#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 h SER 2 N 0.00 -0.17 -2.57 1.61 0.02 -2.09 -3.50 113.55 106.84 1x57 h SER 2 Ca 0.00 -0.11 0.23 0.00 -0.84 0.00 0.00 61.79 61.08 1x57 h SER 2 Cb 0.00 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.48 1x57 h SER 2 CO 0.00 0.35 -0.66 -1.20 -1.14 0.00 0.00 176.83 174.18 1x57 n SER 3 N -4.90 -5.42 0.00 3.07 7.64 -1.26 -5.11 113.62 107.64 1x57 n SER 3 Ca -0.04 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1x57 n SER 3 Cb 0.13 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1x57 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 4 N -3.61 -0.95 3.37 0.23 0.00 -1.26 -5.16 105.19 97.81 1x57 n GLY 4 Ca -0.04 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x57 s SER 5 N -4.00 0.04 -0.37 1.61 0.15 -1.26 -5.10 113.70 104.77 1x57 s SER 5 Ca 0.00 -1.02 0.12 0.00 0.70 0.00 0.00 55.95 55.75 1x57 s SER 5 Cb 0.00 0.46 0.42 0.00 -1.71 0.00 0.00 66.02 65.19 1x57 s SER 5 CO 0.00 -0.95 1.25 -1.54 1.20 0.00 0.00 173.24 173.21 1x57 n SER 6 N -0.27 -0.82 0.00 5.45 3.41 -1.26 -5.07 113.62 115.06 1x57 n SER 6 Ca -0.03 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1x57 n SER 6 Cb 0.63 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.53 -0.12 0.29 5.00 0.00 -1.26 -4.89 105.19 103.69 1x57 n GLY 7 Ca -0.01 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.85 1x57 n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x57 h ASP 8 N 0.00 -0.06 -3.48 1.61 1.82 -2.03 -3.48 116.42 110.79 1x57 h ASP 8 Ca 0.00 0.19 0.35 0.00 -0.39 0.00 0.00 57.03 57.18 1x57 h ASP 8 Cb 0.00 0.27 -0.18 0.00 0.68 0.00 0.00 39.33 40.10 1x57 h ASP 8 CO 0.00 -0.13 -1.18 0.54 -1.61 0.00 0.00 179.24 176.86 1x57 n ARG 9 N -5.23 -3.26 -1.63 0.28 1.74 -1.26 -4.91 116.66 102.39 1x57 n ARG 9 Ca 0.18 2.62 -0.31 0.00 -0.77 0.00 0.00 57.85 59.57 1x57 n ARG 9 Cb 0.59 -3.85 0.05 0.00 -1.02 0.00 0.00 32.46 28.23 1x57 n ARG 9 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1x57 s VAL 10 N -4.11 4.08 0.14 1.55 -7.23 -1.26 -5.09 120.40 108.49 1x57 s VAL 10 Ca 0.00 0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 60.84 1x57 s VAL 10 Cb 0.00 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1x57 s VAL 10 CO 0.00 -0.88 0.05 0.42 -0.31 0.00 0.00 175.10 174.38 1x57 s THR 11 N -3.09 0.18 0.53 5.32 -4.23 -1.26 -5.09 115.64 108.01 1x57 s THR 11 Ca 0.58 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1x57 s THR 11 Cb -0.13 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 1x57 s THR 11 CO 0.55 -0.44 1.00 -0.76 -0.54 0.00 0.00 174.62 174.43 1x57 s LEU 12 N -3.07 3.59 0.32 4.79 1.02 -1.26 -4.90 118.68 119.17 1x57 s LEU 12 Ca 0.25 1.62 0.03 0.00 0.02 0.00 0.00 54.13 56.06 1x57 s LEU 12 Cb 0.07 -4.51 0.63 0.00 0.02 0.00 0.00 46.19 42.40 1x57 s LEU 12 CO 0.03 -0.72 1.89 -0.33 0.02 0.00 0.00 176.35 177.24 1x57 h GLU 13 N 0.79 0.88 0.52 1.70 5.08 -1.98 -0.40 114.58 121.17 1x57 h GLU 13 Ca -0.47 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1x57 h GLU 13 Cb 1.19 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1x57 h GLU 13 CO 0.61 0.58 -0.42 0.28 -1.00 0.00 0.00 179.01 179.06 1x57 h VAL 14 N 0.91 0.00 -0.88 3.13 2.07 -1.94 0.54 116.25 120.08 1x57 h VAL 14 Ca 0.42 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.02 1x57 h VAL 14 Cb 0.39 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1x57 h VAL 14 CO -0.18 0.00 0.57 1.23 0.02 0.00 0.00 177.57 179.21 1x57 h GLY 15 N -0.92 1.26 0.94 2.17 0.00 -1.53 0.55 103.07 105.55 1x57 h GLY 15 Ca -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1x57 h GLY 15 CO 0.00 0.24 -0.29 1.70 0.00 0.00 0.00 176.54 178.20 1x57 h LYS 16 N 0.92 -0.78 -0.79 4.80 1.63 -0.85 -0.17 116.57 121.33 1x57 h LYS 16 Ca 0.39 0.05 0.01 0.00 -0.85 0.00 0.00 60.65 60.25 1x57 h LYS 16 Cb 0.32 0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1x57 h LYS 16 CO -0.16 -0.49 0.52 0.28 -3.45 0.00 0.00 179.45 176.14 1x57 h VAL 17 N -0.88 1.21 0.79 2.00 2.07 -0.48 -0.35 116.25 120.60 1x57 h VAL 17 Ca -0.08 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1x57 h VAL 17 Cb 0.65 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1x57 h VAL 17 CO 0.14 0.20 -0.38 0.40 0.02 0.00 0.00 177.57 177.95 1x57 h ILE 18 N 1.07 0.23 -0.29 4.57 2.04 -0.78 0.15 117.51 124.49 1x57 h ILE 18 Ca 0.29 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 1x57 h ILE 18 Cb -0.11 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1x57 h ILE 18 CO -0.06 0.00 0.02 -0.61 0.00 0.00 0.00 178.15 177.49 1x57 h GLN 19 N -1.06 0.10 0.64 2.37 4.15 -0.63 -0.10 115.11 120.59 1x57 h GLN 19 Ca -0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.28 1x57 h GLN 19 Cb 0.81 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1x57 h GLN 19 CO 0.18 0.07 -0.48 1.96 -1.93 0.00 0.00 178.83 178.63 1x57 h GLN 20 N 0.11 -1.03 -0.06 1.69 1.08 -1.04 -1.02 115.11 114.84 1x57 h GLN 20 Ca 0.14 0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.36 1x57 h GLN 20 Cb 0.18 0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1x57 h GLN 20 CO -0.22 -0.69 -0.18 0.78 -0.95 0.00 0.00 178.83 177.56 1x57 h GLY 21 N -1.07 0.10 0.31 3.46 0.00 -0.33 0.45 103.07 105.99 1x57 h GLY 21 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1x57 h GLY 21 CO 0.03 0.06 -0.22 3.21 0.00 0.00 0.00 176.54 179.63 1x57 h ARG 22 N 0.09 -0.48 0.00 4.80 3.08 -0.99 -3.21 114.38 117.67 1x57 h ARG 22 Ca 0.02 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1x57 h ARG 22 Cb 0.38 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1x57 h ARG 22 CO 0.03 -0.32 -0.07 1.96 -1.07 0.00 0.00 179.97 180.49 1x57 h GLN 23 N -0.50 0.00 0.00 0.04 1.08 -0.15 0.40 115.11 115.98 1x57 h GLN 23 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1x57 h GLN 23 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1x57 h GLN 23 CO 0.03 0.07 0.00 0.43 -0.95 0.00 0.00 178.83 178.41 1x57 n SER 24 N -4.43 0.00 -0.06 1.46 7.64 0.15 -1.88 113.62 116.50 1x57 n SER 24 Ca -0.03 -0.10 0.01 0.00 1.01 0.00 0.00 58.87 59.77 1x57 n SER 24 Cb 0.15 -0.24 0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.24 1.59 -1.32 1.43 5.02 -0.35 -5.01 118.16 118.29 1x57 n LYS 25 Ca 0.10 -1.31 -0.11 0.00 -2.02 0.00 0.00 58.31 54.97 1x57 n LYS 25 Cb 0.14 -0.88 -0.05 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.44 1.17 3.83 0.72 0.00 -0.79 -4.97 105.19 104.72 1x57 n GLY 26 Ca 0.02 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.49 4.34 0.70 0.99 1.43 -0.01 -4.94 118.68 118.69 1x57 s LEU 27 Ca 0.00 1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.22 1x57 s LEU 27 Cb 0.00 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 42.89 1x57 s LEU 27 CO 0.00 0.08 1.03 0.42 0.23 0.00 0.00 176.35 178.11 1x57 s THR 28 N -1.49 2.54 0.20 5.49 -4.23 -1.26 -4.18 115.64 112.72 1x57 s THR 28 Ca 0.40 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1x57 s THR 28 Cb -0.16 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 70.71 1x57 s THR 28 CO 0.20 -0.12 1.85 1.56 -0.54 0.00 0.00 174.62 177.56 1x57 h GLN 29 N -0.62 0.83 -0.74 3.99 4.20 -1.98 -2.56 115.11 118.24 1x57 h GLN 29 Ca -0.45 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.29 1x57 h GLN 29 Cb 1.30 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.85 1x57 h GLN 29 CO 0.62 0.55 0.49 0.87 -0.67 0.00 0.00 178.83 180.68 1x57 h LYS 30 N 0.86 0.71 -0.63 1.46 1.57 -1.94 -0.70 116.57 117.90 1x57 h LYS 30 Ca 0.27 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1x57 h LYS 30 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1x57 h LYS 30 CO -0.10 0.47 0.15 -0.44 -0.57 0.00 0.00 179.45 178.97 1x57 h ASP 31 N 0.74 0.92 -0.09 0.86 3.32 -1.84 -1.78 116.42 118.55 1x57 h ASP 31 Ca 0.33 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1x57 h ASP 31 Cb 0.33 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1x57 h ASP 31 CO -0.11 0.89 0.01 0.25 -1.72 0.00 0.00 179.24 178.55 1x57 h LEU 32 N 0.94 0.14 -0.16 1.55 7.12 -0.94 -0.24 115.31 123.71 1x57 h LEU 32 Ca 0.20 -0.28 0.05 0.00 0.13 0.00 0.00 57.88 57.98 1x57 h LEU 32 Cb 0.33 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.35 1x57 h LEU 32 CO -0.00 0.39 -0.39 0.00 -0.13 0.00 0.00 178.44 178.31 1x57 h ALA 33 N 0.76 -0.50 -0.60 1.25 0.00 -1.07 -0.86 119.26 118.23 1x57 h ALA 33 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x57 h ALA 33 Cb 0.31 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1x57 h ALA 33 CO 0.00 -0.88 0.39 1.15 0.00 0.00 0.00 179.25 179.91 1x57 h THR 34 N -0.45 1.13 -0.37 0.00 2.02 -1.29 0.25 112.91 114.20 1x57 h THR 34 Ca 0.09 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1x57 h THR 34 Cb 0.60 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1x57 h THR 34 CO -0.40 0.14 0.25 0.11 0.37 0.00 0.00 175.52 175.99 1x57 h LYS 35 N 0.79 0.35 -0.11 6.66 1.57 -0.04 -1.58 116.57 124.22 1x57 h LYS 35 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1x57 h LYS 35 Cb -0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1x57 h LYS 35 CO -0.06 0.23 0.00 0.44 -0.57 0.00 0.00 179.45 179.49 1x57 n ILE 36 N -4.48 0.14 -3.80 1.86 -5.35 -0.43 -4.83 119.36 102.48 1x57 n ILE 36 Ca 0.04 -0.57 -0.26 0.00 -0.27 0.00 0.00 62.75 61.69 1x57 n ILE 36 Cb 0.17 1.28 0.03 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.15 -3.35 -4.84 7.28 5.15 0.63 -5.04 115.26 116.23 1x57 n ASN 37 Ca 0.13 -0.78 -0.29 0.00 -0.60 0.00 0.00 54.58 53.05 1x57 n ASN 37 Cb 0.51 -4.05 -0.04 0.00 -0.53 0.00 0.00 39.78 35.67 1x57 n ASN 37 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x57 s GLU 38 N -6.32 2.23 0.43 1.20 0.41 0.23 -4.97 118.70 111.92 1x57 s GLU 38 Ca 0.37 -2.14 -0.22 0.00 -0.41 0.00 0.00 54.97 52.57 1x57 s GLU 38 Cb -0.18 -1.89 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 1x57 s GLU 38 CO 0.81 -0.49 1.03 0.15 -0.49 0.00 0.00 175.26 176.27 1x57 s LYS 39 N -4.11 4.05 0.00 1.61 -0.14 -1.26 -4.26 119.74 115.63 1x57 s LYS 39 Ca 0.24 1.40 0.13 0.00 -1.36 0.00 0.00 55.97 56.38 1x57 s LYS 39 Cb -0.00 -2.33 0.63 0.00 -1.68 0.00 0.00 37.83 34.45 1x57 s LYS 39 CO 0.15 -0.22 1.38 -0.35 -0.76 0.00 0.00 175.35 175.55 1x57 n PRO 40 N -0.46 0.11 0.22 -1.68 -0.04 -1.26 -2.56 135.00 129.32 1x57 n PRO 40 Ca 0.07 0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 1x57 n PRO 40 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.68 0.00 0.54 5.75 -1.96 -2.73 115.11 116.03 1x57 h GLN 41 Ca 0.00 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1x57 h GLN 41 Cb 0.17 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 1x57 h GLN 41 CO 0.00 -0.45 -0.12 -0.39 -2.65 0.00 0.00 178.83 175.22 1x57 h VAL 42 N -0.70 0.38 -0.28 2.39 -1.51 -1.90 -0.73 116.25 113.89 1x57 h VAL 42 Ca -0.05 -0.68 -0.01 0.00 -1.23 0.00 0.00 66.70 64.73 1x57 h VAL 42 Cb 0.60 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.24 1x57 h VAL 42 CO -0.02 0.11 0.15 0.40 -1.23 0.00 0.00 177.57 176.99 1x57 h ILE 43 N 0.00 1.13 0.00 7.19 1.08 -1.63 0.13 117.51 125.40 1x57 h ILE 43 Ca -0.00 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 1x57 h ILE 43 Cb 0.49 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1x57 h ILE 43 CO 0.02 0.13 -0.19 0.00 -0.69 0.00 0.00 178.15 177.41 1x57 h ALA 44 N 1.03 1.40 0.22 1.87 0.00 -0.83 -2.66 119.26 120.29 1x57 h ALA 44 Ca 0.10 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.51 1x57 h ALA 44 Cb 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.86 1x57 h ALA 44 CO -0.02 0.24 -1.42 -0.44 0.00 0.00 0.00 179.25 177.61 1x57 h ASP 45 N 0.00 0.79 -1.00 0.00 3.32 -1.08 -3.32 116.42 115.12 1x57 h ASP 45 Ca -0.00 -0.83 0.11 0.00 0.02 0.00 0.00 57.03 56.33 1x57 h ASP 45 Cb 0.41 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 1x57 h ASP 45 CO 0.02 1.64 0.63 1.88 -1.72 0.00 0.00 179.24 181.70 1x57 h TYR 46 N 0.15 1.14 -0.93 4.55 0.05 -0.46 -0.62 116.97 120.85 1x57 h TYR 46 Ca -0.23 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 1x57 h TYR 46 Cb 2.11 -0.36 -0.04 0.00 1.01 0.00 0.00 36.73 39.45 1x57 h TYR 46 CO 0.12 0.47 0.54 0.93 -1.05 0.00 0.00 178.16 179.17 1x57 h GLU 47 N 1.01 1.27 0.00 4.88 5.08 -1.58 -1.80 114.58 123.45 1x57 h GLU 47 Ca 0.48 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.63 1x57 h GLU 47 Cb 0.44 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x57 h GLU 47 CO -0.25 0.90 -0.47 0.77 -1.00 0.00 0.00 179.01 178.97 1x57 h SER 48 N 1.29 0.00 0.00 1.42 0.02 -1.61 -3.39 113.55 111.27 1x57 h SER 48 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1x57 h SER 48 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1x57 h SER 48 CO -0.06 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1x57 n GLY 49 N 1.21 0.78 0.27 -3.77 0.00 -0.36 -4.69 105.19 98.63 1x57 n GLY 49 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 3.34 0.79 -6.27 1.61 3.08 -1.50 -3.38 114.38 112.04 1x57 h ARG 50 Ca 0.00 -0.30 -0.56 0.00 0.07 0.00 0.00 59.98 59.18 1x57 h ARG 50 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1x57 h ARG 50 CO 0.00 0.92 1.15 0.00 -1.07 0.00 0.00 179.97 180.97 1x57 s ALA 51 N -4.66 3.27 -0.16 0.04 0.00 -1.18 -4.97 121.76 114.10 1x57 s ALA 51 Ca -0.09 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1x57 s ALA 51 Cb 0.13 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 1x57 s ALA 51 CO 0.83 -1.95 1.55 0.42 0.00 0.00 0.00 175.76 176.61 1x57 s ILE 52 N 5.28 3.78 0.50 0.00 -1.09 -1.26 -4.68 121.20 123.73 1x57 s ILE 52 Ca 0.74 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.91 1x57 s ILE 52 Cb -0.26 -3.70 -0.08 0.00 -1.58 0.00 0.00 42.46 36.84 1x57 s ILE 52 CO 0.30 -0.20 0.96 -2.16 -1.23 0.00 0.00 174.94 172.61 1x57 s PRO 53 N 4.25 3.93 0.13 2.79 0.04 -1.26 -5.09 135.00 139.79 1x57 s PRO 53 Ca 0.68 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.69 1x57 s PRO 53 Cb -0.27 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1x57 s PRO 53 CO 0.26 -0.24 -0.16 1.21 0.04 0.00 0.00 177.00 178.11 1x57 s ASN 54 N -3.08 2.27 0.43 6.66 2.47 -1.26 -5.02 114.94 117.42 1x57 s ASN 54 Ca 0.58 -0.80 0.11 0.00 0.42 0.00 0.00 52.86 53.17 1x57 s ASN 54 Cb -0.10 -0.11 0.94 0.00 -1.45 0.00 0.00 41.25 40.54 1x57 s ASN 54 CO 0.31 -0.08 2.02 0.78 -3.72 0.00 0.00 177.10 176.41 1x57 h ASN 55 N 3.55 0.21 0.59 -4.21 2.35 -1.98 0.59 115.58 116.67 1x57 h ASN 55 Ca -0.41 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 1x57 h ASN 55 Cb 1.20 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 1x57 h ASN 55 CO 0.49 0.26 -0.44 -0.61 -1.65 0.00 0.00 177.43 175.48 1x57 h GLN 56 N 0.23 -0.95 -0.07 0.81 4.15 -1.98 0.63 115.11 117.93 1x57 h GLN 56 Ca 0.05 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1x57 h GLN 56 Cb 0.17 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1x57 h GLN 56 CO 0.00 -0.63 0.00 0.28 -1.93 0.00 0.00 178.83 176.55 1x57 h VAL 57 N -0.98 1.25 -0.79 2.39 2.07 -1.86 -1.72 116.25 116.60 1x57 h VAL 57 Ca -0.08 -0.77 0.18 0.00 0.82 0.00 0.00 66.70 66.85 1x57 h VAL 57 Cb 0.81 1.64 -0.14 0.00 -1.52 0.00 0.00 31.29 32.08 1x57 h VAL 57 CO 0.03 0.21 -0.07 -0.07 0.02 0.00 0.00 177.57 177.69 1x57 h LEU 58 N -0.17 -0.50 -0.44 2.57 3.38 -0.96 0.83 115.31 120.02 1x57 h LEU 58 Ca 0.02 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.27 1x57 h LEU 58 Cb 0.33 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1x57 h LEU 58 CO 0.00 -0.23 0.12 1.23 0.09 0.00 0.00 178.44 179.65 1x57 h GLY 59 N 0.05 0.55 1.01 0.83 0.00 -0.33 0.15 103.07 105.33 1x57 h GLY 59 Ca 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1x57 h GLY 59 CO -0.75 -0.02 0.39 0.50 0.00 0.00 0.00 176.54 176.66 1x57 h LYS 60 N 0.26 1.02 -0.36 4.80 1.57 -0.11 -1.82 116.57 121.93 1x57 h LYS 60 Ca 0.21 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1x57 h LYS 60 Cb 0.24 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1x57 h LYS 60 CO -0.25 0.76 0.03 0.82 -0.57 0.00 0.00 179.45 180.24 1x57 h ILE 61 N 1.00 1.19 -0.57 1.86 2.04 -0.15 0.19 117.51 123.08 1x57 h ILE 61 Ca 0.25 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1x57 h ILE 61 Cb 0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1x57 h ILE 61 CO -0.04 0.26 0.29 -0.33 0.00 0.00 0.00 178.15 178.33 1x57 h GLU 62 N 0.53 0.81 -0.92 2.37 5.08 -0.07 -1.39 114.58 120.99 1x57 h GLU 62 Ca 0.12 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1x57 h GLU 62 Cb 0.30 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1x57 h GLU 62 CO 0.01 0.65 0.60 0.00 -1.00 0.00 0.00 179.01 179.27 1x57 h ARG 63 N 0.77 1.15 0.50 2.33 3.08 -0.62 0.30 114.38 121.90 1x57 h ARG 63 Ca 0.20 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1x57 h ARG 63 Cb 0.09 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1x57 h ARG 63 CO -0.03 0.76 -0.24 0.00 -1.07 0.00 0.00 179.97 179.40 1x57 h ALA 64 N 1.45 -0.67 0.00 0.04 0.00 -0.03 -3.29 119.26 116.76 1x57 h ALA 64 Ca 0.35 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1x57 h ALA 64 Cb -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1x57 h ALA 64 CO -0.10 -0.83 -1.53 0.44 0.00 0.00 0.00 179.25 177.23 1x57 n ILE 65 N -5.34 1.23 -1.48 0.00 -5.35 -0.62 -4.99 119.36 102.81 1x57 n ILE 65 Ca -0.12 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1x57 n ILE 65 Cb 0.30 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 1.44 0.63 3.27 3.28 0.00 0.11 -4.98 105.19 108.93 1x57 n GLY 66 Ca -0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 2.10 0.34 0.99 1.43 -1.19 -3.06 118.68 119.29 1x57 s LEU 67 Ca 0.00 -1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 51.62 1x57 s LEU 67 Cb 0.00 -0.12 -0.10 0.00 0.03 0.00 0.00 46.19 46.01 1x57 s LEU 67 CO 0.00 -0.56 1.23 -0.54 0.23 0.00 0.00 176.35 176.71 1x57 s LYS 68 N -3.91 4.34 0.00 1.70 1.02 0.76 -4.30 119.74 119.35 1x57 s LYS 68 Ca 0.26 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.29 1x57 s LYS 68 Cb 0.06 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1x57 s LYS 68 CO 0.06 -0.13 0.91 1.28 -0.92 0.00 0.00 175.35 176.55 1x57 n LEU 69 N 0.71 1.83 -4.16 3.17 7.99 -1.26 -0.99 117.00 124.29 1x57 n LEU 69 Ca 0.01 -1.80 -0.14 0.00 -0.01 0.00 0.00 56.01 54.06 1x57 n LEU 69 Cb 0.44 -0.01 -0.11 0.00 -0.11 0.00 0.00 43.42 43.63 1x57 n LEU 69 CO 0.56 0.46 -0.41 -0.13 -1.51 0.00 0.00 177.39 176.35 1x57 s ARG 70 N -0.81 0.81 0.31 3.23 0.52 -1.26 -4.87 118.95 116.89 1x57 s ARG 70 Ca 0.01 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1x57 s ARG 70 Cb 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 34.95 34.98 1x57 s ARG 70 CO 0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1x57 n GLY 71 N 0.63 -2.16 0.19 -3.53 0.00 -1.26 -4.04 105.19 95.02 1x57 n GLY 71 Ca -0.17 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.01 0.00 -0.51 1.61 1.57 -2.02 -2.89 116.57 113.33 1x57 h LYS 72 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x57 h LYS 72 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1x57 h LYS 72 CO 0.02 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.65 1x57 n ASP 73 N -2.58 0.51 -4.63 0.86 8.00 -1.26 -4.93 116.55 112.51 1x57 n ASP 73 Ca 0.01 -1.68 -0.44 0.00 0.71 0.00 0.00 54.79 53.39 1x57 n ASP 73 Cb 0.24 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x57 n ILE 74 N -0.15 1.90 -0.19 0.53 3.06 -1.09 -1.71 119.36 121.71 1x57 n ILE 74 Ca 0.00 -0.48 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 1x57 n ILE 74 Cb 0.13 -1.21 0.00 0.00 0.54 0.00 0.00 39.64 39.09 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 1.14 2.38 3.79 4.50 0.00 -0.16 -4.94 105.19 111.91 1x57 n GLY 75 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.02 3.17 1.07 1.61 -0.14 -0.69 -4.74 119.74 120.00 1x57 s LYS 76 Ca 0.00 1.29 -0.13 0.00 -1.36 0.00 0.00 55.97 55.77 1x57 s LYS 76 Cb 0.00 -2.01 0.23 0.00 -1.68 0.00 0.00 37.83 34.37 1x57 s LYS 76 CO 0.00 -0.94 1.08 -1.25 -0.76 0.00 0.00 175.35 173.47 1x57 s PRO 77 N -4.01 -0.16 0.33 -1.68 0.04 -1.26 -0.17 135.00 128.09 1x57 s PRO 77 Ca 0.65 0.50 0.08 0.00 0.04 0.00 0.00 61.00 62.27 1x57 s PRO 77 Cb -0.18 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1x57 s PRO 77 CO 0.37 -3.13 0.20 0.96 0.04 0.00 0.00 177.00 175.45 1x57 s ILE 78 N -2.85 3.36 0.18 0.56 -4.36 -1.17 -4.37 121.20 112.55 1x57 s ILE 78 Ca 0.67 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 59.20 1x57 s ILE 78 Cb -0.19 -3.09 -0.08 0.00 1.25 0.00 0.00 42.46 40.35 1x57 s ILE 78 CO 0.59 -0.20 1.19 -1.83 0.24 0.00 0.00 174.94 174.94 1x57 s GLU 79 N -3.90 4.49 0.10 0.37 -1.05 -1.26 -4.97 118.70 112.49 1x57 s GLU 79 Ca 0.38 1.87 -0.15 0.00 -0.15 0.00 0.00 54.97 56.92 1x57 s GLU 79 Cb -0.04 -3.24 0.03 0.00 -0.44 0.00 0.00 34.13 30.43 1x57 s GLU 79 CO 0.24 -0.08 0.37 0.15 0.95 0.00 0.00 175.26 176.88 1x57 s LYS 80 N -0.24 1.00 1.11 -4.83 1.02 -1.26 -5.06 119.74 111.47 1x57 s LYS 80 Ca 0.53 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1x57 s LYS 80 Cb -0.32 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1x57 s LYS 80 CO 0.37 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1x57 n GLY 81 N -0.03 2.08 3.57 -3.33 0.00 -1.26 -4.30 105.19 101.92 1x57 n GLY 81 Ca -0.16 0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.96 0.00 1.61 0.04 -1.26 -4.60 135.00 133.75 1x57 s PRO 82 Ca 0.00 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1x57 s PRO 82 Cb 0.00 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1x57 s PRO 82 CO 0.00 -2.33 0.00 -2.13 0.04 0.00 0.00 177.00 172.58 1x57 n ARG 83 N 8.83 0.00 0.15 4.56 0.63 -1.26 -5.12 116.66 124.45 1x57 n ARG 83 Ca 0.20 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1x57 n ARG 83 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x57 n ALA 84 N 2.24 2.31 -1.39 5.13 0.00 -1.26 -4.24 120.51 123.30 1x57 n ALA 84 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1x57 n ALA 84 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.35 -3.17 -2.59 0.00 5.02 -1.26 -4.94 118.16 107.87 1x57 n LYS 85 Ca 0.00 2.53 -0.19 0.00 -2.02 0.00 0.00 58.31 58.63 1x57 n LYS 85 Cb 0.00 -3.72 0.02 0.00 -0.02 0.00 0.00 35.03 31.30 1x57 n LYS 85 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x57 n SER 86 N -4.26 -2.85 0.00 4.39 7.64 -1.26 -4.90 113.62 112.38 1x57 n SER 86 Ca -0.08 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.59 1x57 n SER 86 Cb 0.66 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 87 N -0.37 -1.81 3.75 0.23 0.00 -1.26 -5.16 105.19 100.57 1x57 n GLY 87 Ca -0.08 0.74 -0.36 0.00 0.00 0.00 0.00 46.02 46.31 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 3.01 0.21 1.61 0.04 -1.26 -5.04 135.00 133.57 1x57 s PRO 88 Ca 0.00 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.73 1x57 s PRO 88 Cb 0.00 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.59 1x57 s PRO 88 CO 0.00 -1.19 0.58 -1.12 0.04 0.00 0.00 177.00 175.32 1x57 s SER 89 N -1.50 -0.30 0.34 6.66 0.01 -1.26 -5.19 113.70 112.47 1x57 s SER 89 Ca 0.76 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.60 1x57 s SER 89 Cb -0.32 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.48 1x57 s SER 89 CO 0.35 -1.12 0.07 -0.94 0.41 0.00 0.00 173.24 172.00 1x57 s SER 90 N -2.87 2.51 0.00 2.44 1.04 -1.26 -5.27 113.70 110.28 1x57 s SER 90 Ca 0.09 -1.43 0.16 0.00 0.48 0.00 0.00 55.95 55.25 1x57 s SER 90 Cb -0.02 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.24 1x57 s SER 90 CO -0.01 -0.66 0.99 0.61 0.98 0.00 0.00 173.24 175.15