -0.04 0.77 -0.67 0.00 0.00 178.83 179.61 1x57 h SER 24 N 0.93 0.93 0.08 1.46 0.02 -0.67 -2.23 113.55 114.08 1x57 h SER 24 Ca 0.46 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1x57 h SER 24 Cb 0.42 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1x57 h SER 24 CO -0.25 1.04 -0.02 0.29 -1.14 0.00 0.00 176.83 176.74 1x57 n LYS 25 N -4.25 1.14 -1.26 3.45 5.02 -0.96 -4.92 118.16 116.38 1x57 n LYS 25 Ca 0.01 -0.36 -0.09 0.00 -2.02 0.00 0.00 58.31 55.85 1x57 n LYS 25 Cb 0.35 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.12 1.00 3.84 0.72 0.00 -0.09 -5.00 105.19 106.78 1x57 n GLY 26 Ca 0.20 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.08 3.58 0.56 0.99 1.43 0.19 -4.25 118.68 119.10 1x57 s LEU 27 Ca 0.00 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 1x57 s LEU 27 Cb 0.00 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.75 1x57 s LEU 27 CO 0.00 -0.68 0.79 0.42 0.23 0.00 0.00 176.35 177.11 1x57 s THR 28 N -2.64 2.64 0.28 5.49 -4.23 -1.26 -4.39 115.64 111.53 1x57 s THR 28 Ca 0.59 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1x57 s THR 28 Cb -0.11 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.99 1x57 s THR 28 CO 0.34 0.00 1.94 1.56 -0.54 0.00 0.00 174.62 177.92 1x57 h GLN 29 N 0.03 1.12 -0.86 3.99 4.20 -1.98 -2.13 115.11 119.48 1x57 h GLN 29 Ca -0.42 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.21 1x57 h GLN 29 Cb 1.30 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 1x57 h GLN 29 CO 0.52 0.77 0.57 0.87 -0.67 0.00 0.00 178.83 180.89 1x57 h LYS 30 N 1.15 1.14 -0.29 1.46 1.79 -1.95 -1.04 116.57 118.84 1x57 h LYS 30 Ca 0.30 -0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1x57 h LYS 30 Cb -0.09 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.29 1x57 h LYS 30 CO -0.06 0.76 -0.22 -0.44 -1.08 0.00 0.00 179.45 178.40 1x57 h ASP 31 N 1.17 0.54 -0.02 0.86 3.32 -1.84 -1.68 116.42 118.78 1x57 h ASP 31 Ca 0.32 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1x57 h ASP 31 Cb -0.13 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1x57 h ASP 31 CO -0.07 0.76 0.00 0.25 -1.72 0.00 0.00 179.24 178.47 1x57 h LEU 32 N 0.48 0.02 -0.71 1.55 7.12 -0.69 0.13 115.31 123.22 1x57 h LEU 32 Ca 0.07 -0.26 0.13 0.00 0.13 0.00 0.00 57.88 57.95 1x57 h LEU 32 Cb 0.65 -0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 40.68 1x57 h LEU 32 CO 0.05 0.28 0.27 0.00 -0.13 0.00 0.00 178.44 178.90 1x57 h ALA 33 N 0.74 0.97 0.19 1.25 0.00 -1.10 -1.73 119.26 119.59 1x57 h ALA 33 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1x57 h ALA 33 Cb 0.27 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x57 h ALA 33 CO 0.00 -0.22 -0.09 1.15 0.00 0.00 0.00 179.25 180.09 1x57 h THR 34 N 0.42 0.87 -0.01 0.00 2.02 -1.09 0.71 112.91 115.82 1x57 h THR 34 Ca 0.38 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1x57 h THR 34 Cb 0.56 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1x57 h THR 34 CO -0.39 0.07 0.07 0.11 0.37 0.00 0.00 175.52 175.75 1x57 h LYS 35 N -0.40 0.00 -0.05 6.66 1.57 -0.12 -1.09 116.57 123.13 1x57 h LYS 35 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x57 h LYS 35 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1x57 h LYS 35 CO 0.04 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.36 1x57 n ILE 36 N -3.16 0.27 -3.72 1.86 -5.35 -0.80 -4.81 119.36 103.65 1x57 n ILE 36 Ca -0.03 -0.63 -0.27 0.00 -0.27 0.00 0.00 62.75 61.55 1x57 n ILE 36 Cb 0.14 0.96 0.03 0.00 -1.74 0.00 0.00 39.64 39.02 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 0.25 -3.38 -3.07 7.28 5.15 -0.06 -5.04 115.26 116.39 1x57 n ASN 37 Ca 0.04 -0.96 -0.16 0.00 -0.60 0.00 0.00 54.58 52.90 1x57 n ASN 37 Cb 0.20 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 35.85 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1x57 n GLU 38 N -4.20 0.85 -3.28 1.20 -0.58 0.04 -5.02 120.64 109.66 1x57 n GLU 38 Ca -0.18 -2.09 -0.34 0.00 -0.42 0.00 0.00 57.16 54.12 1x57 n GLU 38 Cb 0.63 1.00 -0.06 0.00 -0.57 0.00 0.00 31.44 32.44 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x57 s LYS 39 N -2.97 4.01 0.41 3.49 3.01 -1.26 -4.49 119.74 121.94 1x57 s LYS 39 Ca 0.09 0.56 0.29 0.00 -1.01 0.00 0.00 55.97 55.90 1x57 s LYS 39 Cb 0.00 -2.79 1.35 0.00 -1.01 0.00 0.00 37.83 35.38 1x57 s LYS 39 CO 0.07 0.38 1.87 -1.00 0.51 0.00 0.00 175.35 177.18 1x57 h PRO 40 N 3.14 0.00 -0.62 -1.68 0.13 -1.91 -2.36 132.00 128.70 1x57 h PRO 40 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1x57 h PRO 40 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x57 h PRO 40 CO 0.66 0.00 0.34 0.37 -0.23 0.00 0.00 178.00 179.14 1x57 h GLN 41 N 0.00 0.86 -0.20 0.86 5.75 -1.95 -2.42 115.11 118.01 1x57 h GLN 41 Ca 0.00 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1x57 h GLN 41 Cb 0.27 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1x57 h GLN 41 CO 0.00 0.65 -0.07 -0.39 -2.65 0.00 0.00 178.83 176.37 1x57 h VAL 42 N 0.84 1.17 -0.28 2.39 -1.51 -1.84 -2.10 116.25 114.92 1x57 h VAL 42 Ca 0.22 -0.70 -0.02 0.00 -1.23 0.00 0.00 66.70 64.97 1x57 h VAL 42 Cb 0.04 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1x57 h VAL 42 CO -0.04 0.23 0.11 0.40 -1.23 0.00 0.00 177.57 177.04 1x57 h ILE 43 N 0.30 1.18 -1.00 7.19 1.08 -1.57 0.23 117.51 124.91 1x57 h ILE 43 Ca 0.06 -0.54 0.13 0.00 -0.39 0.00 0.00 64.86 64.12 1x57 h ILE 43 Cb 0.31 1.01 -0.09 0.00 -3.07 0.00 0.00 36.82 34.99 1x57 h ILE 43 CO 0.01 0.18 0.63 0.00 -0.69 0.00 0.00 178.15 178.28 1x57 h ALA 44 N 0.95 1.52 0.00 1.87 0.00 -0.92 -1.25 119.26 121.44 1x57 h ALA 44 Ca 0.09 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1x57 h ALA 44 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1x57 h ALA 44 CO -0.01 0.19 -0.83 -0.44 0.00 0.00 0.00 179.25 178.16 1x57 h ASP 45 N 0.96 0.00 0.20 0.00 3.32 -0.90 -1.72 116.42 118.29 1x57 h ASP 45 Ca 0.51 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 1x57 h ASP 45 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1x57 h ASP 45 CO -0.28 0.83 -0.10 1.88 -1.72 0.00 0.00 179.24 179.86 1x57 h TYR 46 N 0.00 -0.25 -0.73 4.55 0.05 0.04 0.14 116.97 120.77 1x57 h TYR 46 Ca -0.01 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1x57 h TYR 46 Cb 1.63 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 39.41 1x57 h TYR 46 CO 0.00 -0.04 0.48 0.93 -1.05 0.00 0.00 178.16 178.48 1x57 h GLU 47 N -0.41 0.97 -0.44 4.88 3.07 -1.29 -3.02 114.58 118.33 1x57 h GLU 47 Ca -0.03 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.67 1x57 h GLU 47 Cb 0.32 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1x57 h GLU 47 CO 0.04 0.64 -0.14 1.03 -1.40 0.00 0.00 179.01 179.19 1x57 h SER 48 N 1.00 0.82 0.00 1.42 0.87 -1.26 -3.41 113.55 112.99 1x57 h SER 48 Ca 0.27 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x57 h SER 48 Cb -0.11 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1x57 h SER 48 CO -0.06 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 177.83 1x57 n GLY 49 N -0.35 1.05 0.00 5.77 0.00 -0.59 -4.67 105.19 106.41 1x57 n GLY 49 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1x57 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 n ARG 50 N -0.41 0.81 -1.76 1.61 1.74 -0.06 -4.95 116.66 113.64 1x57 n ARG 50 Ca 0.00 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 1x57 n ARG 50 Cb 0.00 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 s ALA 51 N -2.97 2.37 -0.32 7.54 0.00 -0.71 -4.97 121.76 122.70 1x57 s ALA 51 Ca 0.01 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 1x57 s ALA 51 Cb 0.13 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1x57 s ALA 51 CO 0.76 -1.48 1.10 0.42 0.00 0.00 0.00 175.76 176.56 1x57 s ILE 52 N -1.73 4.47 0.35 0.00 -1.09 -1.26 -4.91 121.20 117.02 1x57 s ILE 52 Ca 0.77 1.69 -0.27 0.00 -2.23 0.00 0.00 60.65 60.60 1x57 s ILE 52 Cb -0.31 -4.40 -0.09 0.00 -1.58 0.00 0.00 42.46 36.08 1x57 s ILE 52 CO 0.39 -0.49 1.18 -2.16 -1.23 0.00 0.00 174.94 172.63 1x57 s PRO 53 N 3.72 4.30 0.04 2.79 0.04 -1.26 -5.05 135.00 139.58 1x57 s PRO 53 Ca 0.47 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1x57 s PRO 53 Cb -0.12 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 1x57 s PRO 53 CO 0.16 -0.13 -0.07 1.21 0.04 0.00 0.00 177.00 178.21 1x57 s ASN 54 N -0.91 0.81 0.25 6.66 2.47 -1.26 -5.05 114.94 117.92 1x57 s ASN 54 Ca 0.51 -0.56 -0.03 0.00 0.42 0.00 0.00 52.86 53.20 1x57 s ASN 54 Cb -0.33 0.04 0.43 0.00 -1.45 0.00 0.00 41.25 39.94 1x57 s ASN 54 CO 0.43 -0.22 1.82 -1.13 -3.72 0.00 0.00 177.10 174.28 1x57 h ASN 55 N 4.46 0.77 0.31 -4.21 -0.73 -1.98 0.13 115.58 114.33 1x57 h ASN 55 Ca -0.35 0.04 -0.00 0.00 1.87 0.00 0.00 56.30 57.86 1x57 h ASN 55 Cb 1.20 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.65 1x57 h ASN 55 CO 0.41 0.44 -0.52 1.56 -0.37 0.00 0.00 177.43 178.95 1x57 h GLN 56 N 0.88 -0.85 0.08 6.67 4.20 -1.99 -0.27 115.11 123.82 1x57 h GLN 56 Ca 0.42 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 1x57 h GLN 56 Cb 0.37 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1x57 h GLN 56 CO -0.24 -0.57 -0.04 0.28 -0.67 0.00 0.00 178.83 177.59 1x57 h VAL 57 N -0.88 1.07 -0.77 -0.54 2.07 -1.72 -2.65 116.25 112.83 1x57 h VAL 57 Ca -0.03 -0.54 0.15 0.00 0.82 0.00 0.00 66.70 67.10 1x57 h VAL 57 Cb 0.82 1.41 -0.14 0.00 -1.52 0.00 0.00 31.29 31.86 1x57 h VAL 57 CO -0.18 0.13 -0.22 -0.07 0.02 0.00 0.00 177.57 177.25 1x57 h LEU 58 N -0.36 -0.81 -1.26 2.57 3.38 -0.76 0.12 115.31 118.19 1x57 h LEU 58 Ca -0.01 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1x57 h LEU 58 Cb 0.30 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1x57 h LEU 58 CO 0.02 -0.26 0.26 1.23 0.09 0.00 0.00 178.44 179.77 1x57 h GLY 59 N -0.02 0.82 0.88 0.83 0.00 -0.87 -0.17 103.07 104.54 1x57 h GLY 59 Ca 0.36 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1x57 h GLY 59 CO -0.80 0.36 -0.15 0.50 0.00 0.00 0.00 176.54 176.45 1x57 h LYS 60 N 0.77 0.57 -0.62 4.80 1.57 -0.52 -2.89 116.57 120.25 1x57 h LYS 60 Ca 0.19 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1x57 h LYS 60 Cb 0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1x57 h LYS 60 CO -0.02 0.83 0.41 0.82 -0.57 0.00 0.00 179.45 180.92 1x57 h ILE 61 N 0.30 1.10 -0.62 1.86 2.04 -0.36 -1.26 117.51 120.58 1x57 h ILE 61 Ca 0.06 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1x57 h ILE 61 Cb 0.68 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1x57 h ILE 61 CO 0.04 0.14 0.35 -0.33 0.00 0.00 0.00 178.15 178.35 1x57 h GLU 62 N 0.75 0.64 0.00 2.37 5.08 -0.83 -1.17 114.58 121.42 1x57 h GLU 62 Ca 0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1x57 h GLU 62 Cb 0.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1x57 h GLU 62 CO -0.06 0.43 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 1x57 n ARG 63 N -4.79 0.18 -0.03 2.33 1.74 -0.57 0.14 116.66 115.66 1x57 n ARG 63 Ca 0.07 0.33 -0.17 0.00 -0.77 0.00 0.00 57.85 57.31 1x57 n ARG 63 Cb 0.14 -1.79 -0.08 0.00 -1.02 0.00 0.00 32.46 29.71 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 2.40 0.26 0.00 7.54 0.00 -0.22 -3.38 119.26 125.86 1x57 h ALA 64 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1x57 h ALA 64 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x57 h ALA 64 CO 0.00 0.55 -0.84 0.44 0.00 0.00 0.00 179.25 179.40 1x57 n ILE 65 N -4.07 0.00 -2.02 0.00 -5.35 -1.16 -5.00 119.36 101.76 1x57 n ILE 65 Ca -0.08 -0.19 -0.01 0.00 -0.27 0.00 0.00 62.75 62.20 1x57 n ILE 65 Cb 0.68 0.61 -0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 1.89 0.36 3.44 3.28 0.00 0.12 -4.98 105.19 109.30 1x57 n GLY 66 Ca -0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.19 2.57 0.12 0.99 1.43 -1.11 -1.98 118.68 120.51 1x57 s LEU 67 Ca 0.00 -1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 51.66 1x57 s LEU 67 Cb -0.00 -0.80 -0.07 0.00 0.03 0.00 0.00 46.19 45.35 1x57 s LEU 67 CO 0.00 -0.22 1.25 -0.54 0.23 0.00 0.00 176.35 177.08 1x57 s LYS 68 N -3.65 4.42 0.00 1.70 1.02 0.13 -4.27 119.74 119.09 1x57 s LYS 68 Ca 0.29 1.90 0.09 0.00 0.02 0.00 0.00 55.97 58.26 1x57 s LYS 68 Cb 0.01 -3.28 0.21 0.00 -0.52 0.00 0.00 37.83 34.25 1x57 s LYS 68 CO 0.12 -0.25 1.12 1.28 -0.92 0.00 0.00 175.35 176.70 1x57 n LEU 69 N 3.39 2.53 -3.91 3.17 7.99 -1.26 -1.31 117.00 127.60 1x57 n LEU 69 Ca 0.08 -1.80 -0.09 0.00 -0.01 0.00 0.00 56.01 54.19 1x57 n LEU 69 Cb 0.45 -0.15 -0.07 0.00 -0.11 0.00 0.00 43.42 43.53 1x57 n LEU 69 CO 0.57 0.61 -0.10 0.00 -1.51 0.00 0.00 177.39 176.96 1x57 s ARG 70 N -0.95 0.92 0.32 3.23 1.70 -1.26 -4.92 118.95 117.99 1x57 s ARG 70 Ca 0.17 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.37 1x57 s ARG 70 Cb 0.09 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1x57 s ARG 70 CO 0.12 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1x57 n GLY 71 N -0.10 -2.99 0.06 3.88 0.00 -1.26 -4.18 105.19 100.61 1x57 n GLY 71 Ca -0.12 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.71 1x57 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x57 n LYS 72 N -3.20 0.07 0.00 1.61 5.02 -1.26 -1.90 118.16 118.49 1x57 n LYS 72 Ca -0.05 0.47 0.03 0.00 -2.02 0.00 0.00 58.31 56.74 1x57 n LYS 72 Cb 0.35 -1.68 0.19 0.00 -0.02 0.00 0.00 35.03 33.87 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x57 n ASP 73 N -1.82 0.00 -4.58 4.39 9.92 -1.26 -4.94 116.55 118.26 1x57 n ASP 73 Ca 0.01 -0.92 -0.47 0.00 -0.53 0.00 0.00 54.79 52.87 1x57 n ASP 73 Cb 0.08 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 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 -0.68 1.25 0.00 0.53 3.06 -0.80 -1.27 119.36 121.46 1x57 n ILE 74 Ca 0.05 -0.31 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 1x57 n ILE 74 Cb 0.02 -0.90 0.00 0.00 0.54 0.00 0.00 39.64 39.30 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 1.79 2.02 3.80 4.50 0.00 -0.43 -4.97 105.19 111.89 1x57 n GLY 75 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.40 3.73 0.81 1.61 -0.14 -0.39 -4.75 119.74 120.20 1x57 s LYS 76 Ca 0.00 1.38 -0.11 0.00 -1.36 0.00 0.00 55.97 55.88 1x57 s LYS 76 Cb 0.00 -2.08 0.07 0.00 -1.68 0.00 0.00 37.83 34.14 1x57 s LYS 76 CO 0.00 -0.50 1.09 -1.25 -0.76 0.00 0.00 175.35 173.93 1x57 s PRO 77 N -3.29 2.00 -0.42 -1.68 0.04 -1.26 0.22 135.00 130.61 1x57 s PRO 77 Ca 0.68 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 1x57 s PRO 77 Cb -0.17 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x57 s PRO 77 CO 0.22 -1.77 0.30 0.96 0.04 0.00 0.00 177.00 176.75 1x57 s ILE 78 N -2.95 5.06 -0.08 0.56 -4.36 -0.84 -4.55 121.20 114.04 1x57 s ILE 78 Ca 0.61 -0.84 -0.06 0.00 -0.26 0.00 0.00 60.65 60.11 1x57 s ILE 78 Cb -0.17 -3.88 0.02 0.00 1.25 0.00 0.00 42.46 39.68 1x57 s ILE 78 CO 0.56 -0.37 0.13 -0.62 0.24 0.00 0.00 174.94 174.88 1x57 n GLU 79 N 5.12 -4.68 0.00 0.37 -0.58 -1.26 -4.92 120.64 114.70 1x57 n GLU 79 Ca -0.11 3.46 0.00 0.00 -0.42 0.00 0.00 57.16 60.09 1x57 n GLU 79 Cb 0.46 -4.67 0.00 0.00 -0.57 0.00 0.00 31.44 26.65 1x57 n GLU 79 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1x57 n LYS 80 N 1.83 0.00 0.00 3.49 4.01 -1.26 -5.09 118.16 121.13 1x57 n LYS 80 Ca -0.21 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 1x57 n LYS 80 Cb 0.33 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x57 n GLY 81 N 0.00 0.34 3.58 0.72 0.00 -1.26 -4.69 105.19 103.88 1x57 n GLY 81 Ca 0.00 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.44 2.94 0.26 1.61 0.04 -1.26 -4.89 135.00 132.26 1x57 s PRO 82 Ca 0.00 1.30 0.16 0.00 0.04 0.00 0.00 61.00 62.50 1x57 s PRO 82 Cb 0.00 -4.33 0.05 0.00 0.04 0.00 0.00 34.50 30.26 1x57 s PRO 82 CO 0.00 -2.33 1.37 -0.09 0.04 0.00 0.00 177.00 175.99 1x57 h ARG 83 N 14.72 0.00 -7.33 4.56 2.43 -1.99 -3.41 114.38 123.35 1x57 h ARG 83 Ca -0.31 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.37 1x57 h ARG 83 Cb 1.19 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.81 1x57 h ARG 83 CO 1.09 0.45 0.33 0.00 -1.51 0.00 0.00 179.97 180.33 1x57 s ALA 84 N -2.97 3.06 0.29 2.80 0.00 -1.26 -4.99 121.76 118.68 1x57 s ALA 84 Ca 0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 1x57 s ALA 84 Cb 0.08 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1x57 s ALA 84 CO 0.75 -0.95 0.60 -1.59 0.00 0.00 0.00 175.76 174.57 1x57 s LYS 85 N -5.21 1.77 0.21 0.00 -2.85 -1.26 -5.08 119.74 107.33 1x57 s LYS 85 Ca 0.56 -1.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 1x57 s LYS 85 Cb -0.11 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 1x57 s LYS 85 CO 0.50 -0.78 0.12 0.45 0.10 0.00 0.00 175.35 175.74 1x57 s SER 86 N -3.02 0.34 0.00 0.03 0.15 -1.26 -5.18 113.70 104.75 1x57 s SER 86 Ca 0.19 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1x57 s SER 86 Cb -0.03 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1x57 s SER 86 CO 0.10 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1x57 n GLY 87 N -0.30 4.36 2.05 9.45 0.00 -1.26 -4.95 105.19 114.54 1x57 n GLY 87 Ca 0.01 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.43 1x57 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x57 n PRO 88 N -1.87 1.99 -4.03 1.61 -0.04 -1.26 -4.73 135.00 126.68 1x57 n PRO 88 Ca 0.00 -1.19 -0.32 0.00 -0.04 0.00 0.00 63.50 61.95 1x57 n PRO 88 Cb 0.00 -1.94 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 1x57 n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x57 s SER 89 N 1.64 4.66 -0.94 3.54 0.01 -1.26 -5.06 113.70 116.29 1x57 s SER 89 Ca 0.59 -1.82 -0.23 0.00 1.31 0.00 0.00 55.95 55.81 1x57 s SER 89 Cb 0.31 -1.61 0.05 0.00 0.21 0.00 0.00 66.02 64.98 1x57 s SER 89 CO -0.04 -0.30 1.37 -0.94 0.41 0.00 0.00 173.24 173.73 1x57 s SER 90 N 1.02 6.43 0.00 2.44 1.04 -1.26 -5.14 113.70 118.23 1x57 s SER 90 Ca 0.02 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1x57 s SER 90 Cb -0.20 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1x57 s SER 90 CO -0.06 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.24