#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 -0.68 -0.33 1.61 2.88 -1.26 -5.17 113.62 110.67 1x57 n SER 2 Ca 0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x57 n SER 2 Cb 0.00 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -3.09 -2.78 0.00 -3.46 7.64 -1.26 -5.06 113.62 105.60 1x57 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x57 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -0.86 3.73 0.23 0.00 -1.26 -5.13 105.19 101.90 1x57 n GLY 4 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1x57 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x57 s SER 5 N -4.00 4.56 0.31 1.61 1.04 -1.26 -5.08 113.70 110.89 1x57 s SER 5 Ca 0.00 2.36 0.06 0.00 0.48 0.00 0.00 55.95 58.85 1x57 s SER 5 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1x57 s SER 5 CO 0.00 -2.02 0.29 -1.20 0.98 0.00 0.00 173.24 171.29 1x57 n SER 6 N -2.34 -0.73 -2.40 7.02 7.64 -1.26 -5.10 113.62 116.45 1x57 n SER 6 Ca 0.13 -3.04 -0.00 0.00 1.01 0.00 0.00 58.87 56.97 1x57 n SER 6 Cb 0.50 1.67 0.05 0.00 -1.01 0.00 0.00 64.21 65.42 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 7 N -0.59 1.60 3.66 0.23 0.00 -1.26 -5.14 105.19 103.69 1x57 n GLY 7 Ca 0.07 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 1x57 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x57 s ASP 8 N -2.56 2.73 -0.05 1.61 2.15 -1.26 -5.05 116.67 114.24 1x57 s ASP 8 Ca 0.21 1.49 -0.01 0.00 0.43 0.00 0.00 52.55 54.68 1x57 s ASP 8 Cb 0.34 -2.16 0.03 0.00 -0.30 0.00 0.00 42.92 40.82 1x57 s ASP 8 CO -0.08 -3.11 0.01 -0.60 -0.17 0.00 0.00 175.17 171.22 1x57 s ARG 9 N -4.82 0.40 -0.20 4.34 6.06 -1.26 -5.10 118.95 118.36 1x57 s ARG 9 Ca 0.65 0.14 -0.29 0.00 -2.50 0.00 0.00 55.73 53.73 1x57 s ARG 9 Cb -0.20 -0.73 -0.03 0.00 0.06 0.00 0.00 34.95 34.05 1x57 s ARG 9 CO 0.59 -0.25 1.59 0.08 -2.50 0.00 0.00 175.30 174.81 1x57 s VAL 10 N 1.69 3.73 0.08 7.11 1.01 -1.26 -3.87 120.40 128.88 1x57 s VAL 10 Ca -0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.82 1x57 s VAL 10 Cb -0.13 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1x57 s VAL 10 CO -0.03 -0.27 -0.06 -0.89 0.00 0.00 0.00 175.10 173.84 1x57 s THR 11 N 4.98 0.61 0.35 3.92 2.01 -0.82 -4.97 115.64 121.72 1x57 s THR 11 Ca 0.70 -1.75 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1x57 s THR 11 Cb -0.25 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1x57 s THR 11 CO 0.28 -0.79 0.00 -0.11 -0.69 0.00 0.00 174.62 173.32 1x57 n LEU 12 N 0.28 -0.65 0.18 4.42 7.94 -1.26 -2.38 117.00 125.53 1x57 n LEU 12 Ca -0.14 1.47 -0.13 0.00 -1.11 0.00 0.00 56.01 56.09 1x57 n LEU 12 Cb 0.60 -3.55 -0.08 0.00 0.53 0.00 0.00 43.42 40.92 1x57 n LEU 12 CO 0.28 -2.47 0.53 -0.33 -1.11 0.00 0.00 177.39 174.29 1x57 h GLU 13 N -1.06 -0.46 0.30 1.96 3.07 -1.99 -2.82 114.58 113.59 1x57 h GLU 13 Ca -0.05 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1x57 h GLU 13 Cb 1.04 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1x57 h GLU 13 CO 0.03 -0.15 -0.40 0.28 -1.40 0.00 0.00 179.01 177.38 1x57 h VAL 14 N -0.80 0.00 -0.29 3.13 2.07 -1.87 -0.01 116.25 118.49 1x57 h VAL 14 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1x57 h VAL 14 Cb 0.52 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1x57 h VAL 14 CO 0.08 0.00 -0.16 1.23 0.02 0.00 0.00 177.57 178.74 1x57 h GLY 15 N -0.73 0.06 0.91 2.17 0.00 -1.64 0.13 103.07 103.97 1x57 h GLY 15 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1x57 h GLY 15 CO -0.10 -0.17 0.60 1.70 0.00 0.00 0.00 176.54 178.57 1x57 h LYS 16 N -0.12 1.14 -0.24 4.80 1.63 -1.20 0.17 116.57 122.75 1x57 h LYS 16 Ca 0.15 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.72 1x57 h LYS 16 Cb 0.36 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1x57 h LYS 16 CO -0.37 0.75 -0.52 0.28 -3.45 0.00 0.00 179.45 176.14 1x57 h VAL 17 N 1.17 1.30 0.48 2.00 2.07 -0.46 -2.25 116.25 120.57 1x57 h VAL 17 Ca 0.36 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1x57 h VAL 17 Cb -0.04 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1x57 h VAL 17 CO -0.11 0.55 -0.36 0.40 0.02 0.00 0.00 177.57 178.07 1x57 h ILE 18 N 0.54 0.26 0.04 4.57 2.04 -0.03 -0.14 117.51 124.80 1x57 h ILE 18 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1x57 h ILE 18 Cb 1.09 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1x57 h ILE 18 CO 0.11 0.00 -0.28 -0.61 0.00 0.00 0.00 178.15 177.37 1x57 h GLN 19 N -0.83 -0.43 0.16 2.37 4.15 -1.02 -0.31 115.11 119.20 1x57 h GLN 19 Ca -0.05 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.41 1x57 h GLN 19 Cb 0.70 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.45 1x57 h GLN 19 CO 0.01 -0.29 -0.49 1.96 -1.93 0.00 0.00 178.83 178.09 1x57 h GLN 20 N -0.45 -0.71 0.00 1.69 4.20 -1.34 -1.29 115.11 117.21 1x57 h GLN 20 Ca 0.05 0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1x57 h GLN 20 Cb 0.51 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1x57 h GLN 20 CO -0.21 -0.47 -0.40 0.78 -0.67 0.00 0.00 178.83 177.85 1x57 h GLY 21 N -0.74 0.00 0.96 3.46 0.00 -0.74 0.67 103.07 106.67 1x57 h GLY 21 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1x57 h GLY 21 CO -0.24 0.00 -0.46 3.21 0.00 0.00 0.00 176.54 179.04 1x57 h ARG 22 N 0.00 -1.21 -0.98 4.80 3.08 -0.94 -3.10 114.38 116.03 1x57 h ARG 22 Ca -0.00 0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1x57 h ARG 22 Cb 0.85 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 1x57 h ARG 22 CO 0.05 -0.80 0.63 1.96 -1.07 0.00 0.00 179.97 180.74 1x57 h GLN 23 N -1.25 1.09 -0.97 0.04 4.20 -0.48 -0.17 115.11 117.58 1x57 h GLN 23 Ca -0.12 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.55 1x57 h GLN 23 Cb 0.97 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 1x57 h GLN 23 CO 0.18 0.72 0.64 0.77 -0.67 0.00 0.00 178.83 180.47 1x57 h SER 24 N 1.13 1.07 0.27 1.46 0.02 -0.95 0.12 113.55 116.67 1x57 h SER 24 Ca 0.42 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1x57 h SER 24 Cb 0.19 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1x57 h SER 24 CO -0.17 0.74 -0.02 0.29 -1.14 0.00 0.00 176.83 176.53 1x57 n LYS 25 N -4.46 0.77 -0.96 3.45 5.02 -0.53 -4.90 118.16 116.55 1x57 n LYS 25 Ca 0.13 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1x57 n LYS 25 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 1.16 0.37 3.82 0.72 0.00 0.43 -4.99 105.19 106.70 1x57 n GLY 26 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 4.19 0.92 0.99 1.43 -0.19 -4.90 118.68 121.12 1x57 s LEU 27 Ca 0.00 1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 1x57 s LEU 27 Cb 0.00 -3.96 0.17 0.00 0.03 0.00 0.00 46.19 42.43 1x57 s LEU 27 CO 0.00 -0.12 1.28 0.42 0.23 0.00 0.00 176.35 178.16 1x57 s THR 28 N -1.79 2.01 0.17 5.49 -4.23 -1.26 -4.22 115.64 111.82 1x57 s THR 28 Ca 0.51 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1x57 s THR 28 Cb -0.14 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.80 1x57 s THR 28 CO 0.19 0.00 1.72 1.56 -0.54 0.00 0.00 174.62 177.55 1x57 h GLN 29 N -1.47 0.93 -0.82 3.99 4.20 -1.97 -2.59 115.11 117.37 1x57 h GLN 29 Ca -0.45 -0.18 0.09 0.00 0.06 0.00 0.00 58.65 58.17 1x57 h GLN 29 Cb 1.26 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.82 1x57 h GLN 29 CO 0.44 0.81 0.48 -0.22 -0.67 0.00 0.00 178.83 179.67 1x57 h LYS 30 N 0.86 0.79 -0.67 1.46 3.11 -1.94 0.50 116.57 120.69 1x57 h LYS 30 Ca 0.20 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.91 1x57 h LYS 30 Cb 0.24 -0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.27 1x57 h LYS 30 CO -0.01 0.53 0.09 -0.44 -2.81 0.00 0.00 179.45 176.81 1x57 h ASP 31 N 0.82 1.07 -0.04 4.20 3.32 -1.89 -0.94 116.42 122.95 1x57 h ASP 31 Ca 0.39 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1x57 h ASP 31 Cb 0.32 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1x57 h ASP 31 CO -0.23 1.07 0.02 0.25 -1.72 0.00 0.00 179.24 178.63 1x57 h LEU 32 N 1.03 0.06 0.12 1.55 7.12 -0.97 0.08 115.31 124.30 1x57 h LEU 32 Ca 0.20 -0.13 0.02 0.00 0.13 0.00 0.00 57.88 58.10 1x57 h LEU 32 Cb 0.46 -0.01 -0.05 0.00 -0.53 0.00 0.00 40.66 40.53 1x57 h LEU 32 CO 0.02 0.17 -0.41 0.00 -0.13 0.00 0.00 178.44 178.09 1x57 h ALA 33 N 0.89 -0.71 -0.37 1.25 0.00 -0.62 -0.75 119.26 118.95 1x57 h ALA 33 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x57 h ALA 33 Cb 0.13 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1x57 h ALA 33 CO -0.00 -0.97 0.15 1.15 0.00 0.00 0.00 179.25 179.58 1x57 h THR 34 N -0.64 1.14 0.00 0.00 2.02 -1.17 0.23 112.91 114.50 1x57 h THR 34 Ca 0.02 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1x57 h THR 34 Cb 0.67 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1x57 h THR 34 CO -0.24 0.17 0.00 0.11 0.37 0.00 0.00 175.52 175.93 1x57 h LYS 35 N 0.53 0.00 0.00 6.66 1.57 0.48 -1.65 116.57 124.16 1x57 h LYS 35 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1x57 h LYS 35 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1x57 h LYS 35 CO -0.01 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.31 1x57 n ILE 36 N -2.34 0.63 -2.57 1.86 -5.35 -0.43 -4.79 119.36 106.37 1x57 n ILE 36 Ca -0.00 -0.80 -0.18 0.00 -0.27 0.00 0.00 62.75 61.50 1x57 n ILE 36 Cb 0.10 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 -0.31 -4.94 -4.08 7.28 5.15 0.14 -5.02 115.26 113.47 1x57 n ASN 37 Ca 0.00 0.01 -0.17 0.00 -0.60 0.00 0.00 54.58 53.82 1x57 n ASN 37 Cb 0.17 -4.12 0.02 0.00 -0.53 0.00 0.00 39.78 35.32 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 -3.11 0.82 -3.06 1.20 -0.58 0.58 -4.93 120.64 111.57 1x57 n GLU 38 Ca -0.17 -2.39 -0.35 0.00 -0.42 0.00 0.00 57.16 53.82 1x57 n GLU 38 Cb 0.64 0.08 -0.06 0.00 -0.57 0.00 0.00 31.44 31.52 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 -3.75 4.25 0.60 3.49 1.02 -1.26 -3.86 119.74 120.23 1x57 s LYS 39 Ca 0.32 0.90 0.39 0.00 0.02 0.00 0.00 55.97 57.59 1x57 s LYS 39 Cb -0.03 -2.76 1.88 0.00 -0.52 0.00 0.00 37.83 36.40 1x57 s LYS 39 CO 0.20 0.32 2.16 -1.00 -0.92 0.00 0.00 175.35 176.12 1x57 h PRO 40 N 3.13 0.00 -0.22 -1.68 0.13 -1.88 -2.74 132.00 128.73 1x57 h PRO 40 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1x57 h PRO 40 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x57 h PRO 40 CO 0.65 0.00 0.06 0.37 -0.23 0.00 0.00 178.00 178.85 1x57 h GLN 41 N 0.00 0.36 -0.06 0.86 5.75 -1.95 -3.04 115.11 117.02 1x57 h GLN 41 Ca 0.00 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.31 1x57 h GLN 41 Cb 0.25 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1x57 h GLN 41 CO 0.00 0.46 -0.46 -0.39 -2.65 0.00 0.00 178.83 175.79 1x57 h VAL 42 N 0.18 1.33 -0.39 2.39 -1.51 -1.90 -1.83 116.25 114.52 1x57 h VAL 42 Ca 0.07 -1.63 -0.04 0.00 -1.23 0.00 0.00 66.70 63.87 1x57 h VAL 42 Cb 0.26 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1x57 h VAL 42 CO 0.00 0.48 0.08 0.40 -1.23 0.00 0.00 177.57 177.30 1x57 h ILE 43 N 0.12 1.23 -0.23 7.19 1.08 -1.57 0.20 117.51 125.54 1x57 h ILE 43 Ca 0.01 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.65 1x57 h ILE 43 Cb 0.87 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1x57 h ILE 43 CO 0.07 0.28 0.07 0.00 -0.69 0.00 0.00 178.15 177.87 1x57 h ALA 44 N 0.94 1.69 0.62 1.87 0.00 -1.40 -1.59 119.26 121.39 1x57 h ALA 44 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1x57 h ALA 44 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x57 h ALA 44 CO 0.00 0.24 -0.30 0.22 0.00 0.00 0.00 179.25 179.42 1x57 h ASP 45 N 0.32 -0.70 -0.91 0.00 3.58 -0.44 -3.23 116.42 115.04 1x57 h ASP 45 Ca 0.08 -0.02 0.20 0.00 0.42 0.00 0.00 57.03 57.71 1x57 h ASP 45 Cb 0.11 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 1x57 h ASP 45 CO -0.01 -0.39 0.60 1.88 -2.88 0.00 0.00 179.24 178.44 1x57 h TYR 46 N -1.00 0.61 0.00 0.28 -1.99 -0.22 0.29 116.97 114.94 1x57 h TYR 46 Ca -0.08 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 1x57 h TYR 46 Cb 0.68 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1x57 h TYR 46 CO -0.00 0.16 -0.18 0.93 -0.00 0.00 0.00 178.16 179.07 1x57 h GLU 47 N 0.46 0.00 0.06 4.88 5.08 -1.36 -1.08 114.58 122.62 1x57 h GLU 47 Ca 0.48 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.58 1x57 h GLU 47 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1x57 h GLU 47 CO -0.20 0.18 -1.29 1.03 -1.00 0.00 0.00 179.01 177.72 1x57 h SER 48 N 0.00 0.21 -0.38 1.42 0.87 -0.63 -2.18 113.55 112.86 1x57 h SER 48 Ca -0.00 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1x57 h SER 48 Cb 0.53 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1x57 h SER 48 CO 0.02 1.21 -0.00 0.61 -0.53 0.00 0.00 176.83 178.15 1x57 n GLY 49 N 1.51 0.59 0.25 5.77 0.00 0.68 -4.66 105.19 109.33 1x57 n GLY 49 Ca -0.09 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.00 -0.55 -6.65 1.61 3.08 -1.82 -3.45 114.38 106.60 1x57 h ARG 50 Ca -0.00 0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.51 1x57 h ARG 50 Cb 1.00 0.12 0.10 0.00 0.08 0.00 0.00 29.97 31.27 1x57 h ARG 50 CO 0.00 -0.36 0.51 0.00 -1.07 0.00 0.00 179.97 179.05 1x57 n ALA 51 N -2.74 1.06 -2.32 0.04 0.00 -1.26 -4.94 120.51 110.35 1x57 n ALA 51 Ca -0.07 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1x57 n ALA 51 Cb 0.22 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1x57 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x57 s ILE 52 N -0.67 4.03 -0.17 0.00 1.01 -1.26 -4.90 121.20 119.23 1x57 s ILE 52 Ca 0.61 1.20 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 1x57 s ILE 52 Cb -0.62 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 1x57 s ILE 52 CO 0.57 -0.31 1.72 -2.16 0.00 0.00 0.00 174.94 174.76 1x57 s PRO 53 N 4.09 3.81 -0.02 2.79 0.04 -1.26 -4.96 135.00 139.50 1x57 s PRO 53 Ca 0.61 1.87 -0.08 0.00 0.04 0.00 0.00 61.00 63.43 1x57 s PRO 53 Cb -0.21 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 1x57 s PRO 53 CO 0.23 -1.28 0.27 1.21 0.04 0.00 0.00 177.00 177.46 1x57 s ASN 54 N 4.56 6.54 0.26 6.66 2.47 -1.26 -4.95 114.94 129.22 1x57 s ASN 54 Ca 0.76 0.63 -0.05 0.00 0.42 0.00 0.00 52.86 54.63 1x57 s ASN 54 Cb -0.29 -2.12 0.31 0.00 -1.45 0.00 0.00 41.25 37.70 1x57 s ASN 54 CO 0.31 0.30 1.91 0.78 -3.72 0.00 0.00 177.10 176.68 1x57 h ASN 55 N 4.35 1.06 -0.01 -4.21 4.21 -1.98 0.99 115.58 120.00 1x57 h ASN 55 Ca -0.51 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 56.94 1x57 h ASN 55 Cb 1.21 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 38.14 1x57 h ASN 55 CO 0.63 0.81 0.01 1.56 -1.29 0.00 0.00 177.43 179.15 1x57 h GLN 56 N 1.23 0.00 0.05 0.81 4.20 -2.01 -2.00 115.11 117.39 1x57 h GLN 56 Ca 0.32 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.68 1x57 h GLN 56 Cb -0.07 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 1x57 h GLN 56 CO -0.06 0.00 -1.98 0.28 -0.67 0.00 0.00 178.83 176.39 1x57 n VAL 57 N -4.03 1.63 -0.22 -0.54 0.31 -0.30 -4.09 118.33 111.08 1x57 n VAL 57 Ca -0.03 -0.44 0.03 0.00 -0.01 0.00 0.00 64.34 63.89 1x57 n VAL 57 Cb 0.09 -1.77 0.14 0.00 -0.91 0.00 0.00 33.84 31.39 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 -0.36 -0.07 -1.00 7.52 3.38 -0.69 0.77 115.31 124.86 1x57 h LEU 58 Ca -0.48 0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1x57 h LEU 58 Cb 1.77 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 1x57 h LEU 58 CO -0.09 -0.05 0.66 1.23 0.09 0.00 0.00 178.44 180.28 1x57 h GLY 59 N 0.22 1.45 1.00 0.83 0.00 -1.57 -0.59 103.07 104.42 1x57 h GLY 59 Ca 0.36 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1x57 h GLY 59 CO -0.49 0.45 0.43 0.50 0.00 0.00 0.00 176.54 177.43 1x57 h LYS 60 N 1.29 0.94 -0.32 4.80 1.57 -1.04 -2.52 116.57 121.29 1x57 h LYS 60 Ca 0.39 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1x57 h LYS 60 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1x57 h LYS 60 CO -0.11 0.66 -0.22 0.82 -0.57 0.00 0.00 179.45 180.02 1x57 h ILE 61 N 0.95 1.27 -0.28 1.86 2.04 -0.59 -1.74 117.51 121.01 1x57 h ILE 61 Ca 0.25 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1x57 h ILE 61 Cb -0.05 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1x57 h ILE 61 CO -0.05 0.41 0.14 -0.33 0.00 0.00 0.00 178.15 178.33 1x57 h GLU 62 N 0.53 0.29 0.00 2.37 5.08 -0.72 -0.66 114.58 121.47 1x57 h GLU 62 Ca 0.08 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x57 h GLU 62 Cb 0.67 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1x57 h GLU 62 CO 0.05 0.19 -0.02 0.00 -1.00 0.00 0.00 179.01 178.24 1x57 h ARG 63 N 0.30 0.00 0.12 2.33 3.08 -1.17 0.24 114.38 119.28 1x57 h ARG 63 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1x57 h ARG 63 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x57 h ARG 63 CO -0.08 0.02 -0.06 0.00 -1.07 0.00 0.00 179.97 178.78 1x57 h ALA 64 N 1.98 -0.17 0.00 0.04 0.00 -0.21 -3.36 119.26 117.55 1x57 h ALA 64 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x57 h ALA 64 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x57 h ALA 64 CO 0.00 -0.35 -1.57 0.44 0.00 0.00 0.00 179.25 177.78 1x57 n ILE 65 N -4.94 0.00 -1.86 0.00 -5.35 -1.03 -5.00 119.36 101.18 1x57 n ILE 65 Ca -0.09 -0.28 -0.04 0.00 -0.27 0.00 0.00 62.75 62.07 1x57 n ILE 65 Cb 0.26 0.43 -0.01 0.00 -1.74 0.00 0.00 39.64 38.58 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 1.36 0.32 3.36 3.28 0.00 0.82 -5.00 105.19 109.34 1x57 n GLY 66 Ca -0.01 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.04 2.29 0.42 0.99 1.43 -1.18 -2.36 118.68 119.23 1x57 s LEU 67 Ca 0.00 -1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 51.64 1x57 s LEU 67 Cb 0.00 -0.39 -0.08 0.00 0.03 0.00 0.00 46.19 45.75 1x57 s LEU 67 CO 0.00 -0.46 1.16 -0.54 0.23 0.00 0.00 176.35 176.74 1x57 s LYS 68 N -3.82 3.94 -0.09 1.70 1.02 0.10 -4.32 119.74 118.28 1x57 s LYS 68 Ca 0.29 1.80 0.12 0.00 0.02 0.00 0.00 55.97 58.21 1x57 s LYS 68 Cb 0.05 -2.56 0.22 0.00 -0.52 0.00 0.00 37.83 35.02 1x57 s LYS 68 CO 0.10 -0.41 1.13 1.28 -0.92 0.00 0.00 175.35 176.53 1x57 n LEU 69 N -0.15 2.39 -3.97 3.17 7.99 -1.26 -0.96 117.00 124.22 1x57 n LEU 69 Ca 0.05 -2.69 -0.09 0.00 -0.01 0.00 0.00 56.01 53.28 1x57 n LEU 69 Cb 0.47 -0.29 -0.08 0.00 -0.11 0.00 0.00 43.42 43.41 1x57 n LEU 69 CO 0.49 0.64 -0.15 -0.13 -1.51 0.00 0.00 177.39 176.73 1x57 s ARG 70 N -2.20 0.90 0.23 3.23 0.52 -1.26 -4.79 118.95 115.58 1x57 s ARG 70 Ca 0.22 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 1x57 s ARG 70 Cb 0.19 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.97 1x57 s ARG 70 CO 0.03 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 175.48 1x57 n GLY 71 N -0.08 -2.18 0.24 -3.53 0.00 -1.26 -3.10 105.19 95.29 1x57 n GLY 71 Ca -0.11 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.70 1x57 n GLY 71 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x57 h LYS 72 N -0.67 0.00 -0.76 1.61 3.11 -2.02 -3.01 116.57 114.82 1x57 h LYS 72 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1x57 h LYS 72 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1x57 h LYS 72 CO 0.02 0.18 0.00 -0.25 -2.81 0.00 0.00 179.45 176.59 1x57 n ASP 73 N -3.56 0.86 -4.55 4.20 8.00 -1.26 -4.89 116.55 115.34 1x57 n ASP 73 Ca -0.01 -1.35 -0.37 0.00 0.71 0.00 0.00 54.79 53.77 1x57 n ASP 73 Cb 0.32 -0.34 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 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 0.23 2.82 -0.26 0.53 3.06 -1.14 -2.57 119.36 122.03 1x57 n ILE 74 Ca 0.00 -0.44 0.00 0.00 -2.50 0.00 0.00 62.75 59.81 1x57 n ILE 74 Cb 0.19 -0.96 0.00 0.00 0.54 0.00 0.00 39.64 39.41 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 1.41 1.49 3.78 4.50 0.00 -0.13 -4.90 105.19 111.34 1x57 n GLY 75 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 3.62 0.73 1.61 -0.14 -1.06 -4.71 119.74 119.67 1x57 s LYS 76 Ca 0.00 1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 56.11 1x57 s LYS 76 Cb 0.00 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 33.99 1x57 s LYS 76 CO 0.00 -0.63 1.09 -1.25 -0.76 0.00 0.00 175.35 173.80 1x57 s PRO 77 N -3.02 2.55 -0.09 -1.68 0.04 -1.26 0.00 135.00 131.54 1x57 s PRO 77 Ca 0.68 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 1x57 s PRO 77 Cb -0.24 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1x57 s PRO 77 CO 0.28 -1.42 0.03 0.96 0.04 0.00 0.00 177.00 176.89 1x57 s ILE 78 N -2.80 4.53 -1.28 0.56 -4.36 -1.00 -4.63 121.20 112.22 1x57 s ILE 78 Ca 0.62 -0.16 -0.09 0.00 -0.26 0.00 0.00 60.65 60.75 1x57 s ILE 78 Cb -0.17 -2.92 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 1x57 s ILE 78 CO 0.52 0.60 0.60 -0.62 0.24 0.00 0.00 174.94 176.29 1x57 n GLU 79 N 2.16 -2.57 -3.87 0.37 1.02 -1.26 -4.93 120.64 111.55 1x57 n GLU 79 Ca -0.19 0.44 -0.30 0.00 -0.02 0.00 0.00 57.16 57.09 1x57 n GLU 79 Cb 0.54 -4.39 -0.16 0.00 -0.02 0.00 0.00 31.44 27.42 1x57 n GLU 79 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x57 s LYS 80 N -6.29 1.27 0.00 3.49 2.36 -1.26 -5.03 119.74 114.28 1x57 s LYS 80 Ca 0.20 -0.99 0.00 0.00 -2.55 0.00 0.00 55.97 52.63 1x57 s LYS 80 Cb -0.07 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.25 1x57 s LYS 80 CO 0.87 -0.71 0.00 0.41 1.55 0.00 0.00 175.35 177.47 1x57 n GLY 81 N 4.73 0.38 3.57 5.54 0.00 -1.26 -4.96 105.19 113.19 1x57 n GLY 81 Ca -0.08 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.25 1x57 n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x57 n PRO 82 N -0.35 2.60 -3.06 1.61 -0.04 -1.26 -4.65 135.00 129.85 1x57 n PRO 82 Ca 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.49 1x57 n PRO 82 Cb 0.00 -3.58 -0.00 0.00 -0.04 0.00 0.00 33.50 29.87 1x57 n PRO 82 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1x57 s ARG 83 N 5.04 0.72 0.23 0.54 3.00 -1.26 -5.16 118.95 122.06 1x57 s ARG 83 Ca 0.59 -0.32 -0.15 0.00 -1.00 0.00 0.00 55.73 54.85 1x57 s ARG 83 Cb 0.02 0.06 0.01 0.00 0.00 0.00 0.00 34.95 35.05 1x57 s ARG 83 CO 0.10 -1.01 0.52 0.00 0.00 0.00 0.00 175.30 174.90 1x57 s ALA 84 N 1.73 -0.58 -0.00 6.12 0.00 -1.26 -4.88 121.76 122.88 1x57 s ALA 84 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1x57 s ALA 84 Cb -0.02 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1x57 s ALA 84 CO -0.08 -0.86 0.91 0.36 0.00 0.00 0.00 175.76 176.10 1x57 n LYS 85 N -0.37 2.46 -4.39 0.00 -0.00 -1.26 -5.05 118.16 109.55 1x57 n LYS 85 Ca -0.05 -1.34 -0.19 0.00 -0.00 0.00 0.00 58.31 56.73 1x57 n LYS 85 Cb 0.62 -0.92 -0.10 0.00 -0.00 0.00 0.00 35.03 34.62 1x57 n LYS 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x57 s SER 86 N -0.84 1.85 0.00 -5.58 0.15 -1.26 -5.07 113.70 102.95 1x57 s SER 86 Ca 0.00 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.27 1x57 s SER 86 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1x57 s SER 86 CO 0.00 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1x57 n GLY 87 N -0.59 0.94 3.69 9.45 0.00 -1.26 -5.15 105.19 112.27 1x57 n GLY 87 Ca -0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.19 -0.65 0.18 1.61 0.04 -1.26 -5.12 135.00 129.62 1x57 s PRO 88 Ca 0.00 -0.14 -0.04 0.00 0.04 0.00 0.00 61.00 60.86 1x57 s PRO 88 Cb 0.00 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1x57 s PRO 88 CO 0.00 -3.32 0.18 -1.54 0.04 0.00 0.00 177.00 172.36 1x57 s SER 89 N -4.15 0.15 0.00 6.66 1.04 -1.26 -5.07 113.70 111.07 1x57 s SER 89 Ca 0.71 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1x57 s SER 89 Cb -0.08 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.44 1x57 s SER 89 CO 0.55 -0.85 0.82 -0.24 0.98 0.00 0.00 173.24 174.50 1x57 n SER 90 N -0.22 0.01 0.00 7.02 2.88 -1.26 -5.34 113.62 116.71 1x57 n SER 90 Ca -0.02 -1.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 1x57 n SER 90 Cb 0.64 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42